smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc2nc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160313846 366993831 /nfs/dbraw/zinc/99/38/31/366993831.db2.gz MEYHHPOKSUWWBG-NOLJZWGESA-N 2 2 286.423 2.461 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn21 ZINC000160313846 366993835 /nfs/dbraw/zinc/99/38/35/366993835.db2.gz MEYHHPOKSUWWBG-NOLJZWGESA-N 2 2 286.423 2.461 20 70 CEIDLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@H+](C)C1CC1 ZINC000217549934 370196362 /nfs/dbraw/zinc/19/63/62/370196362.db2.gz KWRPVOBNYWOCGE-QWHCGFSZSA-N 2 2 262.397 2.396 20 70 CEIDLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)[N@@H+](C)C1CC1 ZINC000217549934 370196371 /nfs/dbraw/zinc/19/63/71/370196371.db2.gz KWRPVOBNYWOCGE-QWHCGFSZSA-N 2 2 262.397 2.396 20 70 CEIDLP C[C@@H]1CCN(CCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000159863541 162314686 /nfs/dbraw/zinc/31/46/86/162314686.db2.gz PDXVOMUTXYEHLG-QGZVFWFLSA-N 2 2 298.434 2.480 20 70 CEIDLP C[C@@H]1CCN(CCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000159863541 162314687 /nfs/dbraw/zinc/31/46/87/162314687.db2.gz PDXVOMUTXYEHLG-QGZVFWFLSA-N 2 2 298.434 2.480 20 70 CEIDLP CC[N@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000217503561 153296698 /nfs/dbraw/zinc/29/66/98/153296698.db2.gz YQTZGDHBLBMEGH-UHFFFAOYSA-N 3 2 288.439 2.124 20 70 CEIDLP CC[N@@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000217503561 153296702 /nfs/dbraw/zinc/29/67/02/153296702.db2.gz YQTZGDHBLBMEGH-UHFFFAOYSA-N 3 2 288.439 2.124 20 70 CEIDLP CC[NH+](CC)[C@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000160876672 312642490 /nfs/dbraw/zinc/64/24/90/312642490.db2.gz XNMCGIXUEQBRAE-AWEZNQCLSA-N 2 2 272.396 2.250 20 70 CEIDLP C(C[NH+]1CCCCC1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000161416797 518385670 /nfs/dbraw/zinc/38/56/70/518385670.db2.gz JXIFPDXUFXQYAW-GJZGRUSLSA-N 2 2 284.469 2.069 20 70 CEIDLP C(C[NH+]1CCCCC1)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000161416797 518385678 /nfs/dbraw/zinc/38/56/78/518385678.db2.gz JXIFPDXUFXQYAW-GJZGRUSLSA-N 2 2 284.469 2.069 20 70 CEIDLP CCS[C@H]1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000159860358 529233351 /nfs/dbraw/zinc/23/33/51/529233351.db2.gz STUQEOMBIDKMRE-OLZOCXBDSA-N 2 2 253.415 2.489 20 70 CEIDLP CCS[C@H]1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000159860358 529233354 /nfs/dbraw/zinc/23/33/54/529233354.db2.gz STUQEOMBIDKMRE-OLZOCXBDSA-N 2 2 253.415 2.489 20 70 CEIDLP CCCC[N@H+](C)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159711905 366941399 /nfs/dbraw/zinc/94/13/99/366941399.db2.gz NJBYFLFVAUWHTB-UHFFFAOYSA-N 2 2 294.447 2.205 20 70 CEIDLP CCCC[N@@H+](C)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000159711905 366941401 /nfs/dbraw/zinc/94/14/01/366941401.db2.gz NJBYFLFVAUWHTB-UHFFFAOYSA-N 2 2 294.447 2.205 20 70 CEIDLP CN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@H](C[NH3+])C1CC1 ZINC000159999350 162320677 /nfs/dbraw/zinc/32/06/77/162320677.db2.gz KJHRZWLPVKWOTH-CYBMUJFWSA-N 2 2 278.787 2.157 20 70 CEIDLP c1cn(CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c[nH+]1 ZINC000159801655 366949778 /nfs/dbraw/zinc/94/97/78/366949778.db2.gz YNPBDAUIOFNHDS-HNNXBMFYSA-N 2 2 299.374 2.491 20 70 CEIDLP c1cn(CC[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c[nH+]1 ZINC000159801655 366949784 /nfs/dbraw/zinc/94/97/84/366949784.db2.gz YNPBDAUIOFNHDS-HNNXBMFYSA-N 2 2 299.374 2.491 20 70 CEIDLP CO[C@@H]1CC[N@H+](CCSc2ccccc2)[C@H](C[NH3+])C1 ZINC000161170858 367064188 /nfs/dbraw/zinc/06/41/88/367064188.db2.gz FLQIMKZDQOGPRP-UONOGXRCSA-N 2 2 280.437 2.217 20 70 CEIDLP CO[C@@H]1CC[N@@H+](CCSc2ccccc2)[C@H](C[NH3+])C1 ZINC000161170858 367064194 /nfs/dbraw/zinc/06/41/94/367064194.db2.gz FLQIMKZDQOGPRP-UONOGXRCSA-N 2 2 280.437 2.217 20 70 CEIDLP C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000159762163 162314030 /nfs/dbraw/zinc/31/40/30/162314030.db2.gz FJLOBZVQJOLPTK-INIZCTEOSA-N 2 2 270.380 2.041 20 70 CEIDLP C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000159762163 162314033 /nfs/dbraw/zinc/31/40/33/162314033.db2.gz FJLOBZVQJOLPTK-INIZCTEOSA-N 2 2 270.380 2.041 20 70 CEIDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc[nH+]c2)C1 ZINC000159828287 162315445 /nfs/dbraw/zinc/31/54/45/162315445.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 3 2 290.455 2.470 20 70 CEIDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc[nH+]c2)C1 ZINC000159828287 162315446 /nfs/dbraw/zinc/31/54/46/162315446.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 3 2 290.455 2.470 20 70 CEIDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159828287 162315447 /nfs/dbraw/zinc/31/54/47/162315447.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 3 2 290.455 2.470 20 70 CEIDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159828287 162315450 /nfs/dbraw/zinc/31/54/50/162315450.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 3 2 290.455 2.470 20 70 CEIDLP CC[N@H+](C)C[C@@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000161396670 520248118 /nfs/dbraw/zinc/24/81/18/520248118.db2.gz FHBPSEBWAVSNMI-INIZCTEOSA-N 3 2 267.461 2.136 20 70 CEIDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000161396670 520248124 /nfs/dbraw/zinc/24/81/24/520248124.db2.gz FHBPSEBWAVSNMI-INIZCTEOSA-N 3 2 267.461 2.136 20 70 CEIDLP CC[NH+](C)C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161396670 520248131 /nfs/dbraw/zinc/24/81/31/520248131.db2.gz FHBPSEBWAVSNMI-INIZCTEOSA-N 3 2 267.461 2.136 20 70 CEIDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161396670 520248139 /nfs/dbraw/zinc/24/81/39/520248139.db2.gz FHBPSEBWAVSNMI-INIZCTEOSA-N 3 2 267.461 2.136 20 70 CEIDLP Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000159670883 366937323 /nfs/dbraw/zinc/93/73/23/366937323.db2.gz ZOSAEHKXXKPPSI-OAHLLOKOSA-N 2 2 274.408 2.451 20 70 CEIDLP Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000159670883 366937330 /nfs/dbraw/zinc/93/73/30/366937330.db2.gz ZOSAEHKXXKPPSI-OAHLLOKOSA-N 2 2 274.408 2.451 20 70 CEIDLP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000217664560 153297688 /nfs/dbraw/zinc/29/76/88/153297688.db2.gz XTPJACNDNINFCF-XHSDSOJGSA-N 3 2 267.461 2.229 20 70 CEIDLP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000217664560 153297690 /nfs/dbraw/zinc/29/76/90/153297690.db2.gz XTPJACNDNINFCF-XHSDSOJGSA-N 3 2 267.461 2.229 20 70 CEIDLP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000161457293 523707821 /nfs/dbraw/zinc/70/78/21/523707821.db2.gz CLSPPKUZRZRPHX-ZACQAIPSSA-N 2 2 296.455 2.131 20 70 CEIDLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000161457293 523707835 /nfs/dbraw/zinc/70/78/35/523707835.db2.gz CLSPPKUZRZRPHX-ZACQAIPSSA-N 2 2 296.455 2.131 20 70 CEIDLP CO[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H](C[NH3+])C1 ZINC000161011118 367050310 /nfs/dbraw/zinc/05/03/10/367050310.db2.gz UYVKLQBSUNJMAT-HZPDHXFCSA-N 2 2 262.397 2.242 20 70 CEIDLP CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H](C[NH3+])C1 ZINC000161011118 367050314 /nfs/dbraw/zinc/05/03/14/367050314.db2.gz UYVKLQBSUNJMAT-HZPDHXFCSA-N 2 2 262.397 2.242 20 70 CEIDLP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000159731350 162313626 /nfs/dbraw/zinc/31/36/26/162313626.db2.gz ZAFQDWCGSGWJSD-CQSZACIVSA-N 2 2 298.390 2.146 20 70 CEIDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000160881792 520254114 /nfs/dbraw/zinc/25/41/14/520254114.db2.gz QASFBCBCCKTHSI-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000160881792 520254117 /nfs/dbraw/zinc/25/41/17/520254117.db2.gz QASFBCBCCKTHSI-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160881792 520254121 /nfs/dbraw/zinc/25/41/21/520254121.db2.gz QASFBCBCCKTHSI-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160881792 520254126 /nfs/dbraw/zinc/25/41/26/520254126.db2.gz QASFBCBCCKTHSI-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592092 521720500 /nfs/dbraw/zinc/72/05/00/521720500.db2.gz UZFRDZJSPDBLPH-ZBFHGGJFSA-N 2 2 286.423 2.496 20 70 CEIDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592092 521720501 /nfs/dbraw/zinc/72/05/01/521720501.db2.gz UZFRDZJSPDBLPH-ZBFHGGJFSA-N 2 2 286.423 2.496 20 70 CEIDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592092 521720502 /nfs/dbraw/zinc/72/05/02/521720502.db2.gz UZFRDZJSPDBLPH-ZBFHGGJFSA-N 2 2 286.423 2.496 20 70 CEIDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592092 521720503 /nfs/dbraw/zinc/72/05/03/521720503.db2.gz UZFRDZJSPDBLPH-ZBFHGGJFSA-N 2 2 286.423 2.496 20 70 CEIDLP CC(C)([NH3+])CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000159942979 366961024 /nfs/dbraw/zinc/96/10/24/366961024.db2.gz NHBCBEAARFEKBB-UHFFFAOYSA-N 2 2 285.347 2.341 20 70 CEIDLP C[C@H]1C[C@@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110658 366975287 /nfs/dbraw/zinc/97/52/87/366975287.db2.gz BUXKMJQYMDPYNL-YOEHRIQHSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110658 366975293 /nfs/dbraw/zinc/97/52/93/366975293.db2.gz BUXKMJQYMDPYNL-YOEHRIQHSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@@H](NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110658 366975298 /nfs/dbraw/zinc/97/52/98/366975298.db2.gz BUXKMJQYMDPYNL-YOEHRIQHSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@@H](NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110658 366975303 /nfs/dbraw/zinc/97/53/03/366975303.db2.gz BUXKMJQYMDPYNL-YOEHRIQHSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H](O)C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000161124208 367059719 /nfs/dbraw/zinc/05/97/19/367059719.db2.gz UASVXGVTJLCGHM-LBPRGKRZSA-N 2 2 259.353 2.121 20 70 CEIDLP COc1cc(C)[nH+]c(CNCC2([NH+](C)C)CCCC2)c1 ZINC000160902215 522288326 /nfs/dbraw/zinc/28/83/26/522288326.db2.gz ZCKAOEFROJGUAE-UHFFFAOYSA-N 2 2 277.412 2.363 20 70 CEIDLP c1cn(CC[N@H+](C[C@H]2CCCO2)C2CCCC2)c[nH+]1 ZINC000159850098 366952814 /nfs/dbraw/zinc/95/28/14/366952814.db2.gz UQGVIHPOBILFJV-OAHLLOKOSA-N 2 2 263.385 2.307 20 70 CEIDLP c1cn(CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)c[nH+]1 ZINC000159850098 366952820 /nfs/dbraw/zinc/95/28/20/366952820.db2.gz UQGVIHPOBILFJV-OAHLLOKOSA-N 2 2 263.385 2.307 20 70 CEIDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160591005 367021069 /nfs/dbraw/zinc/02/10/69/367021069.db2.gz ZHEIUWPXWCWXHK-KGLIPLIRSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160591005 367021077 /nfs/dbraw/zinc/02/10/77/367021077.db2.gz ZHEIUWPXWCWXHK-KGLIPLIRSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160591005 367021085 /nfs/dbraw/zinc/02/10/85/367021085.db2.gz ZHEIUWPXWCWXHK-KGLIPLIRSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160591005 367021093 /nfs/dbraw/zinc/02/10/93/367021093.db2.gz ZHEIUWPXWCWXHK-KGLIPLIRSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160590743 367021448 /nfs/dbraw/zinc/02/14/48/367021448.db2.gz ZHEIUWPXWCWXHK-ZIAGYGMSSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160590743 367021454 /nfs/dbraw/zinc/02/14/54/367021454.db2.gz ZHEIUWPXWCWXHK-ZIAGYGMSSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160590743 367021460 /nfs/dbraw/zinc/02/14/60/367021460.db2.gz ZHEIUWPXWCWXHK-ZIAGYGMSSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160590743 367021464 /nfs/dbraw/zinc/02/14/64/367021464.db2.gz ZHEIUWPXWCWXHK-ZIAGYGMSSA-N 2 2 272.396 2.249 20 70 CEIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000161183587 367065282 /nfs/dbraw/zinc/06/52/82/367065282.db2.gz KXDZHYDPJCFCRW-AWEZNQCLSA-N 2 2 289.414 2.180 20 70 CEIDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000161183587 367065286 /nfs/dbraw/zinc/06/52/86/367065286.db2.gz KXDZHYDPJCFCRW-AWEZNQCLSA-N 2 2 289.414 2.180 20 70 CEIDLP CC[C@@H](C)[N@H+](C)CCNCc1cn2ccccc2[nH+]1 ZINC000218318738 370208278 /nfs/dbraw/zinc/20/82/78/370208278.db2.gz HQHHEEONUZMVSO-CYBMUJFWSA-N 2 2 260.385 2.154 20 70 CEIDLP CC[C@@H](C)[N@@H+](C)CCNCc1cn2ccccc2[nH+]1 ZINC000218318738 370208282 /nfs/dbraw/zinc/20/82/82/370208282.db2.gz HQHHEEONUZMVSO-CYBMUJFWSA-N 2 2 260.385 2.154 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000160038793 162324332 /nfs/dbraw/zinc/32/43/32/162324332.db2.gz KEBQNORBDRQCOM-ZFWWWQNUSA-N 2 2 277.412 2.441 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000160038793 162324335 /nfs/dbraw/zinc/32/43/35/162324335.db2.gz KEBQNORBDRQCOM-ZFWWWQNUSA-N 2 2 277.412 2.441 20 70 CEIDLP c1[nH+]c2ccccn2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000159807176 297431341 /nfs/dbraw/zinc/43/13/41/297431341.db2.gz VTUWHXBLSFLOSF-UHFFFAOYSA-N 2 2 284.407 2.395 20 70 CEIDLP Cn1c[nH+]cc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159406232 366909500 /nfs/dbraw/zinc/90/95/00/366909500.db2.gz KURWOZPBHSBYKU-UHFFFAOYSA-N 2 2 286.423 2.420 20 70 CEIDLP Cn1c[nH+]cc1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159406232 366909502 /nfs/dbraw/zinc/90/95/02/366909502.db2.gz KURWOZPBHSBYKU-UHFFFAOYSA-N 2 2 286.423 2.420 20 70 CEIDLP C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@@H](C)[NH+]1C ZINC000160190970 366980907 /nfs/dbraw/zinc/98/09/07/366980907.db2.gz IJQRBGPSUJVMNK-NXEZZACHSA-N 2 2 284.201 2.373 20 70 CEIDLP c1cn(C2CC[NH+](Cc3cnc4ccccn34)CC2)c[nH+]1 ZINC000160330036 366995508 /nfs/dbraw/zinc/99/55/08/366995508.db2.gz SOEZKBJLOFYTAK-UHFFFAOYSA-N 2 2 281.363 2.368 20 70 CEIDLP COC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000159915009 162319390 /nfs/dbraw/zinc/31/93/90/162319390.db2.gz JYJUULQPIKYQIF-ZIAGYGMSSA-N 2 2 277.412 2.232 20 70 CEIDLP CCOc1ccc(OCC[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159987181 162320777 /nfs/dbraw/zinc/32/07/77/162320777.db2.gz BTTGVKZRJQIUAW-MRXNPFEDSA-N 2 2 278.396 2.133 20 70 CEIDLP CCOc1ccc(OCC[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159987181 162320780 /nfs/dbraw/zinc/32/07/80/162320780.db2.gz BTTGVKZRJQIUAW-MRXNPFEDSA-N 2 2 278.396 2.133 20 70 CEIDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000160881662 520246639 /nfs/dbraw/zinc/24/66/39/520246639.db2.gz QASFBCBCCKTHSI-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nc3ccccn32)C1 ZINC000160881662 520246645 /nfs/dbraw/zinc/24/66/45/520246645.db2.gz QASFBCBCCKTHSI-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160881662 520246652 /nfs/dbraw/zinc/24/66/52/520246652.db2.gz QASFBCBCCKTHSI-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000160881662 520246660 /nfs/dbraw/zinc/24/66/60/520246660.db2.gz QASFBCBCCKTHSI-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1[nH+]c2ccccn2c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000160336405 344458430 /nfs/dbraw/zinc/45/84/30/344458430.db2.gz YZWBUJKWKLUFIF-CQSZACIVSA-N 2 2 272.396 2.169 20 70 CEIDLP Cc1[nH+]c2ccccn2c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000160336281 344458450 /nfs/dbraw/zinc/45/84/50/344458450.db2.gz YZWBUJKWKLUFIF-AWEZNQCLSA-N 2 2 272.396 2.169 20 70 CEIDLP CC[NH2+]CC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000161330014 367078015 /nfs/dbraw/zinc/07/80/15/367078015.db2.gz LIWCTLXBQQCWRQ-UHFFFAOYSA-N 2 2 271.202 2.457 20 70 CEIDLP CO[C@H]1CC[N@H+](Cc2ccc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000160974048 395062668 /nfs/dbraw/zinc/06/26/68/395062668.db2.gz IWKOTBNLCGXBDK-CVEARBPZSA-N 2 2 262.397 2.242 20 70 CEIDLP CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000160974048 395062670 /nfs/dbraw/zinc/06/26/70/395062670.db2.gz IWKOTBNLCGXBDK-CVEARBPZSA-N 2 2 262.397 2.242 20 70 CEIDLP C[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000159762304 162312122 /nfs/dbraw/zinc/31/21/22/162312122.db2.gz FJLOBZVQJOLPTK-MRXNPFEDSA-N 2 2 270.380 2.041 20 70 CEIDLP C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000159762304 162312128 /nfs/dbraw/zinc/31/21/28/162312128.db2.gz FJLOBZVQJOLPTK-MRXNPFEDSA-N 2 2 270.380 2.041 20 70 CEIDLP CC(=O)NC1CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000161290053 278088683 /nfs/dbraw/zinc/08/86/83/278088683.db2.gz KILKVWLARUKMHH-JCAIJIATSA-N 2 2 295.471 2.144 20 70 CEIDLP CC(=O)NC1CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000161290053 278088684 /nfs/dbraw/zinc/08/86/84/278088684.db2.gz KILKVWLARUKMHH-JCAIJIATSA-N 2 2 295.471 2.144 20 70 CEIDLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000217941061 280255421 /nfs/dbraw/zinc/25/54/21/280255421.db2.gz BTUQBVPILYDVHT-HZMVEIRTSA-N 3 2 281.488 2.425 20 70 CEIDLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCCC1 ZINC000217941061 280255423 /nfs/dbraw/zinc/25/54/23/280255423.db2.gz BTUQBVPILYDVHT-HZMVEIRTSA-N 3 2 281.488 2.425 20 70 CEIDLP CCCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160481376 520214307 /nfs/dbraw/zinc/21/43/07/520214307.db2.gz JAGVRKHSRUZOHC-CQSZACIVSA-N 2 2 282.428 2.136 20 70 CEIDLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCOC1 ZINC000161199486 522618628 /nfs/dbraw/zinc/61/86/28/522618628.db2.gz CFLXECIARSFLKR-ILXRZTDVSA-N 2 2 254.418 2.266 20 70 CEIDLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCOC1 ZINC000161199486 522618638 /nfs/dbraw/zinc/61/86/38/522618638.db2.gz CFLXECIARSFLKR-ILXRZTDVSA-N 2 2 254.418 2.266 20 70 CEIDLP COC(=O)C[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000161413022 523159753 /nfs/dbraw/zinc/15/97/53/523159753.db2.gz MAGFNENTIOUXKI-UHFFFAOYSA-N 2 2 282.428 2.280 20 70 CEIDLP COC(=O)C[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000161413022 523159767 /nfs/dbraw/zinc/15/97/67/523159767.db2.gz MAGFNENTIOUXKI-UHFFFAOYSA-N 2 2 282.428 2.280 20 70 CEIDLP C[N@@H+](Cc1cnc2ccccn12)C[C@H]1CCC[NH+](C)C1 ZINC000160458626 523500309 /nfs/dbraw/zinc/50/03/09/523500309.db2.gz OBYJFIWSLFKANQ-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP C[N@H+](Cc1cnc2ccccn12)C[C@H]1CCC[NH+](C)C1 ZINC000160458626 523500316 /nfs/dbraw/zinc/50/03/16/523500316.db2.gz OBYJFIWSLFKANQ-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP C[NH+](Cc1cnc2ccccn12)C[C@H]1CCC[N@H+](C)C1 ZINC000160458626 523500327 /nfs/dbraw/zinc/50/03/27/523500327.db2.gz OBYJFIWSLFKANQ-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP C[NH+](Cc1cnc2ccccn12)C[C@H]1CCC[N@@H+](C)C1 ZINC000160458626 523500338 /nfs/dbraw/zinc/50/03/38/523500338.db2.gz OBYJFIWSLFKANQ-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP CCCn1nccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000159988750 540109590 /nfs/dbraw/zinc/10/95/90/540109590.db2.gz INUSLHMRYLMGOF-UHFFFAOYSA-N 2 2 264.417 2.256 20 70 CEIDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000217646794 370198255 /nfs/dbraw/zinc/19/82/55/370198255.db2.gz MNPPPINGIRWAMS-KBPBESRZSA-N 2 2 276.380 2.117 20 70 CEIDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1O ZINC000217646794 370198263 /nfs/dbraw/zinc/19/82/63/370198263.db2.gz MNPPPINGIRWAMS-KBPBESRZSA-N 2 2 276.380 2.117 20 70 CEIDLP C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159741453 162312789 /nfs/dbraw/zinc/31/27/89/162312789.db2.gz DVDXCQDNZIUHJD-CYBMUJFWSA-N 2 2 270.323 2.457 20 70 CEIDLP C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159741453 162312792 /nfs/dbraw/zinc/31/27/92/162312792.db2.gz DVDXCQDNZIUHJD-CYBMUJFWSA-N 2 2 270.323 2.457 20 70 CEIDLP CC(C)C(=O)N1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161324453 519464243 /nfs/dbraw/zinc/46/42/43/519464243.db2.gz ZJMBWIJVOTUBTJ-UHFFFAOYSA-N 2 2 295.471 2.053 20 70 CEIDLP CC(C)C(=O)N1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161324453 519464252 /nfs/dbraw/zinc/46/42/52/519464252.db2.gz ZJMBWIJVOTUBTJ-UHFFFAOYSA-N 2 2 295.471 2.053 20 70 CEIDLP C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159759202 366946161 /nfs/dbraw/zinc/94/61/61/366946161.db2.gz PFNFQMSHLGTNBN-CQSZACIVSA-N 2 2 295.390 2.499 20 70 CEIDLP CCC(CC)(C[NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000161292263 367075972 /nfs/dbraw/zinc/07/59/72/367075972.db2.gz VUEYPVDXRQXYHJ-UHFFFAOYSA-N 2 2 288.395 2.024 20 70 CEIDLP CC(C)[N@H+](C)CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000218092744 370205346 /nfs/dbraw/zinc/20/53/46/370205346.db2.gz MUQLXHRKSHDOJL-UHFFFAOYSA-N 2 2 274.412 2.393 20 70 CEIDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000218092744 370205353 /nfs/dbraw/zinc/20/53/53/370205353.db2.gz MUQLXHRKSHDOJL-UHFFFAOYSA-N 2 2 274.412 2.393 20 70 CEIDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cn2ccccc2n1 ZINC000218211267 370207260 /nfs/dbraw/zinc/20/72/60/370207260.db2.gz GGRJMXYXLHVUHN-UHFFFAOYSA-N 2 2 260.385 2.154 20 70 CEIDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn2ccccc2n1 ZINC000218211267 370207263 /nfs/dbraw/zinc/20/72/63/370207263.db2.gz GGRJMXYXLHVUHN-UHFFFAOYSA-N 2 2 260.385 2.154 20 70 CEIDLP CO[C@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@@H](C[NH3+])C1 ZINC000160994759 277340649 /nfs/dbraw/zinc/34/06/49/277340649.db2.gz JTKNPJUEPISVMP-CVEARBPZSA-N 2 2 262.397 2.242 20 70 CEIDLP CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)[C@@H](C[NH3+])C1 ZINC000160994759 277340650 /nfs/dbraw/zinc/34/06/50/277340650.db2.gz JTKNPJUEPISVMP-CVEARBPZSA-N 2 2 262.397 2.242 20 70 CEIDLP CC[NH+]1CCC([N@H+](C)CCC[NH+]2CCCCC2)CC1 ZINC000161400261 528971289 /nfs/dbraw/zinc/97/12/89/528971289.db2.gz UIILEYGKJYISMQ-UHFFFAOYSA-N 3 2 267.461 2.279 20 70 CEIDLP CC[NH+]1CCC([N@@H+](C)CCC[NH+]2CCCCC2)CC1 ZINC000161400261 528971294 /nfs/dbraw/zinc/97/12/94/528971294.db2.gz UIILEYGKJYISMQ-UHFFFAOYSA-N 3 2 267.461 2.279 20 70 CEIDLP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)C1 ZINC000161447117 367087648 /nfs/dbraw/zinc/08/76/48/367087648.db2.gz AQPYRPXWSVFDSF-OAHLLOKOSA-N 2 2 294.439 2.279 20 70 CEIDLP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)C1 ZINC000161447117 367087650 /nfs/dbraw/zinc/08/76/50/367087650.db2.gz AQPYRPXWSVFDSF-OAHLLOKOSA-N 2 2 294.439 2.279 20 70 CEIDLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217674928 394455316 /nfs/dbraw/zinc/45/53/16/394455316.db2.gz BZWWTZYGTZJCKV-HOTGVXAUSA-N 2 2 288.391 2.190 20 70 CEIDLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217674928 394455319 /nfs/dbraw/zinc/45/53/19/394455319.db2.gz BZWWTZYGTZJCKV-HOTGVXAUSA-N 2 2 288.391 2.190 20 70 CEIDLP c1cn(CCN2CCC[N@H+](CC3CCCCC3)CC2)c[nH+]1 ZINC000159769031 162311847 /nfs/dbraw/zinc/31/18/47/162311847.db2.gz RPFADGHHVLHQLK-UHFFFAOYSA-N 2 2 290.455 2.471 20 70 CEIDLP c1cn(CCN2CCC[N@@H+](CC3CCCCC3)CC2)c[nH+]1 ZINC000159769031 162311851 /nfs/dbraw/zinc/31/18/51/162311851.db2.gz RPFADGHHVLHQLK-UHFFFAOYSA-N 2 2 290.455 2.471 20 70 CEIDLP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)OCCO2 ZINC000217632992 370197843 /nfs/dbraw/zinc/19/78/43/370197843.db2.gz XEONCWRTEGQKGG-CABCVRRESA-N 2 2 288.391 2.174 20 70 CEIDLP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)OCCO2 ZINC000217632992 370197845 /nfs/dbraw/zinc/19/78/45/370197845.db2.gz XEONCWRTEGQKGG-CABCVRRESA-N 2 2 288.391 2.174 20 70 CEIDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160871444 521492192 /nfs/dbraw/zinc/49/21/92/521492192.db2.gz IPHCBRSEKZEOBM-HNNXBMFYSA-N 2 2 286.423 2.498 20 70 CEIDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160871444 521492201 /nfs/dbraw/zinc/49/22/01/521492201.db2.gz IPHCBRSEKZEOBM-HNNXBMFYSA-N 2 2 286.423 2.498 20 70 CEIDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160871444 521492212 /nfs/dbraw/zinc/49/22/12/521492212.db2.gz IPHCBRSEKZEOBM-HNNXBMFYSA-N 2 2 286.423 2.498 20 70 CEIDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160871444 521492216 /nfs/dbraw/zinc/49/22/16/521492216.db2.gz IPHCBRSEKZEOBM-HNNXBMFYSA-N 2 2 286.423 2.498 20 70 CEIDLP Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000160458927 527175730 /nfs/dbraw/zinc/17/57/30/527175730.db2.gz BMVNUZXQGDOBHF-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000160458927 527175737 /nfs/dbraw/zinc/17/57/37/527175737.db2.gz BMVNUZXQGDOBHF-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1nc2ccccn2c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000160458927 527175742 /nfs/dbraw/zinc/17/57/42/527175742.db2.gz BMVNUZXQGDOBHF-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1nc2ccccn2c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000160458927 527175747 /nfs/dbraw/zinc/17/57/47/527175747.db2.gz BMVNUZXQGDOBHF-OAHLLOKOSA-N 2 2 286.423 2.416 20 70 CEIDLP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160100198 366973302 /nfs/dbraw/zinc/97/33/02/366973302.db2.gz XXYVIUOKRHRPTG-LBPRGKRZSA-N 2 2 277.403 2.036 20 70 CEIDLP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160100198 366973308 /nfs/dbraw/zinc/97/33/08/366973308.db2.gz XXYVIUOKRHRPTG-LBPRGKRZSA-N 2 2 277.403 2.036 20 70 CEIDLP CCOc1ccccc1OCC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160072339 366970711 /nfs/dbraw/zinc/97/07/11/366970711.db2.gz IFXNNWILSHZPAD-CQSZACIVSA-N 2 2 278.396 2.133 20 70 CEIDLP CCOc1ccccc1OCC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000160072339 366970714 /nfs/dbraw/zinc/97/07/14/366970714.db2.gz IFXNNWILSHZPAD-CQSZACIVSA-N 2 2 278.396 2.133 20 70 CEIDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000160601483 367021112 /nfs/dbraw/zinc/02/11/12/367021112.db2.gz WRCQHJRGKDHGJJ-HIFRSBDPSA-N 2 2 262.397 2.010 20 70 CEIDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000160601483 367021118 /nfs/dbraw/zinc/02/11/18/367021118.db2.gz WRCQHJRGKDHGJJ-HIFRSBDPSA-N 2 2 262.397 2.010 20 70 CEIDLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000161404409 367083582 /nfs/dbraw/zinc/08/35/82/367083582.db2.gz IODYIUGUPWNOAL-UHFFFAOYSA-N 2 2 284.157 2.371 20 70 CEIDLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000161404409 367083589 /nfs/dbraw/zinc/08/35/89/367083589.db2.gz IODYIUGUPWNOAL-UHFFFAOYSA-N 2 2 284.157 2.371 20 70 CEIDLP CCOc1ccc(OCC[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159987022 162318041 /nfs/dbraw/zinc/31/80/41/162318041.db2.gz BTTGVKZRJQIUAW-INIZCTEOSA-N 2 2 278.396 2.133 20 70 CEIDLP CCOc1ccc(OCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159987022 162318046 /nfs/dbraw/zinc/31/80/46/162318046.db2.gz BTTGVKZRJQIUAW-INIZCTEOSA-N 2 2 278.396 2.133 20 70 CEIDLP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000161446768 519645787 /nfs/dbraw/zinc/64/57/87/519645787.db2.gz WVQCTYMRBAPSPR-UYSNPLJNSA-N 2 2 293.455 2.040 20 70 CEIDLP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000161446768 519645790 /nfs/dbraw/zinc/64/57/90/519645790.db2.gz WVQCTYMRBAPSPR-UYSNPLJNSA-N 2 2 293.455 2.040 20 70 CEIDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000159372288 366907426 /nfs/dbraw/zinc/90/74/26/366907426.db2.gz KGVKWQOOPGDXLD-GFCCVEGCSA-N 2 2 282.453 2.466 20 70 CEIDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000159372288 366907431 /nfs/dbraw/zinc/90/74/31/366907431.db2.gz KGVKWQOOPGDXLD-GFCCVEGCSA-N 2 2 282.453 2.466 20 70 CEIDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000217646711 370198324 /nfs/dbraw/zinc/19/83/24/370198324.db2.gz MNPPPINGIRWAMS-KGLIPLIRSA-N 2 2 276.380 2.117 20 70 CEIDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1O ZINC000217646711 370198332 /nfs/dbraw/zinc/19/83/32/370198332.db2.gz MNPPPINGIRWAMS-KGLIPLIRSA-N 2 2 276.380 2.117 20 70 CEIDLP CC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000161055561 280095919 /nfs/dbraw/zinc/09/59/19/280095919.db2.gz UJUBUZRNVTUHOJ-GJZGRUSLSA-N 2 2 254.418 2.362 20 70 CEIDLP CC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000161055561 280095921 /nfs/dbraw/zinc/09/59/21/280095921.db2.gz UJUBUZRNVTUHOJ-GJZGRUSLSA-N 2 2 254.418 2.362 20 70 CEIDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403079 524898524 /nfs/dbraw/zinc/89/85/24/524898524.db2.gz PCHRUPMEBGWGCB-PVAVHDDUSA-N 3 2 281.488 2.427 20 70 CEIDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403079 524898527 /nfs/dbraw/zinc/89/85/27/524898527.db2.gz PCHRUPMEBGWGCB-PVAVHDDUSA-N 3 2 281.488 2.427 20 70 CEIDLP CCCNC(=O)C[N@H+](CCC)CCC[NH+]1CCCCC1 ZINC000160636572 528384741 /nfs/dbraw/zinc/38/47/41/528384741.db2.gz ZRKZZPURWXVPMY-UHFFFAOYSA-N 2 2 283.460 2.101 20 70 CEIDLP CCCNC(=O)C[N@@H+](CCC)CCC[NH+]1CCCCC1 ZINC000160636572 528384747 /nfs/dbraw/zinc/38/47/47/528384747.db2.gz ZRKZZPURWXVPMY-UHFFFAOYSA-N 2 2 283.460 2.101 20 70 CEIDLP C[N@H+](CCCOc1ccccc1)CCn1cc[nH+]c1 ZINC000159716583 366941371 /nfs/dbraw/zinc/94/13/71/366941371.db2.gz DNQNLMOTFSOPPY-UHFFFAOYSA-N 2 2 259.353 2.284 20 70 CEIDLP C[N@@H+](CCCOc1ccccc1)CCn1cc[nH+]c1 ZINC000159716583 366941374 /nfs/dbraw/zinc/94/13/74/366941374.db2.gz DNQNLMOTFSOPPY-UHFFFAOYSA-N 2 2 259.353 2.284 20 70 CEIDLP C[C@@H]1C[C@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110276 366975503 /nfs/dbraw/zinc/97/55/03/366975503.db2.gz BUXKMJQYMDPYNL-RHSMWYFYSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@@H]1C[C@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110276 366975510 /nfs/dbraw/zinc/97/55/10/366975510.db2.gz BUXKMJQYMDPYNL-RHSMWYFYSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@@H]1C[C@H](NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110276 366975514 /nfs/dbraw/zinc/97/55/14/366975514.db2.gz BUXKMJQYMDPYNL-RHSMWYFYSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@@H]1C[C@H](NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110276 366975522 /nfs/dbraw/zinc/97/55/22/366975522.db2.gz BUXKMJQYMDPYNL-RHSMWYFYSA-N 2 2 293.430 2.330 20 70 CEIDLP CCOc1ccccc1OCC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160072216 366970679 /nfs/dbraw/zinc/97/06/79/366970679.db2.gz IFXNNWILSHZPAD-AWEZNQCLSA-N 2 2 278.396 2.133 20 70 CEIDLP CCOc1ccccc1OCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000160072216 366970684 /nfs/dbraw/zinc/97/06/84/366970684.db2.gz IFXNNWILSHZPAD-AWEZNQCLSA-N 2 2 278.396 2.133 20 70 CEIDLP C[NH2+]CC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000161239087 367070000 /nfs/dbraw/zinc/07/00/00/367070000.db2.gz OWWUAPGOFZFSEY-UHFFFAOYSA-N 2 2 277.593 2.412 20 70 CEIDLP C[N@H+](CCOc1ccc(F)cc1)CCn1cc[nH+]c1 ZINC000159689662 366940291 /nfs/dbraw/zinc/94/02/91/366940291.db2.gz RFIHDPBTOSJLJL-UHFFFAOYSA-N 2 2 263.316 2.033 20 70 CEIDLP C[N@@H+](CCOc1ccc(F)cc1)CCn1cc[nH+]c1 ZINC000159689662 366940297 /nfs/dbraw/zinc/94/02/97/366940297.db2.gz RFIHDPBTOSJLJL-UHFFFAOYSA-N 2 2 263.316 2.033 20 70 CEIDLP Fc1ccc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)cc1F ZINC000159796600 162315620 /nfs/dbraw/zinc/31/56/20/162315620.db2.gz KMJANAJLZNPKJU-HNNXBMFYSA-N 2 2 293.317 2.235 20 70 CEIDLP Fc1ccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)cc1F ZINC000159796600 162315622 /nfs/dbraw/zinc/31/56/22/162315622.db2.gz KMJANAJLZNPKJU-HNNXBMFYSA-N 2 2 293.317 2.235 20 70 CEIDLP CCCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000160481507 520216290 /nfs/dbraw/zinc/21/62/90/520216290.db2.gz JAGVRKHSRUZOHC-AWEZNQCLSA-N 2 2 282.428 2.136 20 70 CEIDLP CC(C)c1nc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000160427367 367004773 /nfs/dbraw/zinc/00/47/73/367004773.db2.gz ZXBDHQVFKFYTHT-STQMWFEESA-N 2 2 262.401 2.376 20 70 CEIDLP CC(C)c1nc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC000160427367 367004779 /nfs/dbraw/zinc/00/47/79/367004779.db2.gz ZXBDHQVFKFYTHT-STQMWFEESA-N 2 2 262.401 2.376 20 70 CEIDLP CSC[C@](C)(O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000217850623 130763180 /nfs/dbraw/zinc/76/31/80/130763180.db2.gz PSWRWCYGVXCSKP-OAHLLOKOSA-N 2 2 291.420 2.076 20 70 CEIDLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217674826 394455560 /nfs/dbraw/zinc/45/55/60/394455560.db2.gz BZWWTZYGTZJCKV-CVEARBPZSA-N 2 2 288.391 2.190 20 70 CEIDLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217674826 394455562 /nfs/dbraw/zinc/45/55/62/394455562.db2.gz BZWWTZYGTZJCKV-CVEARBPZSA-N 2 2 288.391 2.190 20 70 CEIDLP CCS[C@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159816374 162314907 /nfs/dbraw/zinc/31/49/07/162314907.db2.gz FMEOCJOMWGUOAO-ZDUSSCGKSA-N 2 2 253.415 2.491 20 70 CEIDLP CCS[C@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159816374 162314914 /nfs/dbraw/zinc/31/49/14/162314914.db2.gz FMEOCJOMWGUOAO-ZDUSSCGKSA-N 2 2 253.415 2.491 20 70 CEIDLP c1cn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c[nH+]1 ZINC000159806272 162315770 /nfs/dbraw/zinc/31/57/70/162315770.db2.gz QIEPOAIKAZXQNU-QGZVFWFLSA-N 3 2 290.455 2.471 20 70 CEIDLP c1cn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c[nH+]1 ZINC000159806272 162315773 /nfs/dbraw/zinc/31/57/73/162315773.db2.gz QIEPOAIKAZXQNU-QGZVFWFLSA-N 3 2 290.455 2.471 20 70 CEIDLP c1cc(O[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000161420119 526435296 /nfs/dbraw/zinc/43/52/96/526435296.db2.gz OIWJCJDULRSKNJ-KRWDZBQOSA-N 3 2 289.423 2.411 20 70 CEIDLP c1cc(O[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000161420119 526435302 /nfs/dbraw/zinc/43/53/02/526435302.db2.gz OIWJCJDULRSKNJ-KRWDZBQOSA-N 3 2 289.423 2.411 20 70 CEIDLP Cc1nc2ccccn2c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000160459071 527176537 /nfs/dbraw/zinc/17/65/37/527176537.db2.gz BMVNUZXQGDOBHF-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1nc2ccccn2c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000160459071 527176542 /nfs/dbraw/zinc/17/65/42/527176542.db2.gz BMVNUZXQGDOBHF-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1nc2ccccn2c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000160459071 527176546 /nfs/dbraw/zinc/17/65/46/527176546.db2.gz BMVNUZXQGDOBHF-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP Cc1nc2ccccn2c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000160459071 527176548 /nfs/dbraw/zinc/17/65/48/527176548.db2.gz BMVNUZXQGDOBHF-HNNXBMFYSA-N 2 2 286.423 2.416 20 70 CEIDLP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160187325 540112924 /nfs/dbraw/zinc/11/29/24/540112924.db2.gz WAPZYMOFEZDOSK-ZIAGYGMSSA-N 2 2 262.401 2.010 20 70 CEIDLP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160187325 540112929 /nfs/dbraw/zinc/11/29/29/540112929.db2.gz WAPZYMOFEZDOSK-ZIAGYGMSSA-N 2 2 262.401 2.010 20 70 CEIDLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](c2ccccc2)O1 ZINC000159776841 366947190 /nfs/dbraw/zinc/94/71/90/366947190.db2.gz JYEUKHSMZDYXPB-GOEBONIOSA-N 2 2 271.364 2.345 20 70 CEIDLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](c2ccccc2)O1 ZINC000159776841 366947196 /nfs/dbraw/zinc/94/71/96/366947196.db2.gz JYEUKHSMZDYXPB-GOEBONIOSA-N 2 2 271.364 2.345 20 70 CEIDLP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H](C[NH3+])C1CC1 ZINC000160030599 366967055 /nfs/dbraw/zinc/96/70/55/366967055.db2.gz KOHVPMCFTLZUGK-LBPRGKRZSA-N 2 2 282.771 2.238 20 70 CEIDLP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@@H](C[NH3+])C1CC1 ZINC000160030599 366967059 /nfs/dbraw/zinc/96/70/59/366967059.db2.gz KOHVPMCFTLZUGK-LBPRGKRZSA-N 2 2 282.771 2.238 20 70 CEIDLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160591200 367021370 /nfs/dbraw/zinc/02/13/70/367021370.db2.gz ZHEIUWPXWCWXHK-KBPBESRZSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160591200 367021374 /nfs/dbraw/zinc/02/13/74/367021374.db2.gz ZHEIUWPXWCWXHK-KBPBESRZSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160591200 367021376 /nfs/dbraw/zinc/02/13/76/367021376.db2.gz ZHEIUWPXWCWXHK-KBPBESRZSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160591200 367021382 /nfs/dbraw/zinc/02/13/82/367021382.db2.gz ZHEIUWPXWCWXHK-KBPBESRZSA-N 2 2 272.396 2.249 20 70 CEIDLP CO[C@H]1CC[N@H+](Cc2ccc(SC)cc2)[C@H](C[NH3+])C1 ZINC000160982911 367047440 /nfs/dbraw/zinc/04/74/40/367047440.db2.gz POKWJFBUJLTACL-KBPBESRZSA-N 2 2 280.437 2.347 20 70 CEIDLP CO[C@H]1CC[N@@H+](Cc2ccc(SC)cc2)[C@H](C[NH3+])C1 ZINC000160982911 367047443 /nfs/dbraw/zinc/04/74/43/367047443.db2.gz POKWJFBUJLTACL-KBPBESRZSA-N 2 2 280.437 2.347 20 70 CEIDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000217642361 370198139 /nfs/dbraw/zinc/19/81/39/370198139.db2.gz IIUVGMMUIBDDTA-CABCVRRESA-N 2 2 290.407 2.420 20 70 CEIDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000217642361 370198144 /nfs/dbraw/zinc/19/81/44/370198144.db2.gz IIUVGMMUIBDDTA-CABCVRRESA-N 2 2 290.407 2.420 20 70 CEIDLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccc(O)cc1)C1CC1 ZINC000217429161 276131799 /nfs/dbraw/zinc/13/17/99/276131799.db2.gz VKIZJWAPJCNODF-CYBMUJFWSA-N 2 2 262.397 2.397 20 70 CEIDLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccc(O)cc1)C1CC1 ZINC000217429161 276131801 /nfs/dbraw/zinc/13/18/01/276131801.db2.gz VKIZJWAPJCNODF-CYBMUJFWSA-N 2 2 262.397 2.397 20 70 CEIDLP c1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000161354458 539279436 /nfs/dbraw/zinc/27/94/36/539279436.db2.gz XBLWSHOILLSBFC-UHFFFAOYSA-N 2 2 293.374 2.052 20 70 CEIDLP CCCn1nccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000160082558 540111587 /nfs/dbraw/zinc/11/15/87/540111587.db2.gz QBFVFUZSDOTJHN-UHFFFAOYSA-N 2 2 262.401 2.010 20 70 CEIDLP c1cn(CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c[nH+]1 ZINC000159801793 366950021 /nfs/dbraw/zinc/95/00/21/366950021.db2.gz YNPBDAUIOFNHDS-OAHLLOKOSA-N 2 2 299.374 2.491 20 70 CEIDLP c1cn(CC[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c[nH+]1 ZINC000159801793 366950031 /nfs/dbraw/zinc/95/00/31/366950031.db2.gz YNPBDAUIOFNHDS-OAHLLOKOSA-N 2 2 299.374 2.491 20 70 CEIDLP CCc1ccc([C@H]2COCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000159835806 366953752 /nfs/dbraw/zinc/95/37/52/366953752.db2.gz CUSVIDMPDBUAQH-CQSZACIVSA-N 2 2 275.352 2.112 20 70 CEIDLP CCc1ccc([C@H]2COCC[N@H+]2CCn2cc[nH+]c2)o1 ZINC000159835806 366953757 /nfs/dbraw/zinc/95/37/57/366953757.db2.gz CUSVIDMPDBUAQH-CQSZACIVSA-N 2 2 275.352 2.112 20 70 CEIDLP C[C@@H](c1ccsc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000160500132 367010646 /nfs/dbraw/zinc/01/06/46/367010646.db2.gz KGLRMBWNECUBFO-LBPRGKRZSA-N 2 2 276.409 2.350 20 70 CEIDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCn2cc[nH+]c2)C1 ZINC000159828176 162315106 /nfs/dbraw/zinc/31/51/06/162315106.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 3 2 290.455 2.470 20 70 CEIDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCn2cc[nH+]c2)C1 ZINC000159828176 162315110 /nfs/dbraw/zinc/31/51/10/162315110.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 3 2 290.455 2.470 20 70 CEIDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159828176 162315113 /nfs/dbraw/zinc/31/51/13/162315113.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 3 2 290.455 2.470 20 70 CEIDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159828176 162315117 /nfs/dbraw/zinc/31/51/17/162315117.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 3 2 290.455 2.470 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000160038553 162323432 /nfs/dbraw/zinc/32/34/32/162323432.db2.gz KEBQNORBDRQCOM-DZGCQCFKSA-N 2 2 277.412 2.441 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000160038553 162323438 /nfs/dbraw/zinc/32/34/38/162323438.db2.gz KEBQNORBDRQCOM-DZGCQCFKSA-N 2 2 277.412 2.441 20 70 CEIDLP CC(=O)NC1CCC([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000161379918 277024571 /nfs/dbraw/zinc/02/45/71/277024571.db2.gz OVPUBCZABNJCII-OOHWJJMZSA-N 2 2 295.471 2.144 20 70 CEIDLP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)C1CC1 ZINC000217612233 370198705 /nfs/dbraw/zinc/19/87/05/370198705.db2.gz NYGWXMVGJVTITJ-AWEZNQCLSA-N 3 2 288.439 2.123 20 70 CEIDLP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)C1CC1 ZINC000217612233 370198712 /nfs/dbraw/zinc/19/87/12/370198712.db2.gz NYGWXMVGJVTITJ-AWEZNQCLSA-N 3 2 288.439 2.123 20 70 CEIDLP c1cn(CCN2CCC[C@@H]([NH+]3CCCCCC3)C2)c[nH+]1 ZINC000159813933 280497194 /nfs/dbraw/zinc/49/71/94/280497194.db2.gz OUNKCQZRMVGROF-MRXNPFEDSA-N 2 2 276.428 2.224 20 70 CEIDLP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160069982 529342956 /nfs/dbraw/zinc/34/29/56/529342956.db2.gz HDBGWBDRIFNRKM-GFCCVEGCSA-N 2 2 295.393 2.333 20 70 CEIDLP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160069982 529342958 /nfs/dbraw/zinc/34/29/58/529342958.db2.gz HDBGWBDRIFNRKM-GFCCVEGCSA-N 2 2 295.393 2.333 20 70 CEIDLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000217550104 370196298 /nfs/dbraw/zinc/19/62/98/370196298.db2.gz KWRPVOBNYWOCGE-STQMWFEESA-N 2 2 262.397 2.396 20 70 CEIDLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000217550104 370196303 /nfs/dbraw/zinc/19/63/03/370196303.db2.gz KWRPVOBNYWOCGE-STQMWFEESA-N 2 2 262.397 2.396 20 70 CEIDLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160266024 162326375 /nfs/dbraw/zinc/32/63/75/162326375.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 3 2 267.461 2.181 20 70 CEIDLP C[C@@H]1CCCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000160266024 162326376 /nfs/dbraw/zinc/32/63/76/162326376.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 3 2 267.461 2.181 20 70 CEIDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000160266024 162326379 /nfs/dbraw/zinc/32/63/79/162326379.db2.gz UHGKJMCWHDICEW-ARFHVFGLSA-N 3 2 267.461 2.181 20 70 CEIDLP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000161446842 519645942 /nfs/dbraw/zinc/64/59/42/519645942.db2.gz WVQCTYMRBAPSPR-GPANFISMSA-N 2 2 293.455 2.040 20 70 CEIDLP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000161446842 519645944 /nfs/dbraw/zinc/64/59/44/519645944.db2.gz WVQCTYMRBAPSPR-GPANFISMSA-N 2 2 293.455 2.040 20 70 CEIDLP CCS[C@@H]1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000159859973 529221678 /nfs/dbraw/zinc/22/16/78/529221678.db2.gz STUQEOMBIDKMRE-QWHCGFSZSA-N 2 2 253.415 2.489 20 70 CEIDLP CCS[C@@H]1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000159859973 529221679 /nfs/dbraw/zinc/22/16/79/529221679.db2.gz STUQEOMBIDKMRE-QWHCGFSZSA-N 2 2 253.415 2.489 20 70 CEIDLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@H](c2ccccc2)CO1 ZINC000159864277 366954507 /nfs/dbraw/zinc/95/45/07/366954507.db2.gz RXBSXTXAZDMTLI-HOCLYGCPSA-N 2 2 271.364 2.345 20 70 CEIDLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H](c2ccccc2)CO1 ZINC000159864277 366954513 /nfs/dbraw/zinc/95/45/13/366954513.db2.gz RXBSXTXAZDMTLI-HOCLYGCPSA-N 2 2 271.364 2.345 20 70 CEIDLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@H](c2ccccc2)CO1 ZINC000159864131 366955282 /nfs/dbraw/zinc/95/52/82/366955282.db2.gz RXBSXTXAZDMTLI-ZBFHGGJFSA-N 2 2 271.364 2.345 20 70 CEIDLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H](c2ccccc2)CO1 ZINC000159864131 366955284 /nfs/dbraw/zinc/95/52/84/366955284.db2.gz RXBSXTXAZDMTLI-ZBFHGGJFSA-N 2 2 271.364 2.345 20 70 CEIDLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](C[NH3+])C1CC1 ZINC000160156654 366977601 /nfs/dbraw/zinc/97/76/01/366977601.db2.gz VMNFRLKIHKPQIQ-ZDUSSCGKSA-N 2 2 296.798 2.280 20 70 CEIDLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](C[NH3+])C1CC1 ZINC000160156654 366977608 /nfs/dbraw/zinc/97/76/08/366977608.db2.gz VMNFRLKIHKPQIQ-ZDUSSCGKSA-N 2 2 296.798 2.280 20 70 CEIDLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H](C[NH3+])C1CC1 ZINC000160156773 366978221 /nfs/dbraw/zinc/97/82/21/366978221.db2.gz VMNFRLKIHKPQIQ-CYBMUJFWSA-N 2 2 296.798 2.280 20 70 CEIDLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)[C@H](C[NH3+])C1CC1 ZINC000160156773 366978231 /nfs/dbraw/zinc/97/82/31/366978231.db2.gz VMNFRLKIHKPQIQ-CYBMUJFWSA-N 2 2 296.798 2.280 20 70 CEIDLP CCCn1c(C)nnc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000160711833 367030142 /nfs/dbraw/zinc/03/01/42/367030142.db2.gz OASJUITUNSIQBD-UHFFFAOYSA-N 2 2 288.399 2.030 20 70 CEIDLP c1cn(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c[nH+]1 ZINC000159804757 162315039 /nfs/dbraw/zinc/31/50/39/162315039.db2.gz IJUAQUGCIHSJPX-AWEZNQCLSA-N 2 2 285.347 2.449 20 70 CEIDLP c1cn(CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c[nH+]1 ZINC000159804757 162315041 /nfs/dbraw/zinc/31/50/41/162315041.db2.gz IJUAQUGCIHSJPX-AWEZNQCLSA-N 2 2 285.347 2.449 20 70 CEIDLP c1cn(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c[nH+]1 ZINC000159804865 162316016 /nfs/dbraw/zinc/31/60/16/162316016.db2.gz IJUAQUGCIHSJPX-CQSZACIVSA-N 2 2 285.347 2.449 20 70 CEIDLP c1cn(CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c[nH+]1 ZINC000159804865 162316020 /nfs/dbraw/zinc/31/60/20/162316020.db2.gz IJUAQUGCIHSJPX-CQSZACIVSA-N 2 2 285.347 2.449 20 70 CEIDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000159372145 277213696 /nfs/dbraw/zinc/21/36/96/277213696.db2.gz KGVKWQOOPGDXLD-LBPRGKRZSA-N 2 2 282.453 2.466 20 70 CEIDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000159372145 277213698 /nfs/dbraw/zinc/21/36/98/277213698.db2.gz KGVKWQOOPGDXLD-LBPRGKRZSA-N 2 2 282.453 2.466 20 70 CEIDLP C[N@@H+](Cc1cnc2ccccn12)C[C@@H]1CCC[NH+](C)C1 ZINC000160458763 523502393 /nfs/dbraw/zinc/50/23/93/523502393.db2.gz OBYJFIWSLFKANQ-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP C[N@H+](Cc1cnc2ccccn12)C[C@@H]1CCC[NH+](C)C1 ZINC000160458763 523502401 /nfs/dbraw/zinc/50/24/01/523502401.db2.gz OBYJFIWSLFKANQ-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP C[NH+](Cc1cnc2ccccn12)C[C@@H]1CCC[N@H+](C)C1 ZINC000160458763 523502411 /nfs/dbraw/zinc/50/24/11/523502411.db2.gz OBYJFIWSLFKANQ-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP C[NH+](Cc1cnc2ccccn12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000160458763 523502417 /nfs/dbraw/zinc/50/24/17/523502417.db2.gz OBYJFIWSLFKANQ-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000160405401 527178271 /nfs/dbraw/zinc/17/82/71/527178271.db2.gz JTJLRMHQXMEKMH-DZGCQCFKSA-N 2 2 284.407 2.311 20 70 CEIDLP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000160405401 527178272 /nfs/dbraw/zinc/17/82/72/527178272.db2.gz JTJLRMHQXMEKMH-DZGCQCFKSA-N 2 2 284.407 2.311 20 70 CEIDLP Cn1cc[nH+]c1CC1CCN(c2cccc[nH+]2)CC1 ZINC000160671592 367024845 /nfs/dbraw/zinc/02/48/45/367024845.db2.gz ZGQPSKAYDHGLAS-UHFFFAOYSA-N 2 2 256.353 2.274 20 70 CEIDLP CO[C@H]1CC[N@H+](CCSc2ccccc2)[C@H](C[NH3+])C1 ZINC000161170991 367064396 /nfs/dbraw/zinc/06/43/96/367064396.db2.gz FLQIMKZDQOGPRP-KBPBESRZSA-N 2 2 280.437 2.217 20 70 CEIDLP CO[C@H]1CC[N@@H+](CCSc2ccccc2)[C@H](C[NH3+])C1 ZINC000161170991 367064403 /nfs/dbraw/zinc/06/44/03/367064403.db2.gz FLQIMKZDQOGPRP-KBPBESRZSA-N 2 2 280.437 2.217 20 70 CEIDLP CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000161193440 367066293 /nfs/dbraw/zinc/06/62/93/367066293.db2.gz OWOYTALPZMJLQO-AUPUMLSVSA-N 2 2 260.381 2.138 20 70 CEIDLP CO[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000161193440 367066297 /nfs/dbraw/zinc/06/62/97/367066297.db2.gz OWOYTALPZMJLQO-AUPUMLSVSA-N 2 2 260.381 2.138 20 70 CEIDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C)cn3)CC2)c1 ZINC000159862881 162317206 /nfs/dbraw/zinc/31/72/06/162317206.db2.gz OXZWPNYKXWHWKM-UHFFFAOYSA-N 2 2 298.390 2.116 20 70 CEIDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000159833592 366953174 /nfs/dbraw/zinc/95/31/74/366953174.db2.gz VDGGYFIXNLJBPA-MRXNPFEDSA-N 2 2 298.390 2.011 20 70 CEIDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000159833592 366953178 /nfs/dbraw/zinc/95/31/78/366953178.db2.gz VDGGYFIXNLJBPA-MRXNPFEDSA-N 2 2 298.390 2.011 20 70 CEIDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160881220 520247296 /nfs/dbraw/zinc/24/72/96/520247296.db2.gz BTOKAYFCXUOPAB-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160881220 520247306 /nfs/dbraw/zinc/24/73/06/520247306.db2.gz BTOKAYFCXUOPAB-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160881220 520247312 /nfs/dbraw/zinc/24/73/12/520247312.db2.gz BTOKAYFCXUOPAB-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160881220 520247320 /nfs/dbraw/zinc/24/73/20/520247320.db2.gz BTOKAYFCXUOPAB-AWEZNQCLSA-N 2 2 272.396 2.108 20 70 CEIDLP c1cn(CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)c[nH+]1 ZINC000159849968 232248965 /nfs/dbraw/zinc/24/89/65/232248965.db2.gz UQGVIHPOBILFJV-HNNXBMFYSA-N 2 2 263.385 2.307 20 70 CEIDLP c1cn(CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c[nH+]1 ZINC000159849968 232248968 /nfs/dbraw/zinc/24/89/68/232248968.db2.gz UQGVIHPOBILFJV-HNNXBMFYSA-N 2 2 263.385 2.307 20 70 CEIDLP C[C@H]1CN(c2cc[nH+]cc2Br)C[C@H](C)[NH+]1C ZINC000160190837 366981505 /nfs/dbraw/zinc/98/15/05/366981505.db2.gz IJQRBGPSUJVMNK-UWVGGRQHSA-N 2 2 284.201 2.373 20 70 CEIDLP c1[nH+]c2ccccn2c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160429053 367005296 /nfs/dbraw/zinc/00/52/96/367005296.db2.gz LSFLBUBVJHVFBH-OAHLLOKOSA-N 2 2 284.407 2.395 20 70 CEIDLP C[NH2+]CC[NH2+]Cc1ccc(Br)cc1C ZINC000161273577 367074799 /nfs/dbraw/zinc/07/47/99/367074799.db2.gz HWXSFVZJMOUDPO-UHFFFAOYSA-N 2 2 257.175 2.067 20 70 CEIDLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000161293710 367076229 /nfs/dbraw/zinc/07/62/29/367076229.db2.gz NAENOEABTGGJGM-AWEZNQCLSA-N 2 2 254.418 2.362 20 70 CEIDLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000161293710 367076231 /nfs/dbraw/zinc/07/62/31/367076231.db2.gz NAENOEABTGGJGM-AWEZNQCLSA-N 2 2 254.418 2.362 20 70 CEIDLP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+](C)C ZINC000217941383 153299018 /nfs/dbraw/zinc/29/90/18/153299018.db2.gz JFVZCQVMRHALPS-ZJIFWQFVSA-N 3 2 269.477 2.281 20 70 CEIDLP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000217941383 153299022 /nfs/dbraw/zinc/29/90/22/153299022.db2.gz JFVZCQVMRHALPS-ZJIFWQFVSA-N 3 2 269.477 2.281 20 70 CEIDLP COC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000159914880 162320448 /nfs/dbraw/zinc/32/04/48/162320448.db2.gz JYJUULQPIKYQIF-UONOGXRCSA-N 2 2 277.412 2.232 20 70 CEIDLP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000160400567 527177417 /nfs/dbraw/zinc/17/74/17/527177417.db2.gz ZZQIDKGTBVSEGX-CQSZACIVSA-N 2 2 272.396 2.026 20 70 CEIDLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000160400567 527177419 /nfs/dbraw/zinc/17/74/19/527177419.db2.gz ZZQIDKGTBVSEGX-CQSZACIVSA-N 2 2 272.396 2.026 20 70 CEIDLP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c(C(C)C)n1 ZINC000160432503 367005771 /nfs/dbraw/zinc/00/57/71/367005771.db2.gz TYTFTNNYEKPGKA-UHFFFAOYSA-N 2 2 294.443 2.395 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000160038663 162322949 /nfs/dbraw/zinc/32/29/49/162322949.db2.gz KEBQNORBDRQCOM-HIFRSBDPSA-N 2 2 277.412 2.441 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000160038663 162322953 /nfs/dbraw/zinc/32/29/53/162322953.db2.gz KEBQNORBDRQCOM-HIFRSBDPSA-N 2 2 277.412 2.441 20 70 CEIDLP C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000159759062 366946696 /nfs/dbraw/zinc/94/66/96/366946696.db2.gz PFNFQMSHLGTNBN-AWEZNQCLSA-N 2 2 295.390 2.499 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160314102 366993802 /nfs/dbraw/zinc/99/38/02/366993802.db2.gz MEYHHPOKSUWWBG-BJJXKVORSA-N 2 2 286.423 2.461 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn21 ZINC000160314102 366993805 /nfs/dbraw/zinc/99/38/05/366993805.db2.gz MEYHHPOKSUWWBG-BJJXKVORSA-N 2 2 286.423 2.461 20 70 CEIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000161214246 279275235 /nfs/dbraw/zinc/27/52/35/279275235.db2.gz UGPLFMJEEZIIBO-DZGCQCFKSA-N 2 2 254.418 2.266 20 70 CEIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000161214246 279275236 /nfs/dbraw/zinc/27/52/36/279275236.db2.gz UGPLFMJEEZIIBO-DZGCQCFKSA-N 2 2 254.418 2.266 20 70 CEIDLP c1cn(CC[NH+]2CCC(Oc3ccccc3)CC2)c[nH+]1 ZINC000161472510 526533554 /nfs/dbraw/zinc/53/35/54/526533554.db2.gz XLOWAFADNHHNDH-UHFFFAOYSA-N 2 2 271.364 2.427 20 70 CEIDLP CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1[nH+]ccn1C ZINC000161156834 367062786 /nfs/dbraw/zinc/06/27/86/367062786.db2.gz NMYBQDYMHAXDEX-UHFFFAOYSA-N 2 2 290.386 2.123 20 70 CEIDLP CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1[nH+]ccn1C ZINC000161156834 367062792 /nfs/dbraw/zinc/06/27/92/367062792.db2.gz NMYBQDYMHAXDEX-UHFFFAOYSA-N 2 2 290.386 2.123 20 70 CEIDLP CC[NH2+]CC[NH2+]Cc1ccc(C)c(Br)c1 ZINC000161299399 367075960 /nfs/dbraw/zinc/07/59/60/367075960.db2.gz LGMCVIBAINJVHL-UHFFFAOYSA-N 2 2 271.202 2.457 20 70 CEIDLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000217550186 370196667 /nfs/dbraw/zinc/19/66/67/370196667.db2.gz KWRPVOBNYWOCGE-OLZOCXBDSA-N 2 2 262.397 2.396 20 70 CEIDLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000217550186 370196670 /nfs/dbraw/zinc/19/66/70/370196670.db2.gz KWRPVOBNYWOCGE-OLZOCXBDSA-N 2 2 262.397 2.396 20 70 CEIDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000217642442 370199159 /nfs/dbraw/zinc/19/91/59/370199159.db2.gz IIUVGMMUIBDDTA-GJZGRUSLSA-N 2 2 290.407 2.420 20 70 CEIDLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000217642442 370199163 /nfs/dbraw/zinc/19/91/63/370199163.db2.gz IIUVGMMUIBDDTA-GJZGRUSLSA-N 2 2 290.407 2.420 20 70 CEIDLP CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@@H](C[NH3+])C1 ZINC000160994888 395062644 /nfs/dbraw/zinc/06/26/44/395062644.db2.gz JTKNPJUEPISVMP-HZPDHXFCSA-N 2 2 262.397 2.242 20 70 CEIDLP C[N@H+](Cc1ccc2ccccc2n1)[C@H](C[NH3+])C1CC1 ZINC000159706727 162313311 /nfs/dbraw/zinc/31/33/11/162313311.db2.gz COGCYEMFWXRWFI-MRXNPFEDSA-N 2 2 255.365 2.404 20 70 CEIDLP C[N@@H+](Cc1ccc2ccccc2n1)[C@H](C[NH3+])C1CC1 ZINC000159706727 162313314 /nfs/dbraw/zinc/31/33/14/162313314.db2.gz COGCYEMFWXRWFI-MRXNPFEDSA-N 2 2 255.365 2.404 20 70 CEIDLP CC[N@H+](CC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000217450023 280209386 /nfs/dbraw/zinc/20/93/86/280209386.db2.gz SAOIEYFKCRAQGU-UHFFFAOYSA-N 2 2 297.443 2.116 20 70 CEIDLP CC[N@@H+](CC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000217450023 280209387 /nfs/dbraw/zinc/20/93/87/280209387.db2.gz SAOIEYFKCRAQGU-UHFFFAOYSA-N 2 2 297.443 2.116 20 70 CEIDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCOC1 ZINC000161199858 522851834 /nfs/dbraw/zinc/85/18/34/522851834.db2.gz CFLXECIARSFLKR-SOUVJXGZSA-N 2 2 254.418 2.266 20 70 CEIDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@H]1CCOC1 ZINC000161199858 522851841 /nfs/dbraw/zinc/85/18/41/522851841.db2.gz CFLXECIARSFLKR-SOUVJXGZSA-N 2 2 254.418 2.266 20 70 CEIDLP C[C@H]1C[C@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405466 232253735 /nfs/dbraw/zinc/25/37/35/232253735.db2.gz GDDSXDNJBVGLCG-JKSUJKDBSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H]1C[C@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405466 232253737 /nfs/dbraw/zinc/25/37/37/232253737.db2.gz GDDSXDNJBVGLCG-JKSUJKDBSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H]1C[C@H]([N@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405466 232253739 /nfs/dbraw/zinc/25/37/39/232253739.db2.gz GDDSXDNJBVGLCG-JKSUJKDBSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405466 232253743 /nfs/dbraw/zinc/25/37/43/232253743.db2.gz GDDSXDNJBVGLCG-JKSUJKDBSA-N 3 2 267.461 2.277 20 70 CEIDLP CC[NH2+]CC[NH2+]Cc1cccc(Br)c1 ZINC000161330750 188522217 /nfs/dbraw/zinc/52/22/17/188522217.db2.gz NJVQVAQTTDKQOP-UHFFFAOYSA-N 2 2 257.175 2.148 20 70 CEIDLP Cn1cc[nH+]c1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159371228 366907812 /nfs/dbraw/zinc/90/78/12/366907812.db2.gz COGJAZQRWXDQOD-UHFFFAOYSA-N 2 2 286.423 2.420 20 70 CEIDLP Cn1cc[nH+]c1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159371228 366907818 /nfs/dbraw/zinc/90/78/18/366907818.db2.gz COGJAZQRWXDQOD-UHFFFAOYSA-N 2 2 286.423 2.420 20 70 CEIDLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159830349 366950813 /nfs/dbraw/zinc/95/08/13/366950813.db2.gz WHDPMENRISVLCB-MRXNPFEDSA-N 2 2 298.390 2.011 20 70 CEIDLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159830349 366950817 /nfs/dbraw/zinc/95/08/17/366950817.db2.gz WHDPMENRISVLCB-MRXNPFEDSA-N 2 2 298.390 2.011 20 70 CEIDLP CC(C)c1nc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC000160427237 367005658 /nfs/dbraw/zinc/00/56/58/367005658.db2.gz ZXBDHQVFKFYTHT-OLZOCXBDSA-N 2 2 262.401 2.376 20 70 CEIDLP CC(C)c1nc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC000160427237 367005663 /nfs/dbraw/zinc/00/56/63/367005663.db2.gz ZXBDHQVFKFYTHT-OLZOCXBDSA-N 2 2 262.401 2.376 20 70 CEIDLP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)OCCO2 ZINC000217633080 370198433 /nfs/dbraw/zinc/19/84/33/370198433.db2.gz XEONCWRTEGQKGG-GJZGRUSLSA-N 2 2 288.391 2.174 20 70 CEIDLP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)OCCO2 ZINC000217633080 370198440 /nfs/dbraw/zinc/19/84/40/370198440.db2.gz XEONCWRTEGQKGG-GJZGRUSLSA-N 2 2 288.391 2.174 20 70 CEIDLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217699879 370200470 /nfs/dbraw/zinc/20/04/70/370200470.db2.gz IELAOJMGYGPLMU-DZKIICNBSA-N 2 2 274.412 2.014 20 70 CEIDLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217699879 370200474 /nfs/dbraw/zinc/20/04/74/370200474.db2.gz IELAOJMGYGPLMU-DZKIICNBSA-N 2 2 274.412 2.014 20 70 CEIDLP C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159741302 162313721 /nfs/dbraw/zinc/31/37/21/162313721.db2.gz DVDXCQDNZIUHJD-ZDUSSCGKSA-N 2 2 270.323 2.457 20 70 CEIDLP C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159741302 162313723 /nfs/dbraw/zinc/31/37/23/162313723.db2.gz DVDXCQDNZIUHJD-ZDUSSCGKSA-N 2 2 270.323 2.457 20 70 CEIDLP Cc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH+]cn2C)n1 ZINC000159837851 162316287 /nfs/dbraw/zinc/31/62/87/162316287.db2.gz PZHBNTNAGYXCEC-HNNXBMFYSA-N 2 2 256.353 2.461 20 70 CEIDLP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)n1 ZINC000159837851 162316291 /nfs/dbraw/zinc/31/62/91/162316291.db2.gz PZHBNTNAGYXCEC-HNNXBMFYSA-N 2 2 256.353 2.461 20 70 CEIDLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccc(O)cc1)C1CC1 ZINC000217429079 279206387 /nfs/dbraw/zinc/20/63/87/279206387.db2.gz VKIZJWAPJCNODF-ZDUSSCGKSA-N 2 2 262.397 2.397 20 70 CEIDLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccc(O)cc1)C1CC1 ZINC000217429079 279206389 /nfs/dbraw/zinc/20/63/89/279206389.db2.gz VKIZJWAPJCNODF-ZDUSSCGKSA-N 2 2 262.397 2.397 20 70 CEIDLP CC[N@H+](CCC[NH+]1CCCCC1)Cc1cnn(C)c1 ZINC000161440056 521014026 /nfs/dbraw/zinc/01/40/26/521014026.db2.gz SSFBHRIJGAJLIK-UHFFFAOYSA-N 2 2 264.417 2.118 20 70 CEIDLP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cnn(C)c1 ZINC000161440056 521014030 /nfs/dbraw/zinc/01/40/30/521014030.db2.gz SSFBHRIJGAJLIK-UHFFFAOYSA-N 2 2 264.417 2.118 20 70 CEIDLP C[C@H]1C[C@@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405704 232254214 /nfs/dbraw/zinc/25/42/14/232254214.db2.gz GDDSXDNJBVGLCG-HOTGVXAUSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H]1C[C@@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405704 232254215 /nfs/dbraw/zinc/25/42/15/232254215.db2.gz GDDSXDNJBVGLCG-HOTGVXAUSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H]1C[C@@H]([N@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405704 232254219 /nfs/dbraw/zinc/25/42/19/232254219.db2.gz GDDSXDNJBVGLCG-HOTGVXAUSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405704 232254220 /nfs/dbraw/zinc/25/42/20/232254220.db2.gz GDDSXDNJBVGLCG-HOTGVXAUSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@H+](C)C1CC1 ZINC000217558181 370197083 /nfs/dbraw/zinc/19/70/83/370197083.db2.gz OYQKPRPRVUUDLC-MXASKKJJSA-N 3 2 279.472 2.370 20 70 CEIDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000217558181 370197092 /nfs/dbraw/zinc/19/70/92/370197092.db2.gz OYQKPRPRVUUDLC-MXASKKJJSA-N 3 2 279.472 2.370 20 70 CEIDLP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)C1CC1 ZINC000217612338 370197943 /nfs/dbraw/zinc/19/79/43/370197943.db2.gz NYGWXMVGJVTITJ-CQSZACIVSA-N 3 2 288.439 2.123 20 70 CEIDLP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)C1CC1 ZINC000217612338 370197946 /nfs/dbraw/zinc/19/79/46/370197946.db2.gz NYGWXMVGJVTITJ-CQSZACIVSA-N 3 2 288.439 2.123 20 70 CEIDLP C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161375071 395064192 /nfs/dbraw/zinc/06/41/92/395064192.db2.gz MAPAOTPIBFFTFQ-QGZVFWFLSA-N 3 2 279.472 2.280 20 70 CEIDLP C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161375071 395064194 /nfs/dbraw/zinc/06/41/94/395064194.db2.gz MAPAOTPIBFFTFQ-QGZVFWFLSA-N 3 2 279.472 2.280 20 70 CEIDLP c1cn(CCN2CC[NH+](CC3CCCCC3)CC2)c[nH+]1 ZINC000159782063 366947637 /nfs/dbraw/zinc/94/76/37/366947637.db2.gz UUROGSHOUQGQAI-UHFFFAOYSA-N 2 2 276.428 2.081 20 70 CEIDLP CC[NH2+]CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161317332 367076608 /nfs/dbraw/zinc/07/66/08/367076608.db2.gz DJGKBDRTOLZWGO-UHFFFAOYSA-N 2 2 275.165 2.287 20 70 CEIDLP c1cn(CC[N@@H+]2CCCN(c3ccccc3)CC2)c[nH+]1 ZINC000161443202 367086358 /nfs/dbraw/zinc/08/63/58/367086358.db2.gz LZTCFHCZDPDKSM-UHFFFAOYSA-N 2 2 270.380 2.095 20 70 CEIDLP c1cn(CC[N@H+]2CCCN(c3ccccc3)CC2)c[nH+]1 ZINC000161443202 367086359 /nfs/dbraw/zinc/08/63/59/367086359.db2.gz LZTCFHCZDPDKSM-UHFFFAOYSA-N 2 2 270.380 2.095 20 70 CEIDLP c1nc2ccccn2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160561535 526610259 /nfs/dbraw/zinc/61/02/59/526610259.db2.gz YXBAILPSUNRJDY-OAHLLOKOSA-N 2 2 284.407 2.252 20 70 CEIDLP c1nc2ccccn2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160561535 526610265 /nfs/dbraw/zinc/61/02/65/526610265.db2.gz YXBAILPSUNRJDY-OAHLLOKOSA-N 2 2 284.407 2.252 20 70 CEIDLP Cc1cccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000159704911 366941617 /nfs/dbraw/zinc/94/16/17/366941617.db2.gz QOGDSQGGGNLQJW-UHFFFAOYSA-N 2 2 270.380 2.014 20 70 CEIDLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000161203317 367068895 /nfs/dbraw/zinc/06/88/95/367068895.db2.gz YOWGROPYTHTHOZ-LSDHHAIUSA-N 2 2 283.460 2.097 20 70 CEIDLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000161203317 367068899 /nfs/dbraw/zinc/06/88/99/367068899.db2.gz YOWGROPYTHTHOZ-LSDHHAIUSA-N 2 2 283.460 2.097 20 70 CEIDLP CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000161055434 280095932 /nfs/dbraw/zinc/09/59/32/280095932.db2.gz UJUBUZRNVTUHOJ-LSDHHAIUSA-N 2 2 254.418 2.362 20 70 CEIDLP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000161055434 280095934 /nfs/dbraw/zinc/09/59/34/280095934.db2.gz UJUBUZRNVTUHOJ-LSDHHAIUSA-N 2 2 254.418 2.362 20 70 CEIDLP c1[nH+]c2ccccn2c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160428917 312638222 /nfs/dbraw/zinc/63/82/22/312638222.db2.gz LSFLBUBVJHVFBH-HNNXBMFYSA-N 2 2 284.407 2.395 20 70 CEIDLP CC(=O)NC1CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000161289926 519644929 /nfs/dbraw/zinc/64/49/29/519644929.db2.gz KILKVWLARUKMHH-VBJONLRCSA-N 2 2 295.471 2.144 20 70 CEIDLP CC(=O)NC1CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000161289926 519644932 /nfs/dbraw/zinc/64/49/32/519644932.db2.gz KILKVWLARUKMHH-VBJONLRCSA-N 2 2 295.471 2.144 20 70 CEIDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000160601749 367021324 /nfs/dbraw/zinc/02/13/24/367021324.db2.gz WRCQHJRGKDHGJJ-UKRRQHHQSA-N 2 2 262.397 2.010 20 70 CEIDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000160601749 367021331 /nfs/dbraw/zinc/02/13/31/367021331.db2.gz WRCQHJRGKDHGJJ-UKRRQHHQSA-N 2 2 262.397 2.010 20 70 CEIDLP C[C@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000217566982 370198075 /nfs/dbraw/zinc/19/80/75/370198075.db2.gz TVRBHLFDTTVLFD-PNESKVBLSA-N 2 2 297.443 2.114 20 70 CEIDLP C[C@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000217566982 370198082 /nfs/dbraw/zinc/19/80/82/370198082.db2.gz TVRBHLFDTTVLFD-PNESKVBLSA-N 2 2 297.443 2.114 20 70 CEIDLP CC(C)[NH2+]C1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000159751556 162312416 /nfs/dbraw/zinc/31/24/16/162312416.db2.gz CYTOQRSOIOWYNQ-UHFFFAOYSA-N 2 2 272.396 2.297 20 70 CEIDLP C[C@H]1CCN(CCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000159863679 162316985 /nfs/dbraw/zinc/31/69/85/162316985.db2.gz PDXVOMUTXYEHLG-KRWDZBQOSA-N 2 2 298.434 2.480 20 70 CEIDLP C[C@H]1CCN(CCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000159863679 162316987 /nfs/dbraw/zinc/31/69/87/162316987.db2.gz PDXVOMUTXYEHLG-KRWDZBQOSA-N 2 2 298.434 2.480 20 70 CEIDLP COC[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000159914630 277586854 /nfs/dbraw/zinc/58/68/54/277586854.db2.gz JYJUULQPIKYQIF-KBPBESRZSA-N 2 2 277.412 2.232 20 70 CEIDLP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000160876539 312642637 /nfs/dbraw/zinc/64/26/37/312642637.db2.gz XNMCGIXUEQBRAE-CQSZACIVSA-N 2 2 272.396 2.250 20 70 CEIDLP CO[C@@H]1CC[C@H]2OCC[N@H+](CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000161457063 523725660 /nfs/dbraw/zinc/72/56/60/523725660.db2.gz CLSPPKUZRZRPHX-BRWVUGGUSA-N 2 2 296.455 2.131 20 70 CEIDLP CO[C@@H]1CC[C@H]2OCC[N@@H+](CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000161457063 523725665 /nfs/dbraw/zinc/72/56/65/523725665.db2.gz CLSPPKUZRZRPHX-BRWVUGGUSA-N 2 2 296.455 2.131 20 70 CEIDLP C[C@H]1C[C@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110411 366974659 /nfs/dbraw/zinc/97/46/59/366974659.db2.gz BUXKMJQYMDPYNL-WMLDXEAASA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110411 366974660 /nfs/dbraw/zinc/97/46/60/366974660.db2.gz BUXKMJQYMDPYNL-WMLDXEAASA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@H](NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110411 366974664 /nfs/dbraw/zinc/97/46/64/366974664.db2.gz BUXKMJQYMDPYNL-WMLDXEAASA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@H](NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110411 366974669 /nfs/dbraw/zinc/97/46/69/366974669.db2.gz BUXKMJQYMDPYNL-WMLDXEAASA-N 2 2 293.430 2.330 20 70 CEIDLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCOC1 ZINC000161199725 522617544 /nfs/dbraw/zinc/61/75/44/522617544.db2.gz CFLXECIARSFLKR-KKUMJFAQSA-N 2 2 254.418 2.266 20 70 CEIDLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@H]1CCOC1 ZINC000161199725 522617552 /nfs/dbraw/zinc/61/75/52/522617552.db2.gz CFLXECIARSFLKR-KKUMJFAQSA-N 2 2 254.418 2.266 20 70 CEIDLP C[C@@H]1C[C@@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405591 232254284 /nfs/dbraw/zinc/25/42/84/232254284.db2.gz GDDSXDNJBVGLCG-CVEARBPZSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@@H]1C[C@@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405591 232254286 /nfs/dbraw/zinc/25/42/86/232254286.db2.gz GDDSXDNJBVGLCG-CVEARBPZSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@@H]1C[C@@H]([N@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405591 232254288 /nfs/dbraw/zinc/25/42/88/232254288.db2.gz GDDSXDNJBVGLCG-CVEARBPZSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@@H]1C[C@@H]([N@@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405591 232254290 /nfs/dbraw/zinc/25/42/90/232254290.db2.gz GDDSXDNJBVGLCG-CVEARBPZSA-N 3 2 267.461 2.277 20 70 CEIDLP CC[NH2+]CC[NH2+]Cc1ccc(Br)cc1 ZINC000161315104 367076785 /nfs/dbraw/zinc/07/67/85/367076785.db2.gz XQBTWYIWQIJUFE-UHFFFAOYSA-N 2 2 257.175 2.148 20 70 CEIDLP C1CCC([N@@H+]2CC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)C1 ZINC000161446985 367087425 /nfs/dbraw/zinc/08/74/25/367087425.db2.gz AQPYRPXWSVFDSF-HNNXBMFYSA-N 2 2 294.439 2.279 20 70 CEIDLP C1CCC([N@H+]2CC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)C1 ZINC000161446985 367087428 /nfs/dbraw/zinc/08/74/28/367087428.db2.gz AQPYRPXWSVFDSF-HNNXBMFYSA-N 2 2 294.439 2.279 20 70 CEIDLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](c2ccccc2)O1 ZINC000159776718 395059216 /nfs/dbraw/zinc/05/92/16/395059216.db2.gz JYEUKHSMZDYXPB-GDBMZVCRSA-N 2 2 271.364 2.345 20 70 CEIDLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](c2ccccc2)O1 ZINC000159776718 395059222 /nfs/dbraw/zinc/05/92/22/395059222.db2.gz JYEUKHSMZDYXPB-GDBMZVCRSA-N 2 2 271.364 2.345 20 70 CEIDLP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000159731494 162313339 /nfs/dbraw/zinc/31/33/39/162313339.db2.gz ZAFQDWCGSGWJSD-AWEZNQCLSA-N 2 2 298.390 2.146 20 70 CEIDLP c1cn(CCN2CCC[C@H]([NH+]3CCCCCC3)C2)c[nH+]1 ZINC000159813791 162316970 /nfs/dbraw/zinc/31/69/70/162316970.db2.gz OUNKCQZRMVGROF-INIZCTEOSA-N 2 2 276.428 2.224 20 70 CEIDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403209 524556912 /nfs/dbraw/zinc/55/69/12/524556912.db2.gz PCHRUPMEBGWGCB-XIRDDKMYSA-N 3 2 281.488 2.427 20 70 CEIDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160403209 524556921 /nfs/dbraw/zinc/55/69/21/524556921.db2.gz PCHRUPMEBGWGCB-XIRDDKMYSA-N 3 2 281.488 2.427 20 70 CEIDLP c1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160561656 526609377 /nfs/dbraw/zinc/60/93/77/526609377.db2.gz YXBAILPSUNRJDY-HNNXBMFYSA-N 2 2 284.407 2.252 20 70 CEIDLP c1nc2ccccn2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160561656 526609385 /nfs/dbraw/zinc/60/93/85/526609385.db2.gz YXBAILPSUNRJDY-HNNXBMFYSA-N 2 2 284.407 2.252 20 70 CEIDLP CC[C@H](C)[N@H+](C)CCNCc1cn2ccccc2[nH+]1 ZINC000218318824 370208755 /nfs/dbraw/zinc/20/87/55/370208755.db2.gz HQHHEEONUZMVSO-ZDUSSCGKSA-N 2 2 260.385 2.154 20 70 CEIDLP CC[C@H](C)[N@@H+](C)CCNCc1cn2ccccc2[nH+]1 ZINC000218318824 370208761 /nfs/dbraw/zinc/20/87/61/370208761.db2.gz HQHHEEONUZMVSO-ZDUSSCGKSA-N 2 2 260.385 2.154 20 70 CEIDLP OCC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000160085515 162322568 /nfs/dbraw/zinc/32/25/68/162322568.db2.gz QBGZHLOYAURBNX-UHFFFAOYSA-N 2 2 289.423 2.193 20 70 CEIDLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000159833721 366953492 /nfs/dbraw/zinc/95/34/92/366953492.db2.gz VDGGYFIXNLJBPA-INIZCTEOSA-N 2 2 298.390 2.011 20 70 CEIDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000159833721 366953497 /nfs/dbraw/zinc/95/34/97/366953497.db2.gz VDGGYFIXNLJBPA-INIZCTEOSA-N 2 2 298.390 2.011 20 70 CEIDLP CCC[N@H+](CC)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160283725 366990809 /nfs/dbraw/zinc/99/08/09/366990809.db2.gz VNQHGKXSRAOPII-UHFFFAOYSA-N 2 2 294.447 2.205 20 70 CEIDLP CCC[N@@H+](CC)CCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160283725 366990816 /nfs/dbraw/zinc/99/08/16/366990816.db2.gz VNQHGKXSRAOPII-UHFFFAOYSA-N 2 2 294.447 2.205 20 70 CEIDLP C[N@H+](CCn1cc[nH+]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862291 162316526 /nfs/dbraw/zinc/31/65/26/162316526.db2.gz MOIHXYPXVSMNEZ-GOSISDBHSA-N 3 2 298.434 2.337 20 70 CEIDLP C[N@@H+](CCn1cc[nH+]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862291 162316530 /nfs/dbraw/zinc/31/65/30/162316530.db2.gz MOIHXYPXVSMNEZ-GOSISDBHSA-N 3 2 298.434 2.337 20 70 CEIDLP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000160400712 527177808 /nfs/dbraw/zinc/17/78/08/527177808.db2.gz ZZQIDKGTBVSEGX-AWEZNQCLSA-N 2 2 272.396 2.026 20 70 CEIDLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000160400712 527177811 /nfs/dbraw/zinc/17/78/11/527177811.db2.gz ZZQIDKGTBVSEGX-AWEZNQCLSA-N 2 2 272.396 2.026 20 70 CEIDLP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@@H+]1C1CC1 ZINC000160071883 366970357 /nfs/dbraw/zinc/97/03/57/366970357.db2.gz HNVZVOONFBCDOE-LNSITVRQSA-N 2 2 280.437 2.170 20 70 CEIDLP C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@H+]1C1CC1 ZINC000160071883 366970362 /nfs/dbraw/zinc/97/03/62/366970362.db2.gz HNVZVOONFBCDOE-LNSITVRQSA-N 2 2 280.437 2.170 20 70 CEIDLP Cc1ccc(C)c(OCC[N@@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160095177 366973975 /nfs/dbraw/zinc/97/39/75/366973975.db2.gz AUNXIEKQKUNMRS-OAHLLOKOSA-N 2 2 262.397 2.351 20 70 CEIDLP Cc1ccc(C)c(OCC[N@H+](C)[C@H](C[NH3+])C2CC2)c1 ZINC000160095177 366973979 /nfs/dbraw/zinc/97/39/79/366973979.db2.gz AUNXIEKQKUNMRS-OAHLLOKOSA-N 2 2 262.397 2.351 20 70 CEIDLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160709737 367030211 /nfs/dbraw/zinc/03/02/11/367030211.db2.gz OVUOCOMXQADYBQ-MRXNPFEDSA-N 2 2 295.471 2.195 20 70 CEIDLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160709737 367030216 /nfs/dbraw/zinc/03/02/16/367030216.db2.gz OVUOCOMXQADYBQ-MRXNPFEDSA-N 2 2 295.471 2.195 20 70 CEIDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000160601884 395061765 /nfs/dbraw/zinc/06/17/65/395061765.db2.gz WRCQHJRGKDHGJJ-DZGCQCFKSA-N 2 2 262.397 2.010 20 70 CEIDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000160601884 395061767 /nfs/dbraw/zinc/06/17/67/395061767.db2.gz WRCQHJRGKDHGJJ-DZGCQCFKSA-N 2 2 262.397 2.010 20 70 CEIDLP CC(C)(O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000160586781 519361949 /nfs/dbraw/zinc/36/19/49/519361949.db2.gz NUNSQEUNIYZGSK-UHFFFAOYSA-N 2 2 280.387 2.151 20 70 CEIDLP COc1ccc(CCC[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000159771468 366946268 /nfs/dbraw/zinc/94/62/68/366946268.db2.gz GFHUIYCGWIDPRJ-UHFFFAOYSA-N 2 2 273.380 2.456 20 70 CEIDLP COc1ccc(CCC[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000159771468 366946272 /nfs/dbraw/zinc/94/62/72/366946272.db2.gz GFHUIYCGWIDPRJ-UHFFFAOYSA-N 2 2 273.380 2.456 20 70 CEIDLP CCS[C@H]1CC[C@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000159860101 366954845 /nfs/dbraw/zinc/95/48/45/366954845.db2.gz STUQEOMBIDKMRE-STQMWFEESA-N 2 2 253.415 2.489 20 70 CEIDLP CCS[C@H]1CC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000159860101 366954851 /nfs/dbraw/zinc/95/48/51/366954851.db2.gz STUQEOMBIDKMRE-STQMWFEESA-N 2 2 253.415 2.489 20 70 CEIDLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000161213985 367069191 /nfs/dbraw/zinc/06/91/91/367069191.db2.gz XXKRYVBHCNPQFT-UHFFFAOYSA-N 2 2 257.337 2.305 20 70 CEIDLP C[N@H+](Cc1ccc2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000159706582 162313655 /nfs/dbraw/zinc/31/36/55/162313655.db2.gz COGCYEMFWXRWFI-INIZCTEOSA-N 2 2 255.365 2.404 20 70 CEIDLP C[N@@H+](Cc1ccc2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000159706582 162313656 /nfs/dbraw/zinc/31/36/56/162313656.db2.gz COGCYEMFWXRWFI-INIZCTEOSA-N 2 2 255.365 2.404 20 70 CEIDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2ccccn12 ZINC000161301006 521722837 /nfs/dbraw/zinc/72/28/37/521722837.db2.gz DPNUHBHYVMCRKL-CABCVRRESA-N 2 2 284.407 2.393 20 70 CEIDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2ccccn12 ZINC000161301006 521722838 /nfs/dbraw/zinc/72/28/38/521722838.db2.gz DPNUHBHYVMCRKL-CABCVRRESA-N 2 2 284.407 2.393 20 70 CEIDLP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@@H+]1C1CC1 ZINC000160071621 366969939 /nfs/dbraw/zinc/96/99/39/366969939.db2.gz HNVZVOONFBCDOE-WHOFXGATSA-N 2 2 280.437 2.170 20 70 CEIDLP C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@H+]1C1CC1 ZINC000160071621 366969946 /nfs/dbraw/zinc/96/99/46/366969946.db2.gz HNVZVOONFBCDOE-WHOFXGATSA-N 2 2 280.437 2.170 20 70 CEIDLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217643813 370198581 /nfs/dbraw/zinc/19/85/81/370198581.db2.gz XCSQHVGVGPGQIF-HOTGVXAUSA-N 2 2 260.381 2.412 20 70 CEIDLP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217643813 370198587 /nfs/dbraw/zinc/19/85/87/370198587.db2.gz XCSQHVGVGPGQIF-HOTGVXAUSA-N 2 2 260.381 2.412 20 70 CEIDLP Cc1ccc2c(C[N@@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000160127967 280095572 /nfs/dbraw/zinc/09/55/72/280095572.db2.gz VUXMOXIRMGRFDM-HNNXBMFYSA-N 2 2 286.375 2.271 20 70 CEIDLP Cc1ccc2c(C[N@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000160127967 280095577 /nfs/dbraw/zinc/09/55/77/280095577.db2.gz VUXMOXIRMGRFDM-HNNXBMFYSA-N 2 2 286.375 2.271 20 70 CEIDLP CCCn1nccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000160127655 540112088 /nfs/dbraw/zinc/11/20/88/540112088.db2.gz GJECXWKVTQSLDV-UHFFFAOYSA-N 2 2 261.373 2.060 20 70 CEIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161212530 540742954 /nfs/dbraw/zinc/74/29/54/540742954.db2.gz YOYCZMBOQOTLJD-GOEBONIOSA-N 3 2 267.461 2.181 20 70 CEIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161212530 540742956 /nfs/dbraw/zinc/74/29/56/540742956.db2.gz YOYCZMBOQOTLJD-GOEBONIOSA-N 3 2 267.461 2.181 20 70 CEIDLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000159830501 366952124 /nfs/dbraw/zinc/95/21/24/366952124.db2.gz WHDPMENRISVLCB-INIZCTEOSA-N 2 2 298.390 2.011 20 70 CEIDLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000159830501 366952126 /nfs/dbraw/zinc/95/21/26/366952126.db2.gz WHDPMENRISVLCB-INIZCTEOSA-N 2 2 298.390 2.011 20 70 CEIDLP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC ZINC000161291475 367075901 /nfs/dbraw/zinc/07/59/01/367075901.db2.gz WASUWSVYOLKNPZ-AWEZNQCLSA-N 2 2 292.423 2.477 20 70 CEIDLP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC ZINC000161291475 367075904 /nfs/dbraw/zinc/07/59/04/367075904.db2.gz WASUWSVYOLKNPZ-AWEZNQCLSA-N 2 2 292.423 2.477 20 70 CEIDLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1OC ZINC000161291475 367075911 /nfs/dbraw/zinc/07/59/11/367075911.db2.gz WASUWSVYOLKNPZ-AWEZNQCLSA-N 2 2 292.423 2.477 20 70 CEIDLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1OC ZINC000161291475 367075914 /nfs/dbraw/zinc/07/59/14/367075914.db2.gz WASUWSVYOLKNPZ-AWEZNQCLSA-N 2 2 292.423 2.477 20 70 CEIDLP Cc1cccn2cc(CSCC[NH+]3CCOCC3)[nH+]c12 ZINC000159805784 366950119 /nfs/dbraw/zinc/95/01/19/366950119.db2.gz QVKZACJJOGGSCY-UHFFFAOYSA-N 2 2 291.420 2.208 20 70 CEIDLP C[C@@H]1C[C@@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000160110540 366974868 /nfs/dbraw/zinc/97/48/68/366974868.db2.gz BUXKMJQYMDPYNL-PBHICJAKSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@@H]1C[C@@H](NCC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160110540 366974870 /nfs/dbraw/zinc/97/48/70/366974870.db2.gz BUXKMJQYMDPYNL-PBHICJAKSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@@H]1C[C@@H](NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110540 366974874 /nfs/dbraw/zinc/97/48/74/366974874.db2.gz BUXKMJQYMDPYNL-PBHICJAKSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@@H]1C[C@@H](NCC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160110540 366974878 /nfs/dbraw/zinc/97/48/78/366974878.db2.gz BUXKMJQYMDPYNL-PBHICJAKSA-N 2 2 293.430 2.330 20 70 CEIDLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccccn23)CC[N@@H+]1C ZINC000160590880 367021170 /nfs/dbraw/zinc/02/11/70/367021170.db2.gz ZHEIUWPXWCWXHK-UONOGXRCSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccccn23)CC[N@H+]1C ZINC000160590880 367021177 /nfs/dbraw/zinc/02/11/77/367021177.db2.gz ZHEIUWPXWCWXHK-UONOGXRCSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160590880 367021183 /nfs/dbraw/zinc/02/11/83/367021183.db2.gz ZHEIUWPXWCWXHK-UONOGXRCSA-N 2 2 272.396 2.249 20 70 CEIDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccccn23)CC[NH+]1C ZINC000160590880 367021188 /nfs/dbraw/zinc/02/11/88/367021188.db2.gz ZHEIUWPXWCWXHK-UONOGXRCSA-N 2 2 272.396 2.249 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000160038446 162322735 /nfs/dbraw/zinc/32/27/35/162322735.db2.gz KEBQNORBDRQCOM-UKRRQHHQSA-N 2 2 277.412 2.441 20 70 CEIDLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000160038446 162322738 /nfs/dbraw/zinc/32/27/38/162322738.db2.gz KEBQNORBDRQCOM-UKRRQHHQSA-N 2 2 277.412 2.441 20 70 CEIDLP CN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@@H](C[NH3+])C1CC1 ZINC000159999197 276997745 /nfs/dbraw/zinc/99/77/45/276997745.db2.gz KJHRZWLPVKWOTH-ZDUSSCGKSA-N 2 2 278.787 2.157 20 70 CEIDLP CC(=O)NC1CCC([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000161379998 277024625 /nfs/dbraw/zinc/02/46/25/277024625.db2.gz OVPUBCZABNJCII-ODIFPOPNSA-N 2 2 295.471 2.144 20 70 CEIDLP CC[N@@H+](C)C[C@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000161396811 279039664 /nfs/dbraw/zinc/03/96/64/279039664.db2.gz FHBPSEBWAVSNMI-MRXNPFEDSA-N 3 2 267.461 2.136 20 70 CEIDLP CC[N@H+](C)C[C@H]1CC[NH+](CCC[NH+]2CCCCC2)C1 ZINC000161396811 279039661 /nfs/dbraw/zinc/03/96/61/279039661.db2.gz FHBPSEBWAVSNMI-MRXNPFEDSA-N 3 2 267.461 2.136 20 70 CEIDLP CC[NH+](C)C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161396811 279039666 /nfs/dbraw/zinc/03/96/66/279039666.db2.gz FHBPSEBWAVSNMI-MRXNPFEDSA-N 3 2 267.461 2.136 20 70 CEIDLP CC[NH+](C)C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161396811 279039668 /nfs/dbraw/zinc/03/96/68/279039668.db2.gz FHBPSEBWAVSNMI-MRXNPFEDSA-N 3 2 267.461 2.136 20 70 CEIDLP C(C[NH+]1CCCCC1)C[N@@H+]1CCOCC12CCC2 ZINC000161447300 518385534 /nfs/dbraw/zinc/38/55/34/518385534.db2.gz OWBOWTGIXWGUKX-UHFFFAOYSA-N 2 2 252.402 2.117 20 70 CEIDLP C(C[NH+]1CCCCC1)C[N@H+]1CCOCC12CCC2 ZINC000161447300 518385544 /nfs/dbraw/zinc/38/55/44/518385544.db2.gz OWBOWTGIXWGUKX-UHFFFAOYSA-N 2 2 252.402 2.117 20 70 CEIDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160866126 520742290 /nfs/dbraw/zinc/74/22/90/520742290.db2.gz WRFCXLKVFNXXFY-OAHLLOKOSA-N 2 2 286.423 2.498 20 70 CEIDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160866126 520742295 /nfs/dbraw/zinc/74/22/95/520742295.db2.gz WRFCXLKVFNXXFY-OAHLLOKOSA-N 2 2 286.423 2.498 20 70 CEIDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cc[nH+]c1 ZINC000159845624 366952719 /nfs/dbraw/zinc/95/27/19/366952719.db2.gz HUHVHYDJDGROFP-QGZVFWFLSA-N 2 2 298.434 2.480 20 70 CEIDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCn1cc[nH+]c1 ZINC000159845624 366952724 /nfs/dbraw/zinc/95/27/24/366952724.db2.gz HUHVHYDJDGROFP-QGZVFWFLSA-N 2 2 298.434 2.480 20 70 CEIDLP CCn1nccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000160030095 539278456 /nfs/dbraw/zinc/27/84/56/539278456.db2.gz IXVUBOFUEKCUKY-UHFFFAOYSA-N 2 2 299.422 2.052 20 70 CEIDLP C[C@H](c1ccsc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000160500258 367010985 /nfs/dbraw/zinc/01/09/85/367010985.db2.gz KGLRMBWNECUBFO-GFCCVEGCSA-N 2 2 276.409 2.350 20 70 CEIDLP C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@H](C)[N@H+]1C ZINC000160190697 288271091 /nfs/dbraw/zinc/27/10/91/288271091.db2.gz IJQRBGPSUJVMNK-AOOOYVTPSA-N 2 2 284.201 2.373 20 70 CEIDLP C[C@@H]1CN(c2cc[nH+]cc2Br)C[C@H](C)[N@@H+]1C ZINC000160190697 288271094 /nfs/dbraw/zinc/27/10/94/288271094.db2.gz IJQRBGPSUJVMNK-AOOOYVTPSA-N 2 2 284.201 2.373 20 70 CEIDLP CC[NH+]1CCC([N@H+](C)CCCCn2cc[nH+]c2C)CC1 ZINC000161352643 521561576 /nfs/dbraw/zinc/56/15/76/521561576.db2.gz LAXYDGVWFRFSDY-UHFFFAOYSA-N 3 2 278.444 2.388 20 70 CEIDLP CC[NH+]1CCC([N@@H+](C)CCCCn2cc[nH+]c2C)CC1 ZINC000161352643 521561582 /nfs/dbraw/zinc/56/15/82/521561582.db2.gz LAXYDGVWFRFSDY-UHFFFAOYSA-N 3 2 278.444 2.388 20 70 CEIDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCOC1 ZINC000161199619 522853785 /nfs/dbraw/zinc/85/37/85/522853785.db2.gz CFLXECIARSFLKR-QLFBSQMISA-N 2 2 254.418 2.266 20 70 CEIDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@@H]1CCOC1 ZINC000161199619 522853791 /nfs/dbraw/zinc/85/37/91/522853791.db2.gz CFLXECIARSFLKR-QLFBSQMISA-N 2 2 254.418 2.266 20 70 CEIDLP CCCn1nccc1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000159988942 540109607 /nfs/dbraw/zinc/10/96/07/540109607.db2.gz RNCOVDDXWRGIBH-UHFFFAOYSA-N 2 2 264.417 2.257 20 70 CEIDLP CO[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)[C@H](C[NH3+])C1 ZINC000160982788 367047363 /nfs/dbraw/zinc/04/73/63/367047363.db2.gz POKWJFBUJLTACL-UONOGXRCSA-N 2 2 280.437 2.347 20 70 CEIDLP CO[C@@H]1CC[N@@H+](Cc2ccc(SC)cc2)[C@H](C[NH3+])C1 ZINC000160982788 367047367 /nfs/dbraw/zinc/04/73/67/367047367.db2.gz POKWJFBUJLTACL-UONOGXRCSA-N 2 2 280.437 2.347 20 70 CEIDLP C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000161124329 367059631 /nfs/dbraw/zinc/05/96/31/367059631.db2.gz UASVXGVTJLCGHM-GFCCVEGCSA-N 2 2 259.353 2.121 20 70 CEIDLP COCC[N@H+](C)CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000159403068 395058546 /nfs/dbraw/zinc/05/85/46/395058546.db2.gz MFGLNJZNBOSZBI-INIZCTEOSA-N 2 2 294.464 2.185 20 70 CEIDLP COCC[N@@H+](C)CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000159403068 395058550 /nfs/dbraw/zinc/05/85/50/395058550.db2.gz MFGLNJZNBOSZBI-INIZCTEOSA-N 2 2 294.464 2.185 20 70 CEIDLP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H](C[NH3+])C1CC1 ZINC000160030723 366967108 /nfs/dbraw/zinc/96/71/08/366967108.db2.gz KOHVPMCFTLZUGK-GFCCVEGCSA-N 2 2 282.771 2.238 20 70 CEIDLP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)[C@H](C[NH3+])C1CC1 ZINC000160030723 366967113 /nfs/dbraw/zinc/96/71/13/366967113.db2.gz KOHVPMCFTLZUGK-GFCCVEGCSA-N 2 2 282.771 2.238 20 70 CEIDLP C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160110119 366975593 /nfs/dbraw/zinc/97/55/93/366975593.db2.gz LBLGJTPJEOEJNM-INIZCTEOSA-N 2 2 270.380 2.041 20 70 CEIDLP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160110119 366975602 /nfs/dbraw/zinc/97/56/02/366975602.db2.gz LBLGJTPJEOEJNM-INIZCTEOSA-N 2 2 270.380 2.041 20 70 CEIDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160110119 366975607 /nfs/dbraw/zinc/97/56/07/366975607.db2.gz LBLGJTPJEOEJNM-INIZCTEOSA-N 3 2 270.380 2.041 20 70 CEIDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160110119 366975613 /nfs/dbraw/zinc/97/56/13/366975613.db2.gz LBLGJTPJEOEJNM-INIZCTEOSA-N 3 2 270.380 2.041 20 70 CEIDLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@@H+]1C1CC1 ZINC000160071506 366970530 /nfs/dbraw/zinc/97/05/30/366970530.db2.gz HNVZVOONFBCDOE-ZLDLUXBVSA-N 2 2 280.437 2.170 20 70 CEIDLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@H+]1C1CC1 ZINC000160071506 366970539 /nfs/dbraw/zinc/97/05/39/366970539.db2.gz HNVZVOONFBCDOE-ZLDLUXBVSA-N 2 2 280.437 2.170 20 70 CEIDLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160709600 276319105 /nfs/dbraw/zinc/31/91/05/276319105.db2.gz OVUOCOMXQADYBQ-INIZCTEOSA-N 2 2 295.471 2.195 20 70 CEIDLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160709600 276319107 /nfs/dbraw/zinc/31/91/07/276319107.db2.gz OVUOCOMXQADYBQ-INIZCTEOSA-N 2 2 295.471 2.195 20 70 CEIDLP Cc1ccc2c(C[N@@H+](C)[C@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000160128093 280095551 /nfs/dbraw/zinc/09/55/51/280095551.db2.gz VUXMOXIRMGRFDM-OAHLLOKOSA-N 2 2 286.375 2.271 20 70 CEIDLP Cc1ccc2c(C[N@H+](C)[C@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000160128093 280095553 /nfs/dbraw/zinc/09/55/53/280095553.db2.gz VUXMOXIRMGRFDM-OAHLLOKOSA-N 2 2 286.375 2.271 20 70 CEIDLP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000160114803 366974802 /nfs/dbraw/zinc/97/48/02/366974802.db2.gz CWXOYTGGCPBQKK-OAHLLOKOSA-N 3 2 290.455 2.370 20 70 CEIDLP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000160114803 366974806 /nfs/dbraw/zinc/97/48/06/366974806.db2.gz CWXOYTGGCPBQKK-OAHLLOKOSA-N 3 2 290.455 2.370 20 70 CEIDLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@@H+]1C1CC1 ZINC000160071745 366970733 /nfs/dbraw/zinc/97/07/33/366970733.db2.gz HNVZVOONFBCDOE-KYOSRNDESA-N 2 2 280.437 2.170 20 70 CEIDLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@H+]1C1CC1 ZINC000160071745 366970737 /nfs/dbraw/zinc/97/07/37/366970737.db2.gz HNVZVOONFBCDOE-KYOSRNDESA-N 2 2 280.437 2.170 20 70 CEIDLP CCc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000161019279 367049756 /nfs/dbraw/zinc/04/97/56/367049756.db2.gz RFFDEVSSZWLLEA-HZPDHXFCSA-N 2 2 262.397 2.187 20 70 CEIDLP CCc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000161019279 367049759 /nfs/dbraw/zinc/04/97/59/367049759.db2.gz RFFDEVSSZWLLEA-HZPDHXFCSA-N 2 2 262.397 2.187 20 70 CEIDLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000161203434 367068706 /nfs/dbraw/zinc/06/87/06/367068706.db2.gz YOWGROPYTHTHOZ-GJZGRUSLSA-N 2 2 283.460 2.097 20 70 CEIDLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000161203434 367068710 /nfs/dbraw/zinc/06/87/10/367068710.db2.gz YOWGROPYTHTHOZ-GJZGRUSLSA-N 2 2 283.460 2.097 20 70 CEIDLP Cc1cccc([C@H]2CCC[N@H+]2Cc2c[nH+]cn2C)n1 ZINC000159837973 162315314 /nfs/dbraw/zinc/31/53/14/162315314.db2.gz PZHBNTNAGYXCEC-OAHLLOKOSA-N 2 2 256.353 2.461 20 70 CEIDLP Cc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH+]cn2C)n1 ZINC000159837973 162315316 /nfs/dbraw/zinc/31/53/16/162315316.db2.gz PZHBNTNAGYXCEC-OAHLLOKOSA-N 2 2 256.353 2.461 20 70 CEIDLP CCS[C@@H]1CC[C@@H]([N@H+](C)CCn2cc[nH+]c2)C1 ZINC000159860237 276398790 /nfs/dbraw/zinc/39/87/90/276398790.db2.gz STUQEOMBIDKMRE-CHWSQXEVSA-N 2 2 253.415 2.489 20 70 CEIDLP CCS[C@@H]1CC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1 ZINC000159860237 276398791 /nfs/dbraw/zinc/39/87/91/276398791.db2.gz STUQEOMBIDKMRE-CHWSQXEVSA-N 2 2 253.415 2.489 20 70 CEIDLP COCC[N@H+](C)CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000159402919 366908860 /nfs/dbraw/zinc/90/88/60/366908860.db2.gz MFGLNJZNBOSZBI-MRXNPFEDSA-N 2 2 294.464 2.185 20 70 CEIDLP COCC[N@@H+](C)CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000159402919 366908870 /nfs/dbraw/zinc/90/88/70/366908870.db2.gz MFGLNJZNBOSZBI-MRXNPFEDSA-N 2 2 294.464 2.185 20 70 CEIDLP CCc1ccc([C@@H]2COCC[N@@H+]2CCn2cc[nH+]c2)o1 ZINC000159835656 366953066 /nfs/dbraw/zinc/95/30/66/366953066.db2.gz CUSVIDMPDBUAQH-AWEZNQCLSA-N 2 2 275.352 2.112 20 70 CEIDLP CCc1ccc([C@@H]2COCC[N@H+]2CCn2cc[nH+]c2)o1 ZINC000159835656 366953070 /nfs/dbraw/zinc/95/30/70/366953070.db2.gz CUSVIDMPDBUAQH-AWEZNQCLSA-N 2 2 275.352 2.112 20 70 CEIDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000161183460 367065251 /nfs/dbraw/zinc/06/52/51/367065251.db2.gz KXDZHYDPJCFCRW-CQSZACIVSA-N 2 2 289.414 2.180 20 70 CEIDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000161183460 367065254 /nfs/dbraw/zinc/06/52/54/367065254.db2.gz KXDZHYDPJCFCRW-CQSZACIVSA-N 2 2 289.414 2.180 20 70 CEIDLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217643742 370197889 /nfs/dbraw/zinc/19/78/89/370197889.db2.gz XCSQHVGVGPGQIF-CVEARBPZSA-N 2 2 260.381 2.412 20 70 CEIDLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217643742 370197892 /nfs/dbraw/zinc/19/78/92/370197892.db2.gz XCSQHVGVGPGQIF-CVEARBPZSA-N 2 2 260.381 2.412 20 70 CEIDLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161375181 395064429 /nfs/dbraw/zinc/06/44/29/395064429.db2.gz MAPAOTPIBFFTFQ-KRWDZBQOSA-N 3 2 279.472 2.280 20 70 CEIDLP C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000161375181 395064432 /nfs/dbraw/zinc/06/44/32/395064432.db2.gz MAPAOTPIBFFTFQ-KRWDZBQOSA-N 3 2 279.472 2.280 20 70 CEIDLP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862134 162317236 /nfs/dbraw/zinc/31/72/36/162317236.db2.gz MOIHXYPXVSMNEZ-SFHVURJKSA-N 3 2 298.434 2.337 20 70 CEIDLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159862134 162317237 /nfs/dbraw/zinc/31/72/37/162317237.db2.gz MOIHXYPXVSMNEZ-SFHVURJKSA-N 3 2 298.434 2.337 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160313963 366993000 /nfs/dbraw/zinc/99/30/00/366993000.db2.gz MEYHHPOKSUWWBG-JGGQBBKZSA-N 2 2 286.423 2.461 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn21 ZINC000160313963 366993006 /nfs/dbraw/zinc/99/30/06/366993006.db2.gz MEYHHPOKSUWWBG-JGGQBBKZSA-N 2 2 286.423 2.461 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160313711 366993162 /nfs/dbraw/zinc/99/31/62/366993162.db2.gz MEYHHPOKSUWWBG-DUVNUKRYSA-N 2 2 286.423 2.461 20 70 CEIDLP Cc1cccc2nc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn21 ZINC000160313711 366993167 /nfs/dbraw/zinc/99/31/67/366993167.db2.gz MEYHHPOKSUWWBG-DUVNUKRYSA-N 2 2 286.423 2.461 20 70 CEIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000160855308 162327358 /nfs/dbraw/zinc/32/73/58/162327358.db2.gz SVGYKBVYTGIKEN-ZIAGYGMSSA-N 2 2 298.789 2.432 20 70 CEIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000160855308 162327361 /nfs/dbraw/zinc/32/73/61/162327361.db2.gz SVGYKBVYTGIKEN-ZIAGYGMSSA-N 2 2 298.789 2.432 20 70 CEIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161212647 540742931 /nfs/dbraw/zinc/74/29/31/540742931.db2.gz YOYCZMBOQOTLJD-HOCLYGCPSA-N 3 2 267.461 2.181 20 70 CEIDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000161212647 540742933 /nfs/dbraw/zinc/74/29/33/540742933.db2.gz YOYCZMBOQOTLJD-HOCLYGCPSA-N 3 2 267.461 2.181 20 70 CEIDLP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000161293557 395063542 /nfs/dbraw/zinc/06/35/42/395063542.db2.gz NAENOEABTGGJGM-CQSZACIVSA-N 2 2 254.418 2.362 20 70 CEIDLP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000161293557 395063543 /nfs/dbraw/zinc/06/35/43/395063543.db2.gz NAENOEABTGGJGM-CQSZACIVSA-N 2 2 254.418 2.362 20 70 CEIDLP Fc1ccc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)cc1F ZINC000159796753 162316260 /nfs/dbraw/zinc/31/62/60/162316260.db2.gz KMJANAJLZNPKJU-OAHLLOKOSA-N 2 2 293.317 2.235 20 70 CEIDLP Fc1ccc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)cc1F ZINC000159796753 162316265 /nfs/dbraw/zinc/31/62/65/162316265.db2.gz KMJANAJLZNPKJU-OAHLLOKOSA-N 2 2 293.317 2.235 20 70 CEIDLP C[N@H+](Cc1ccccc1)CC(C)(C)NCc1[nH]cc[nH+]1 ZINC000159368203 366906129 /nfs/dbraw/zinc/90/61/29/366906129.db2.gz RLSFIEBOUHZEAV-UHFFFAOYSA-N 2 2 272.396 2.410 20 70 CEIDLP C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1[nH]cc[nH+]1 ZINC000159368203 366906135 /nfs/dbraw/zinc/90/61/35/366906135.db2.gz RLSFIEBOUHZEAV-UHFFFAOYSA-N 2 2 272.396 2.410 20 70 CEIDLP CCc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000161019141 367049450 /nfs/dbraw/zinc/04/94/50/367049450.db2.gz RFFDEVSSZWLLEA-CVEARBPZSA-N 2 2 262.397 2.187 20 70 CEIDLP CCc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000161019141 367049455 /nfs/dbraw/zinc/04/94/55/367049455.db2.gz RFFDEVSSZWLLEA-CVEARBPZSA-N 2 2 262.397 2.187 20 70 CEIDLP CO[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H](C[NH3+])C1 ZINC000161010994 367050106 /nfs/dbraw/zinc/05/01/06/367050106.db2.gz UYVKLQBSUNJMAT-CVEARBPZSA-N 2 2 262.397 2.242 20 70 CEIDLP CO[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H](C[NH3+])C1 ZINC000161010994 367050109 /nfs/dbraw/zinc/05/01/09/367050109.db2.gz UYVKLQBSUNJMAT-CVEARBPZSA-N 2 2 262.397 2.242 20 70 CEIDLP COC[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000159914753 277244978 /nfs/dbraw/zinc/24/49/78/277244978.db2.gz JYJUULQPIKYQIF-KGLIPLIRSA-N 2 2 277.412 2.232 20 70 CEIDLP C[C@@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000217566914 280209356 /nfs/dbraw/zinc/20/93/56/280209356.db2.gz TVRBHLFDTTVLFD-HIFPTAJRSA-N 2 2 297.443 2.114 20 70 CEIDLP C[C@@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000217566914 280209357 /nfs/dbraw/zinc/20/93/57/280209357.db2.gz TVRBHLFDTTVLFD-HIFPTAJRSA-N 2 2 297.443 2.114 20 70 CEIDLP C[C@@H]1C[C@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@@H+]1C ZINC000161405323 533894927 /nfs/dbraw/zinc/89/49/27/533894927.db2.gz GDDSXDNJBVGLCG-HZPDHXFCSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@@H]1C[C@H]([NH+](C)CCC[NH+]2CCCCC2)CC[N@H+]1C ZINC000161405323 533894937 /nfs/dbraw/zinc/89/49/37/533894937.db2.gz GDDSXDNJBVGLCG-HZPDHXFCSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@@H]1C[C@H]([N@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405323 533894940 /nfs/dbraw/zinc/89/49/40/533894940.db2.gz GDDSXDNJBVGLCG-HZPDHXFCSA-N 3 2 267.461 2.277 20 70 CEIDLP C[C@@H]1C[C@H]([N@@H+](C)CCC[NH+]2CCCCC2)CC[NH+]1C ZINC000161405323 533894949 /nfs/dbraw/zinc/89/49/49/533894949.db2.gz GDDSXDNJBVGLCG-HZPDHXFCSA-N 3 2 267.461 2.277 20 70 CEIDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160865992 520727148 /nfs/dbraw/zinc/72/71/48/520727148.db2.gz WRFCXLKVFNXXFY-HNNXBMFYSA-N 2 2 286.423 2.498 20 70 CEIDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160865992 520727154 /nfs/dbraw/zinc/72/71/54/520727154.db2.gz WRFCXLKVFNXXFY-HNNXBMFYSA-N 2 2 286.423 2.498 20 70 CEIDLP CC[NH2+]CC[NH2+]Cc1ccc(Br)cc1C ZINC000161321581 367078627 /nfs/dbraw/zinc/07/86/27/367078627.db2.gz YYUMLRXTOUQMMO-UHFFFAOYSA-N 2 2 271.202 2.457 20 70 CEIDLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217699690 370200258 /nfs/dbraw/zinc/20/02/58/370200258.db2.gz IELAOJMGYGPLMU-LZWOXQAQSA-N 2 2 274.412 2.014 20 70 CEIDLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217699690 370200263 /nfs/dbraw/zinc/20/02/63/370200263.db2.gz IELAOJMGYGPLMU-LZWOXQAQSA-N 2 2 274.412 2.014 20 70 CEIDLP C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160110261 366975357 /nfs/dbraw/zinc/97/53/57/366975357.db2.gz LBLGJTPJEOEJNM-MRXNPFEDSA-N 2 2 270.380 2.041 20 70 CEIDLP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160110261 366975361 /nfs/dbraw/zinc/97/53/61/366975361.db2.gz LBLGJTPJEOEJNM-MRXNPFEDSA-N 2 2 270.380 2.041 20 70 CEIDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160110261 366975367 /nfs/dbraw/zinc/97/53/67/366975367.db2.gz LBLGJTPJEOEJNM-MRXNPFEDSA-N 3 2 270.380 2.041 20 70 CEIDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160110261 366975373 /nfs/dbraw/zinc/97/53/73/366975373.db2.gz LBLGJTPJEOEJNM-MRXNPFEDSA-N 3 2 270.380 2.041 20 70 CEIDLP CC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000161192761 367067099 /nfs/dbraw/zinc/06/70/99/367067099.db2.gz KOXVYMBCXSOXTD-UHFFFAOYSA-N 2 2 271.364 2.219 20 70 CEIDLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000217550003 370197211 /nfs/dbraw/zinc/19/72/11/370197211.db2.gz KWRPVOBNYWOCGE-CHWSQXEVSA-N 2 2 262.397 2.396 20 70 CEIDLP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000217550003 370197218 /nfs/dbraw/zinc/19/72/18/370197218.db2.gz KWRPVOBNYWOCGE-CHWSQXEVSA-N 2 2 262.397 2.396 20 70 CEIDLP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160095048 366974010 /nfs/dbraw/zinc/97/40/10/366974010.db2.gz AUNXIEKQKUNMRS-HNNXBMFYSA-N 2 2 262.397 2.351 20 70 CEIDLP Cc1ccc(C)c(OCC[N@H+](C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160095048 366974018 /nfs/dbraw/zinc/97/40/18/366974018.db2.gz AUNXIEKQKUNMRS-HNNXBMFYSA-N 2 2 262.397 2.351 20 70 CEIDLP Cc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc(C)[nH+]1 ZINC000160672143 367024956 /nfs/dbraw/zinc/02/49/56/367024956.db2.gz MLMHMGXIDCPHOV-UHFFFAOYSA-N 2 2 285.395 2.286 20 70 CEIDLP C[N@H+](CCOc1ccccc1F)CCn1cc[nH+]c1 ZINC000161317645 367076980 /nfs/dbraw/zinc/07/69/80/367076980.db2.gz WYNZIOQFFVKOFS-UHFFFAOYSA-N 2 2 263.316 2.033 20 70 CEIDLP C[N@@H+](CCOc1ccccc1F)CCn1cc[nH+]c1 ZINC000161317645 367076987 /nfs/dbraw/zinc/07/69/87/367076987.db2.gz WYNZIOQFFVKOFS-UHFFFAOYSA-N 2 2 263.316 2.033 20 70 CEIDLP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160070114 529689882 /nfs/dbraw/zinc/68/98/82/529689882.db2.gz HDBGWBDRIFNRKM-LBPRGKRZSA-N 2 2 295.393 2.333 20 70 CEIDLP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160070114 529689884 /nfs/dbraw/zinc/68/98/84/529689884.db2.gz HDBGWBDRIFNRKM-LBPRGKRZSA-N 2 2 295.393 2.333 20 70 CEIDLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)nc1 ZINC000159870314 366957087 /nfs/dbraw/zinc/95/70/87/366957087.db2.gz DJCTWWPCEJBDTL-UHFFFAOYSA-N 2 2 250.733 2.064 20 70 CEIDLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)nc1 ZINC000159870314 366957095 /nfs/dbraw/zinc/95/70/95/366957095.db2.gz DJCTWWPCEJBDTL-UHFFFAOYSA-N 2 2 250.733 2.064 20 70 CEIDLP CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000160974190 395062653 /nfs/dbraw/zinc/06/26/53/395062653.db2.gz IWKOTBNLCGXBDK-HZPDHXFCSA-N 2 2 262.397 2.242 20 70 CEIDLP CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000160974190 395062654 /nfs/dbraw/zinc/06/26/54/395062654.db2.gz IWKOTBNLCGXBDK-HZPDHXFCSA-N 2 2 262.397 2.242 20 70 CEIDLP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000159664077 344455764 /nfs/dbraw/zinc/45/57/64/344455764.db2.gz LABQHGHAEKTFRG-UHFFFAOYSA-N 2 2 290.455 2.261 20 70 CEIDLP Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000159671025 366937004 /nfs/dbraw/zinc/93/70/04/366937004.db2.gz ZOSAEHKXXKPPSI-HNNXBMFYSA-N 2 2 274.408 2.451 20 70 CEIDLP Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000159671025 366937009 /nfs/dbraw/zinc/93/70/09/366937009.db2.gz ZOSAEHKXXKPPSI-HNNXBMFYSA-N 2 2 274.408 2.451 20 70 CEIDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@@H+]1Cc1ccccc1 ZINC000160601620 367021394 /nfs/dbraw/zinc/02/13/94/367021394.db2.gz WRCQHJRGKDHGJJ-ZFWWWQNUSA-N 2 2 262.397 2.010 20 70 CEIDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)O)C[N@H+]1Cc1ccccc1 ZINC000160601620 367021397 /nfs/dbraw/zinc/02/13/97/367021397.db2.gz WRCQHJRGKDHGJJ-ZFWWWQNUSA-N 2 2 262.397 2.010 20 70 CEIDLP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC ZINC000161291598 278009828 /nfs/dbraw/zinc/00/98/28/278009828.db2.gz WASUWSVYOLKNPZ-CQSZACIVSA-N 2 2 292.423 2.477 20 70 CEIDLP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC ZINC000161291598 278009832 /nfs/dbraw/zinc/00/98/32/278009832.db2.gz WASUWSVYOLKNPZ-CQSZACIVSA-N 2 2 292.423 2.477 20 70 CEIDLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1OC ZINC000161291598 278009833 /nfs/dbraw/zinc/00/98/33/278009833.db2.gz WASUWSVYOLKNPZ-CQSZACIVSA-N 2 2 292.423 2.477 20 70 CEIDLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1OC ZINC000161291598 278009835 /nfs/dbraw/zinc/00/98/35/278009835.db2.gz WASUWSVYOLKNPZ-CQSZACIVSA-N 2 2 292.423 2.477 20 70 CEIDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160881363 520256168 /nfs/dbraw/zinc/25/61/68/520256168.db2.gz BTOKAYFCXUOPAB-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160881363 520256178 /nfs/dbraw/zinc/25/61/78/520256178.db2.gz BTOKAYFCXUOPAB-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160881363 520256184 /nfs/dbraw/zinc/25/61/84/520256184.db2.gz BTOKAYFCXUOPAB-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160881363 520256192 /nfs/dbraw/zinc/25/61/92/520256192.db2.gz BTOKAYFCXUOPAB-CQSZACIVSA-N 2 2 272.396 2.108 20 70 CEIDLP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000160114891 366974939 /nfs/dbraw/zinc/97/49/39/366974939.db2.gz CWXOYTGGCPBQKK-HNNXBMFYSA-N 3 2 290.455 2.370 20 70 CEIDLP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000160114891 366974940 /nfs/dbraw/zinc/97/49/40/366974940.db2.gz CWXOYTGGCPBQKK-HNNXBMFYSA-N 3 2 290.455 2.370 20 70 CEIDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000161423509 367085289 /nfs/dbraw/zinc/08/52/89/367085289.db2.gz SHDYRPHMPDGGAB-UHFFFAOYSA-N 2 2 259.353 2.414 20 70 CEIDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000161423509 367085293 /nfs/dbraw/zinc/08/52/93/367085293.db2.gz SHDYRPHMPDGGAB-UHFFFAOYSA-N 2 2 259.353 2.414 20 70 CEIDLP CCS[C@@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000159816242 162315944 /nfs/dbraw/zinc/31/59/44/162315944.db2.gz FMEOCJOMWGUOAO-CYBMUJFWSA-N 2 2 253.415 2.491 20 70 CEIDLP CCS[C@@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000159816242 162315945 /nfs/dbraw/zinc/31/59/45/162315945.db2.gz FMEOCJOMWGUOAO-CYBMUJFWSA-N 2 2 253.415 2.491 20 70 CEIDLP C[N@H+](Cc1ccccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000159687753 366940467 /nfs/dbraw/zinc/94/04/67/366940467.db2.gz HRCYEMHUBKGPAZ-LBPRGKRZSA-N 2 2 270.323 2.457 20 70 CEIDLP C[N@@H+](Cc1ccccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000159687753 366940470 /nfs/dbraw/zinc/94/04/70/366940470.db2.gz HRCYEMHUBKGPAZ-LBPRGKRZSA-N 2 2 270.323 2.457 20 70 CEIDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000160266175 366987260 /nfs/dbraw/zinc/98/72/60/366987260.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 3 2 267.461 2.181 20 70 CEIDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000160266175 366987266 /nfs/dbraw/zinc/98/72/66/366987266.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 3 2 267.461 2.181 20 70 CEIDLP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000160266175 366987273 /nfs/dbraw/zinc/98/72/73/366987273.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 3 2 267.461 2.181 20 70 CEIDLP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000160266175 366987277 /nfs/dbraw/zinc/98/72/77/366987277.db2.gz UHGKJMCWHDICEW-HRCADAONSA-N 3 2 267.461 2.181 20 70 CEIDLP c1cn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c[nH+]1 ZINC000159806421 162317198 /nfs/dbraw/zinc/31/71/98/162317198.db2.gz QIEPOAIKAZXQNU-KRWDZBQOSA-N 3 2 290.455 2.471 20 70 CEIDLP c1cn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c[nH+]1 ZINC000159806421 162317199 /nfs/dbraw/zinc/31/71/99/162317199.db2.gz QIEPOAIKAZXQNU-KRWDZBQOSA-N 3 2 290.455 2.471 20 70 CEIDLP C[C@@H]1C[N@H+](C)CC[C@@H]1NCC[NH+](C)Cc1ccc(F)cc1 ZINC000160122608 162321296 /nfs/dbraw/zinc/32/12/96/162321296.db2.gz FYVMFMKJTABXFI-PBHICJAKSA-N 2 2 293.430 2.187 20 70 CEIDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+](C)Cc1ccc(F)cc1 ZINC000160122608 162321302 /nfs/dbraw/zinc/32/13/02/162321302.db2.gz FYVMFMKJTABXFI-PBHICJAKSA-N 2 2 293.430 2.187 20 70 CEIDLP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000160122608 162321304 /nfs/dbraw/zinc/32/13/04/162321304.db2.gz FYVMFMKJTABXFI-PBHICJAKSA-N 2 2 293.430 2.187 20 70 CEIDLP C[C@@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160122608 162321308 /nfs/dbraw/zinc/32/13/08/162321308.db2.gz FYVMFMKJTABXFI-PBHICJAKSA-N 2 2 293.430 2.187 20 70 CEIDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000161214374 276366416 /nfs/dbraw/zinc/36/64/16/276366416.db2.gz UGPLFMJEEZIIBO-ZFWWWQNUSA-N 2 2 254.418 2.266 20 70 CEIDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000161214374 276366419 /nfs/dbraw/zinc/36/64/19/276366419.db2.gz UGPLFMJEEZIIBO-ZFWWWQNUSA-N 2 2 254.418 2.266 20 70 CEIDLP Cc1[nH+]c2ccccn2c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000160405275 527178880 /nfs/dbraw/zinc/17/88/80/527178880.db2.gz JTJLRMHQXMEKMH-ZFWWWQNUSA-N 2 2 284.407 2.311 20 70 CEIDLP Cc1[nH+]c2ccccn2c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000160405275 527178883 /nfs/dbraw/zinc/17/88/83/527178883.db2.gz JTJLRMHQXMEKMH-ZFWWWQNUSA-N 2 2 284.407 2.311 20 70 CEIDLP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160100068 366973906 /nfs/dbraw/zinc/97/39/06/366973906.db2.gz XXYVIUOKRHRPTG-GFCCVEGCSA-N 2 2 277.403 2.036 20 70 CEIDLP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160100068 366973914 /nfs/dbraw/zinc/97/39/14/366973914.db2.gz XXYVIUOKRHRPTG-GFCCVEGCSA-N 2 2 277.403 2.036 20 70 CEIDLP CSC[C@@](C)(O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000217850555 370201951 /nfs/dbraw/zinc/20/19/51/370201951.db2.gz PSWRWCYGVXCSKP-HNNXBMFYSA-N 2 2 291.420 2.076 20 70 CEIDLP CC(=O)NC1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000161216794 519644638 /nfs/dbraw/zinc/64/46/38/519644638.db2.gz CFJSRYUECWMGCD-UHFFFAOYSA-N 2 2 295.471 2.288 20 70 CEIDLP c1cc(O[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000161419995 526436617 /nfs/dbraw/zinc/43/66/17/526436617.db2.gz OIWJCJDULRSKNJ-QGZVFWFLSA-N 3 2 289.423 2.411 20 70 CEIDLP c1cc(O[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc[nH+]1 ZINC000161419995 526436621 /nfs/dbraw/zinc/43/66/21/526436621.db2.gz OIWJCJDULRSKNJ-QGZVFWFLSA-N 3 2 289.423 2.411 20 70 CEIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000160855435 162327513 /nfs/dbraw/zinc/32/75/13/162327513.db2.gz SVGYKBVYTGIKEN-KGLIPLIRSA-N 2 2 298.789 2.432 20 70 CEIDLP Fc1cc(Cl)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000160855435 162327516 /nfs/dbraw/zinc/32/75/16/162327516.db2.gz SVGYKBVYTGIKEN-KGLIPLIRSA-N 2 2 298.789 2.432 20 70 CEIDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccnc1Cl ZINC000161453290 278253946 /nfs/dbraw/zinc/25/39/46/278253946.db2.gz GBMVQDZQDNJFOE-JTQLQIEISA-N 2 2 253.777 2.480 20 70 CEIDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160871583 521499590 /nfs/dbraw/zinc/49/95/90/521499590.db2.gz IPHCBRSEKZEOBM-OAHLLOKOSA-N 2 2 286.423 2.498 20 70 CEIDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccccn23)C1 ZINC000160871583 521499593 /nfs/dbraw/zinc/49/95/93/521499593.db2.gz IPHCBRSEKZEOBM-OAHLLOKOSA-N 2 2 286.423 2.498 20 70 CEIDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160871583 521499601 /nfs/dbraw/zinc/49/96/01/521499601.db2.gz IPHCBRSEKZEOBM-OAHLLOKOSA-N 2 2 286.423 2.498 20 70 CEIDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000160871583 521499606 /nfs/dbraw/zinc/49/96/06/521499606.db2.gz IPHCBRSEKZEOBM-OAHLLOKOSA-N 2 2 286.423 2.498 20 70 CEIDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592238 521713492 /nfs/dbraw/zinc/71/34/92/521713492.db2.gz UZFRDZJSPDBLPH-GDBMZVCRSA-N 2 2 286.423 2.496 20 70 CEIDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592238 521713493 /nfs/dbraw/zinc/71/34/93/521713493.db2.gz UZFRDZJSPDBLPH-GDBMZVCRSA-N 2 2 286.423 2.496 20 70 CEIDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592238 521713494 /nfs/dbraw/zinc/71/34/94/521713494.db2.gz UZFRDZJSPDBLPH-GDBMZVCRSA-N 2 2 286.423 2.496 20 70 CEIDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592238 521713495 /nfs/dbraw/zinc/71/34/95/521713495.db2.gz UZFRDZJSPDBLPH-GDBMZVCRSA-N 2 2 286.423 2.496 20 70 CEIDLP COC(=O)C1([N@H+](C)CCC[NH+]2CCCCC2)CCCC1 ZINC000161443235 522837833 /nfs/dbraw/zinc/83/78/33/522837833.db2.gz RHXLTEWNIRPKPX-UHFFFAOYSA-N 2 2 282.428 2.280 20 70 CEIDLP COC(=O)C1([N@@H+](C)CCC[NH+]2CCCCC2)CCCC1 ZINC000161443235 522837839 /nfs/dbraw/zinc/83/78/39/522837839.db2.gz RHXLTEWNIRPKPX-UHFFFAOYSA-N 2 2 282.428 2.280 20 70 CEIDLP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160187472 540113006 /nfs/dbraw/zinc/11/30/06/540113006.db2.gz WAPZYMOFEZDOSK-UONOGXRCSA-N 2 2 262.401 2.010 20 70 CEIDLP CCCn1nccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000160187472 540113010 /nfs/dbraw/zinc/11/30/10/540113010.db2.gz WAPZYMOFEZDOSK-UONOGXRCSA-N 2 2 262.401 2.010 20 70 CEIDLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cc[nH+]c1 ZINC000159845756 366953227 /nfs/dbraw/zinc/95/32/27/366953227.db2.gz HUHVHYDJDGROFP-KRWDZBQOSA-N 2 2 298.434 2.480 20 70 CEIDLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCn1cc[nH+]c1 ZINC000159845756 366953232 /nfs/dbraw/zinc/95/32/32/366953232.db2.gz HUHVHYDJDGROFP-KRWDZBQOSA-N 2 2 298.434 2.480 20 70 CEIDLP C[N@H+](Cc1ccccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000159687895 162312344 /nfs/dbraw/zinc/31/23/44/162312344.db2.gz HRCYEMHUBKGPAZ-GFCCVEGCSA-N 2 2 270.323 2.457 20 70 CEIDLP C[N@@H+](Cc1ccccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000159687895 162312352 /nfs/dbraw/zinc/31/23/52/162312352.db2.gz HRCYEMHUBKGPAZ-GFCCVEGCSA-N 2 2 270.323 2.457 20 70 CEIDLP C[C@H]1C[N@H+](C)CC[C@@H]1NCC[NH+](C)Cc1ccc(F)cc1 ZINC000160122741 162322198 /nfs/dbraw/zinc/32/21/98/162322198.db2.gz FYVMFMKJTABXFI-YOEHRIQHSA-N 2 2 293.430 2.187 20 70 CEIDLP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+](C)Cc1ccc(F)cc1 ZINC000160122741 162322203 /nfs/dbraw/zinc/32/22/03/162322203.db2.gz FYVMFMKJTABXFI-YOEHRIQHSA-N 2 2 293.430 2.187 20 70 CEIDLP C[C@H]1C[NH+](C)CC[C@@H]1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000160122741 162322206 /nfs/dbraw/zinc/32/22/06/162322206.db2.gz FYVMFMKJTABXFI-YOEHRIQHSA-N 2 2 293.430 2.187 20 70 CEIDLP C[C@H]1C[NH+](C)CC[C@@H]1NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160122741 162322208 /nfs/dbraw/zinc/32/22/08/162322208.db2.gz FYVMFMKJTABXFI-YOEHRIQHSA-N 2 2 293.430 2.187 20 70 CEIDLP C(C[NH+]1CCCCC1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000161416917 275391232 /nfs/dbraw/zinc/39/12/32/275391232.db2.gz JXIFPDXUFXQYAW-LSDHHAIUSA-N 2 2 284.469 2.069 20 70 CEIDLP C(C[NH+]1CCCCC1)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000161416917 275391233 /nfs/dbraw/zinc/39/12/33/275391233.db2.gz JXIFPDXUFXQYAW-LSDHHAIUSA-N 2 2 284.469 2.069 20 70 CEIDLP