smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000181283095 199275931 /nfs/dbraw/zinc/27/59/31/199275931.db2.gz LYNCYRSHKZQWTN-GJYPPUQNSA-N 2 2 320.477 3.091 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000181283095 199275932 /nfs/dbraw/zinc/27/59/32/199275932.db2.gz LYNCYRSHKZQWTN-GJYPPUQNSA-N 2 2 320.477 3.091 10 0 DGAELP Cc1ncccc1C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000328631384 231267473 /nfs/dbraw/zinc/26/74/73/231267473.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1ncccc1C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000328631384 231267475 /nfs/dbraw/zinc/26/74/75/231267475.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1ncccc1C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000328631384 231267479 /nfs/dbraw/zinc/26/74/79/231267479.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1ncccc1C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000328631384 231267481 /nfs/dbraw/zinc/26/74/81/231267481.db2.gz KMHYBRXZTCWUFB-FQEVSTJZSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1cccn2c(CN3CCCC[C@H]([NH+]4CCCC4)C3)c[nH+]c12 ZINC000092785732 185340955 /nfs/dbraw/zinc/34/09/55/185340955.db2.gz BRUOVXGLTVASOO-KRWDZBQOSA-N 2 2 312.461 3.093 10 0 DGAELP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279854657 215180459 /nfs/dbraw/zinc/18/04/59/215180459.db2.gz PHMUUPHCUKONJS-SFHVURJKSA-N 2 2 324.472 3.323 10 0 DGAELP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279854657 215180462 /nfs/dbraw/zinc/18/04/62/215180462.db2.gz PHMUUPHCUKONJS-SFHVURJKSA-N 2 2 324.472 3.323 10 0 DGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2cccc(Br)c2C1 ZINC000179442184 432058433 /nfs/dbraw/zinc/05/84/33/432058433.db2.gz OQLVWUOLKSDZGH-AWEZNQCLSA-N 2 2 323.278 3.292 10 0 DGAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2cccc(Br)c2C1 ZINC000179442184 432058435 /nfs/dbraw/zinc/05/84/35/432058435.db2.gz OQLVWUOLKSDZGH-AWEZNQCLSA-N 2 2 323.278 3.292 10 0 DGAELP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000179442184 432058437 /nfs/dbraw/zinc/05/84/37/432058437.db2.gz OQLVWUOLKSDZGH-AWEZNQCLSA-N 2 2 323.278 3.292 10 0 DGAELP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2cccc(Br)c2C1 ZINC000179442184 432058439 /nfs/dbraw/zinc/05/84/39/432058439.db2.gz OQLVWUOLKSDZGH-AWEZNQCLSA-N 2 2 323.278 3.292 10 0 DGAELP CCC[C@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179900224 432073541 /nfs/dbraw/zinc/07/35/41/432073541.db2.gz PLWVFQQPJVGOJS-KRWDZBQOSA-N 2 2 303.494 3.457 10 0 DGAELP CCC[C@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179900224 432073543 /nfs/dbraw/zinc/07/35/43/432073543.db2.gz PLWVFQQPJVGOJS-KRWDZBQOSA-N 2 2 303.494 3.457 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000179541803 199052524 /nfs/dbraw/zinc/05/25/24/199052524.db2.gz YTACPUQQGFWLMU-INIZCTEOSA-N 2 2 309.417 3.159 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000179541803 199052525 /nfs/dbraw/zinc/05/25/25/199052525.db2.gz YTACPUQQGFWLMU-INIZCTEOSA-N 2 2 309.417 3.159 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000180126404 199119974 /nfs/dbraw/zinc/11/99/74/199119974.db2.gz QSXKEVZPXJQRAX-SFHVURJKSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000180126404 199119975 /nfs/dbraw/zinc/11/99/75/199119975.db2.gz QSXKEVZPXJQRAX-SFHVURJKSA-N 2 2 321.428 3.246 10 0 DGAELP C[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1 ZINC000180588089 432091751 /nfs/dbraw/zinc/09/17/51/432091751.db2.gz KVTFKQIAEOCNAB-GOSISDBHSA-N 2 2 324.468 3.334 10 0 DGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3CCCCN3C3CC3)c2)c[nH+]1 ZINC000434788239 238244104 /nfs/dbraw/zinc/24/41/04/238244104.db2.gz SWQJMMGKCOSQIS-HNNXBMFYSA-N 2 2 316.474 3.040 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412831 201221062 /nfs/dbraw/zinc/22/10/62/201221062.db2.gz DEKLYUMNEPOZNT-QWHCGFSZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@H+]1C ZINC000194412831 201221065 /nfs/dbraw/zinc/22/10/65/201221065.db2.gz DEKLYUMNEPOZNT-QWHCGFSZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412831 201221066 /nfs/dbraw/zinc/22/10/66/201221066.db2.gz DEKLYUMNEPOZNT-QWHCGFSZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412831 201221068 /nfs/dbraw/zinc/22/10/68/201221068.db2.gz DEKLYUMNEPOZNT-QWHCGFSZSA-N 2 2 305.447 3.318 10 0 DGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470371 212353467 /nfs/dbraw/zinc/35/34/67/212353467.db2.gz HQFKMVYRBSYRHS-OTUKTJHOSA-N 2 2 315.392 3.082 10 0 DGAELP C[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)C[NH+]1CCOCC1 ZINC000449164507 240046951 /nfs/dbraw/zinc/04/69/51/240046951.db2.gz QFMFNDDLHHUOSS-SNVBAGLBSA-N 2 2 323.289 3.113 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOCC34CCCCC4)c2)c[nH+]1 ZINC000449622332 240323186 /nfs/dbraw/zinc/32/31/86/240323186.db2.gz DICSMRBBTHEYAK-UHFFFAOYSA-N 2 2 317.458 3.469 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOCC34CCCCC4)c2)c[nH+]1 ZINC000449622332 240323190 /nfs/dbraw/zinc/32/31/90/240323190.db2.gz DICSMRBBTHEYAK-UHFFFAOYSA-N 2 2 317.458 3.469 10 0 DGAELP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275353516 212288054 /nfs/dbraw/zinc/28/80/54/212288054.db2.gz AHFGTCDSGMPXOA-BVIKNXMNSA-N 2 2 303.450 3.222 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404823 193245635 /nfs/dbraw/zinc/24/56/35/193245635.db2.gz ZLBACMTYPAFJDM-FUHWJXTLSA-N 2 2 320.477 3.155 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404823 193245637 /nfs/dbraw/zinc/24/56/37/193245637.db2.gz ZLBACMTYPAFJDM-FUHWJXTLSA-N 2 2 320.477 3.155 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643855 193280613 /nfs/dbraw/zinc/28/06/13/193280613.db2.gz AOYSGDVZVXSVNX-DNVCBOLYSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643855 193280616 /nfs/dbraw/zinc/28/06/16/193280616.db2.gz AOYSGDVZVXSVNX-DNVCBOLYSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643855 193280617 /nfs/dbraw/zinc/28/06/17/193280617.db2.gz AOYSGDVZVXSVNX-DNVCBOLYSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643855 193280619 /nfs/dbraw/zinc/28/06/19/193280619.db2.gz AOYSGDVZVXSVNX-DNVCBOLYSA-N 2 2 312.461 3.095 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645014 193280846 /nfs/dbraw/zinc/28/08/46/193280846.db2.gz KVFGPPBWRWHDSS-JKSUJKDBSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@H+]1C ZINC000093645014 193280848 /nfs/dbraw/zinc/28/08/48/193280848.db2.gz KVFGPPBWRWHDSS-JKSUJKDBSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645014 193280850 /nfs/dbraw/zinc/28/08/50/193280850.db2.gz KVFGPPBWRWHDSS-JKSUJKDBSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645014 193280852 /nfs/dbraw/zinc/28/08/52/193280852.db2.gz KVFGPPBWRWHDSS-JKSUJKDBSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644194 193280956 /nfs/dbraw/zinc/28/09/56/193280956.db2.gz PHNXIXBSFWRBCR-YOEHRIQHSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@H+]1C ZINC000093644194 193280958 /nfs/dbraw/zinc/28/09/58/193280958.db2.gz PHNXIXBSFWRBCR-YOEHRIQHSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644194 193280960 /nfs/dbraw/zinc/28/09/60/193280960.db2.gz PHNXIXBSFWRBCR-YOEHRIQHSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644194 193280962 /nfs/dbraw/zinc/28/09/62/193280962.db2.gz PHNXIXBSFWRBCR-YOEHRIQHSA-N 2 2 302.462 3.315 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093643690 193281588 /nfs/dbraw/zinc/28/15/88/193281588.db2.gz MZTHOLOMDSJABE-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093643690 193281590 /nfs/dbraw/zinc/28/15/90/193281590.db2.gz MZTHOLOMDSJABE-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643690 193281591 /nfs/dbraw/zinc/28/15/91/193281591.db2.gz MZTHOLOMDSJABE-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643690 193281593 /nfs/dbraw/zinc/28/15/93/193281593.db2.gz MZTHOLOMDSJABE-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644629 193282195 /nfs/dbraw/zinc/28/21/95/193282195.db2.gz XZYIBYODTFOANF-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644629 193282197 /nfs/dbraw/zinc/28/21/97/193282197.db2.gz XZYIBYODTFOANF-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644629 193282198 /nfs/dbraw/zinc/28/21/98/193282198.db2.gz XZYIBYODTFOANF-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644629 193282200 /nfs/dbraw/zinc/28/22/00/193282200.db2.gz XZYIBYODTFOANF-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123596637 284241625 /nfs/dbraw/zinc/24/16/25/284241625.db2.gz FXHLTIPHBHMRHV-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123596637 284241628 /nfs/dbraw/zinc/24/16/28/284241628.db2.gz FXHLTIPHBHMRHV-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123596637 284241633 /nfs/dbraw/zinc/24/16/33/284241633.db2.gz FXHLTIPHBHMRHV-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123596637 284241636 /nfs/dbraw/zinc/24/16/36/284241636.db2.gz FXHLTIPHBHMRHV-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000019946513 182168587 /nfs/dbraw/zinc/16/85/87/182168587.db2.gz AAEQZVYXIKAPBJ-XHDPSFHLSA-N 2 2 309.251 3.194 10 0 DGAELP C[C@@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000019946516 182168983 /nfs/dbraw/zinc/16/89/83/182168983.db2.gz AAEQZVYXIKAPBJ-ABAIWWIYSA-N 2 2 309.251 3.194 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916524 182936561 /nfs/dbraw/zinc/93/65/61/182936561.db2.gz NXSHHFUTMAZNLR-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916524 182936567 /nfs/dbraw/zinc/93/65/67/182936567.db2.gz NXSHHFUTMAZNLR-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cs1 ZINC000043687682 183381479 /nfs/dbraw/zinc/38/14/79/183381479.db2.gz CERFMAVPNZKVQP-NXEZZACHSA-N 2 2 303.269 3.070 10 0 DGAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)cs1 ZINC000043687682 183381480 /nfs/dbraw/zinc/38/14/80/183381480.db2.gz CERFMAVPNZKVQP-NXEZZACHSA-N 2 2 303.269 3.070 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000105876096 194153265 /nfs/dbraw/zinc/15/32/65/194153265.db2.gz RJVPSIRSWDHJGH-UHFFFAOYSA-N 2 2 305.372 3.153 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000105896694 194162259 /nfs/dbraw/zinc/16/22/59/194162259.db2.gz XQXMZOZTKJEVAZ-CQSZACIVSA-N 2 2 310.401 3.424 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000105896694 194162260 /nfs/dbraw/zinc/16/22/60/194162260.db2.gz XQXMZOZTKJEVAZ-CQSZACIVSA-N 2 2 310.401 3.424 10 0 DGAELP Nc1cccc2c1C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000058010797 184066664 /nfs/dbraw/zinc/06/66/64/184066664.db2.gz DZUDLLXVULKBMY-UHFFFAOYSA-N 2 2 307.441 3.249 10 0 DGAELP Nc1cccc2c1C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000058010797 184066665 /nfs/dbraw/zinc/06/66/65/184066665.db2.gz DZUDLLXVULKBMY-UHFFFAOYSA-N 2 2 307.441 3.249 10 0 DGAELP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000119698254 195019742 /nfs/dbraw/zinc/01/97/42/195019742.db2.gz KHYAUSIJHWSIII-RBUKOAKNSA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000119698254 195019744 /nfs/dbraw/zinc/01/97/44/195019744.db2.gz KHYAUSIJHWSIII-RBUKOAKNSA-N 2 2 302.462 3.056 10 0 DGAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248998366 285044551 /nfs/dbraw/zinc/04/45/51/285044551.db2.gz MNSXJYKANXTNES-ZBFHGGJFSA-N 2 2 308.441 3.087 10 0 DGAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248998366 285044554 /nfs/dbraw/zinc/04/45/54/285044554.db2.gz MNSXJYKANXTNES-ZBFHGGJFSA-N 2 2 308.441 3.087 10 0 DGAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCCS2 ZINC000249196375 285062781 /nfs/dbraw/zinc/06/27/81/285062781.db2.gz QZWCTSNCLBILQS-BBRMVZONSA-N 2 2 306.475 3.306 10 0 DGAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCCS2 ZINC000249196375 285062785 /nfs/dbraw/zinc/06/27/85/285062785.db2.gz QZWCTSNCLBILQS-BBRMVZONSA-N 2 2 306.475 3.306 10 0 DGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000255771050 285179276 /nfs/dbraw/zinc/17/92/76/285179276.db2.gz LHQLRGGKNVLCDL-PXAMLJHWSA-N 2 2 302.462 3.372 10 0 DGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2OC)C1 ZINC000255771050 285179282 /nfs/dbraw/zinc/17/92/82/285179282.db2.gz LHQLRGGKNVLCDL-PXAMLJHWSA-N 2 2 302.462 3.372 10 0 DGAELP CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000328618265 257264307 /nfs/dbraw/zinc/26/43/07/257264307.db2.gz DMZJUUGFSWUTIN-QAPCUYQASA-N 2 2 317.477 3.091 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2ccncc21 ZINC000616680159 400201631 /nfs/dbraw/zinc/20/16/31/400201631.db2.gz MCKJKWFASQCDKY-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc2ccncc21 ZINC000616680159 400201636 /nfs/dbraw/zinc/20/16/36/400201636.db2.gz MCKJKWFASQCDKY-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP Brc1sccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000388821723 400267665 /nfs/dbraw/zinc/26/76/65/400267665.db2.gz JYJWVQJBVFHCPK-UHFFFAOYSA-N 2 2 314.252 3.277 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000398186713 400287160 /nfs/dbraw/zinc/28/71/60/400287160.db2.gz LOGNAPIWNFJWHV-FQEVSTJZSA-N 2 2 322.456 3.199 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000398186713 400287167 /nfs/dbraw/zinc/28/71/67/400287167.db2.gz LOGNAPIWNFJWHV-FQEVSTJZSA-N 2 2 322.456 3.199 10 0 DGAELP COc1cc[nH+]cc1-c1ccnc2[nH]c(C3CC[NH+](C)CC3)cc21 ZINC000220406148 400953279 /nfs/dbraw/zinc/95/32/79/400953279.db2.gz MXXIRDLEGYLLKG-UHFFFAOYSA-N 2 2 322.412 3.443 10 0 DGAELP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000631206422 401425996 /nfs/dbraw/zinc/42/59/96/401425996.db2.gz UNPQUEFYDIMGRK-HXUWFJFHSA-N 2 2 314.473 3.368 10 0 DGAELP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000631206422 401425997 /nfs/dbraw/zinc/42/59/97/401425997.db2.gz UNPQUEFYDIMGRK-HXUWFJFHSA-N 2 2 314.473 3.368 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)c2)c[nH+]1 ZINC000631254144 401438486 /nfs/dbraw/zinc/43/84/86/401438486.db2.gz JVWBVRDRUWJXMD-DLBZAZTESA-N 2 2 317.458 3.371 10 0 DGAELP c1ccc(C[N@@H+]2CCCCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000631681026 401533389 /nfs/dbraw/zinc/53/33/89/401533389.db2.gz UIOMKTKDLLUPBE-LJQANCHMSA-N 2 2 302.462 3.200 10 0 DGAELP c1ccc(C[N@H+]2CCCCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000631681026 401533395 /nfs/dbraw/zinc/53/33/95/401533395.db2.gz UIOMKTKDLLUPBE-LJQANCHMSA-N 2 2 302.462 3.200 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000628225760 401553920 /nfs/dbraw/zinc/55/39/20/401553920.db2.gz MNWRWEYJYBVQSA-KSSFIOAISA-N 2 2 313.445 3.434 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000628225760 401553922 /nfs/dbraw/zinc/55/39/22/401553922.db2.gz MNWRWEYJYBVQSA-KSSFIOAISA-N 2 2 313.445 3.434 10 0 DGAELP COC1(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CCCCC1 ZINC000359956966 286396921 /nfs/dbraw/zinc/39/69/21/286396921.db2.gz GFRMJMWIXOLJAK-UHFFFAOYSA-N 2 2 313.445 3.370 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000364437470 287026222 /nfs/dbraw/zinc/02/62/22/287026222.db2.gz ARCHHHQLDIAZFH-BHIYHBOVSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000364437470 287026227 /nfs/dbraw/zinc/02/62/27/287026227.db2.gz ARCHHHQLDIAZFH-BHIYHBOVSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000192122610 165283219 /nfs/dbraw/zinc/28/32/19/165283219.db2.gz NXAOUHIGCSFNEO-UHFFFAOYSA-N 2 2 313.445 3.308 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)C1CCCCC1 ZINC000192122610 165283221 /nfs/dbraw/zinc/28/32/21/165283221.db2.gz NXAOUHIGCSFNEO-UHFFFAOYSA-N 2 2 313.445 3.308 10 0 DGAELP CCCCc1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733859 165354410 /nfs/dbraw/zinc/35/44/10/165354410.db2.gz RDNPTRNDMLTSIH-OAHLLOKOSA-N 2 2 320.481 3.281 10 0 DGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC34CCC4)c2cc1C ZINC000365635680 287156482 /nfs/dbraw/zinc/15/64/82/287156482.db2.gz HZBVWGNZALMRQD-MRXNPFEDSA-N 2 2 313.445 3.033 10 0 DGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC34CCC4)c2cc1C ZINC000365635680 287156483 /nfs/dbraw/zinc/15/64/83/287156483.db2.gz HZBVWGNZALMRQD-MRXNPFEDSA-N 2 2 313.445 3.033 10 0 DGAELP Fc1ccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646898 432156407 /nfs/dbraw/zinc/15/64/07/432156407.db2.gz IAPSVXLLDVTMKF-OAHLLOKOSA-N 2 2 315.392 3.034 10 0 DGAELP Fc1ccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646898 432156411 /nfs/dbraw/zinc/15/64/11/432156411.db2.gz IAPSVXLLDVTMKF-OAHLLOKOSA-N 2 2 315.392 3.034 10 0 DGAELP Cc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190488109 432162451 /nfs/dbraw/zinc/16/24/51/432162451.db2.gz NKPVMAMUDMOALE-IBGZPJMESA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190488109 432162452 /nfs/dbraw/zinc/16/24/52/432162452.db2.gz NKPVMAMUDMOALE-IBGZPJMESA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190488109 432162454 /nfs/dbraw/zinc/16/24/54/432162454.db2.gz NKPVMAMUDMOALE-IBGZPJMESA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190488109 432162457 /nfs/dbraw/zinc/16/24/57/432162457.db2.gz NKPVMAMUDMOALE-IBGZPJMESA-N 2 2 309.457 3.344 10 0 DGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246900624 432178081 /nfs/dbraw/zinc/17/80/81/432178081.db2.gz RKQCVWQPMVJYBY-MAUKXSAKSA-N 2 2 318.436 3.283 10 0 DGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246900624 432178082 /nfs/dbraw/zinc/17/80/82/432178082.db2.gz RKQCVWQPMVJYBY-MAUKXSAKSA-N 2 2 318.436 3.283 10 0 DGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246900624 432178088 /nfs/dbraw/zinc/17/80/88/432178088.db2.gz RKQCVWQPMVJYBY-MAUKXSAKSA-N 2 2 318.436 3.283 10 0 DGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246900624 432178092 /nfs/dbraw/zinc/17/80/92/432178092.db2.gz RKQCVWQPMVJYBY-MAUKXSAKSA-N 2 2 318.436 3.283 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016316 432191262 /nfs/dbraw/zinc/19/12/62/432191262.db2.gz LXOOWLKYAGFTIV-ZFWWWQNUSA-N 2 2 303.406 3.097 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016316 432191263 /nfs/dbraw/zinc/19/12/63/432191263.db2.gz LXOOWLKYAGFTIV-ZFWWWQNUSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016316 432191266 /nfs/dbraw/zinc/19/12/66/432191266.db2.gz LXOOWLKYAGFTIV-ZFWWWQNUSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016316 432191268 /nfs/dbraw/zinc/19/12/68/432191268.db2.gz LXOOWLKYAGFTIV-ZFWWWQNUSA-N 2 2 303.406 3.097 10 0 DGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261821992 263871316 /nfs/dbraw/zinc/87/13/16/263871316.db2.gz ARSMFEKALDIILY-IIDMSEBBSA-N 2 2 304.478 3.402 10 0 DGAELP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247694345 432246442 /nfs/dbraw/zinc/24/64/42/432246442.db2.gz SZUJYTMRWVIVMF-GOEBONIOSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247694345 432246445 /nfs/dbraw/zinc/24/64/45/432246445.db2.gz SZUJYTMRWVIVMF-GOEBONIOSA-N 2 2 323.400 3.016 10 0 DGAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460463 276073516 /nfs/dbraw/zinc/07/35/16/276073516.db2.gz VUGXKIYRTGKJGD-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460463 276073517 /nfs/dbraw/zinc/07/35/17/276073517.db2.gz VUGXKIYRTGKJGD-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460463 276073518 /nfs/dbraw/zinc/07/35/18/276073518.db2.gz VUGXKIYRTGKJGD-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460463 276073520 /nfs/dbraw/zinc/07/35/20/276073520.db2.gz VUGXKIYRTGKJGD-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000182059745 277083315 /nfs/dbraw/zinc/08/33/15/277083315.db2.gz IQJYXQYKZRDQFB-KSSFIOAISA-N 2 2 305.466 3.272 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173828 431242724 /nfs/dbraw/zinc/24/27/24/431242724.db2.gz FSDCFIDRCLEIOX-NEPJUHHUSA-N 2 2 317.260 3.431 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173828 431242731 /nfs/dbraw/zinc/24/27/31/431242731.db2.gz FSDCFIDRCLEIOX-NEPJUHHUSA-N 2 2 317.260 3.431 10 0 DGAELP C[N@H+](CC1CCCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121192335 431750912 /nfs/dbraw/zinc/75/09/12/431750912.db2.gz MKUVJEGYJRMYJO-UHFFFAOYSA-N 2 2 318.509 3.250 10 0 DGAELP C[N@@H+](CC1CCCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121192335 431750916 /nfs/dbraw/zinc/75/09/16/431750916.db2.gz MKUVJEGYJRMYJO-UHFFFAOYSA-N 2 2 318.509 3.250 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123318618 431861449 /nfs/dbraw/zinc/86/14/49/431861449.db2.gz BYELZIVVEDMYKO-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123318618 431861453 /nfs/dbraw/zinc/86/14/53/431861453.db2.gz BYELZIVVEDMYKO-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123318618 431861456 /nfs/dbraw/zinc/86/14/56/431861456.db2.gz BYELZIVVEDMYKO-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123318618 431861460 /nfs/dbraw/zinc/86/14/60/431861460.db2.gz BYELZIVVEDMYKO-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1SC ZINC000123407748 431864177 /nfs/dbraw/zinc/86/41/77/431864177.db2.gz QGNMXGKKNVINDN-DZGCQCFKSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1SC ZINC000123407748 431864179 /nfs/dbraw/zinc/86/41/79/431864179.db2.gz QGNMXGKKNVINDN-DZGCQCFKSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1SC ZINC000123407748 431864181 /nfs/dbraw/zinc/86/41/81/431864181.db2.gz QGNMXGKKNVINDN-DZGCQCFKSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1SC ZINC000123407748 431864183 /nfs/dbraw/zinc/86/41/83/431864183.db2.gz QGNMXGKKNVINDN-DZGCQCFKSA-N 2 2 308.491 3.332 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091318845 431903809 /nfs/dbraw/zinc/90/38/09/431903809.db2.gz KURRMWVSXWVQPC-PKOBYXMFSA-N 2 2 320.477 3.093 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091318845 431903811 /nfs/dbraw/zinc/90/38/11/431903811.db2.gz KURRMWVSXWVQPC-PKOBYXMFSA-N 2 2 320.477 3.093 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000097153310 431963420 /nfs/dbraw/zinc/96/34/20/431963420.db2.gz OTCCHXQAJPSFTK-UHFFFAOYSA-N 2 2 303.837 3.414 10 0 DGAELP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cscn3)CC2)cc1 ZINC000127334641 431970174 /nfs/dbraw/zinc/97/01/74/431970174.db2.gz PIVPKVBISWSLGZ-UHFFFAOYSA-N 2 2 319.449 3.079 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000152009289 432296690 /nfs/dbraw/zinc/29/66/90/432296690.db2.gz WMDQZHDSIBVINN-CQSZACIVSA-N 2 2 314.364 3.136 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000152009289 432296694 /nfs/dbraw/zinc/29/66/94/432296694.db2.gz WMDQZHDSIBVINN-CQSZACIVSA-N 2 2 314.364 3.136 10 0 DGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000248052408 432264071 /nfs/dbraw/zinc/26/40/71/432264071.db2.gz NZPNIQMEYDJUOH-QZTJIDSGSA-N 2 2 302.462 3.323 10 0 DGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000248052408 432264073 /nfs/dbraw/zinc/26/40/73/432264073.db2.gz NZPNIQMEYDJUOH-QZTJIDSGSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000248052408 432264078 /nfs/dbraw/zinc/26/40/78/432264078.db2.gz NZPNIQMEYDJUOH-QZTJIDSGSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000248052408 432264079 /nfs/dbraw/zinc/26/40/79/432264079.db2.gz NZPNIQMEYDJUOH-QZTJIDSGSA-N 2 2 302.462 3.323 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)[nH]1 ZINC000271193414 432351210 /nfs/dbraw/zinc/35/12/10/432351210.db2.gz NRFATNUSRQSZKW-UHFFFAOYSA-N 2 2 307.401 3.179 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)[nH]1 ZINC000271193414 432351213 /nfs/dbraw/zinc/35/12/13/432351213.db2.gz NRFATNUSRQSZKW-UHFFFAOYSA-N 2 2 307.401 3.179 10 0 DGAELP COc1ccccc1CCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248631510 432308287 /nfs/dbraw/zinc/30/82/87/432308287.db2.gz ZZOPDWBZEMUTGW-SJLPKXTDSA-N 2 2 313.445 3.407 10 0 DGAELP COc1ccccc1CCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248631510 432308292 /nfs/dbraw/zinc/30/82/92/432308292.db2.gz ZZOPDWBZEMUTGW-SJLPKXTDSA-N 2 2 313.445 3.407 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000184360054 432382747 /nfs/dbraw/zinc/38/27/47/432382747.db2.gz RHYZNMRZJJXFCL-ABSDTBQOSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000184360054 432382750 /nfs/dbraw/zinc/38/27/50/432382750.db2.gz RHYZNMRZJJXFCL-ABSDTBQOSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)[nH+]1 ZINC000175421066 432433513 /nfs/dbraw/zinc/43/35/13/432433513.db2.gz OBLSSFUPTLHLMH-GFCCVEGCSA-N 2 2 322.865 3.434 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)[nH+]1 ZINC000175421066 432433519 /nfs/dbraw/zinc/43/35/19/432433519.db2.gz OBLSSFUPTLHLMH-GFCCVEGCSA-N 2 2 322.865 3.434 10 0 DGAELP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000184660977 432418030 /nfs/dbraw/zinc/41/80/30/432418030.db2.gz FFKBWELKAHOPBX-LBPRGKRZSA-N 2 2 314.832 3.241 10 0 DGAELP c1csc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000262072972 432472632 /nfs/dbraw/zinc/47/26/32/432472632.db2.gz CRVSOGOTWQDERG-CQSZACIVSA-N 2 2 319.499 3.349 10 0 DGAELP c1csc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000262072972 432472636 /nfs/dbraw/zinc/47/26/36/432472636.db2.gz CRVSOGOTWQDERG-CQSZACIVSA-N 2 2 319.499 3.349 10 0 DGAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000175991305 432484132 /nfs/dbraw/zinc/48/41/32/432484132.db2.gz LBCXYPZLBWJWNQ-CQSZACIVSA-N 2 2 309.417 3.008 10 0 DGAELP Cc1cc(Br)cc2c1C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262029450 432469755 /nfs/dbraw/zinc/46/97/55/432469755.db2.gz NXTSOGYFIWXNTD-INIZCTEOSA-N 2 2 323.278 3.115 10 0 DGAELP Cc1cc(Br)cc2c1C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262029450 432469758 /nfs/dbraw/zinc/46/97/58/432469758.db2.gz NXTSOGYFIWXNTD-INIZCTEOSA-N 2 2 323.278 3.115 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178146358 432699092 /nfs/dbraw/zinc/69/90/92/432699092.db2.gz FUHAGRIQGJPGDP-MJGOQNOKSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178146358 432699097 /nfs/dbraw/zinc/69/90/97/432699097.db2.gz FUHAGRIQGJPGDP-MJGOQNOKSA-N 2 2 304.478 3.446 10 0 DGAELP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178284754 432715252 /nfs/dbraw/zinc/71/52/52/432715252.db2.gz SJPZJHMNGXJOMX-DZGCQCFKSA-N 2 2 317.437 3.143 10 0 DGAELP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178284754 432715255 /nfs/dbraw/zinc/71/52/55/432715255.db2.gz SJPZJHMNGXJOMX-DZGCQCFKSA-N 2 2 317.437 3.143 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000178302844 432718037 /nfs/dbraw/zinc/71/80/37/432718037.db2.gz YHMBHGQZQJYXQI-IRXDYDNUSA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000178302844 432718041 /nfs/dbraw/zinc/71/80/41/432718041.db2.gz YHMBHGQZQJYXQI-IRXDYDNUSA-N 2 2 319.836 3.043 10 0 DGAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275681012 432740865 /nfs/dbraw/zinc/74/08/65/432740865.db2.gz WGNCESWMGYPPKA-RQNZRIQJSA-N 2 2 311.429 3.333 10 0 DGAELP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000245597787 432849702 /nfs/dbraw/zinc/84/97/02/432849702.db2.gz LVQBNVFFONXJJH-XOKHGSTOSA-N 2 2 319.836 3.153 10 0 DGAELP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000245597787 432849703 /nfs/dbraw/zinc/84/97/03/432849703.db2.gz LVQBNVFFONXJJH-XOKHGSTOSA-N 2 2 319.836 3.153 10 0 DGAELP COCC1(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)CCC1 ZINC000361328092 433112966 /nfs/dbraw/zinc/11/29/66/433112966.db2.gz GYPNUXUIKVFBDZ-UHFFFAOYSA-N 2 2 304.478 3.303 10 0 DGAELP COCC1(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000361328092 433112970 /nfs/dbraw/zinc/11/29/70/433112970.db2.gz GYPNUXUIKVFBDZ-UHFFFAOYSA-N 2 2 304.478 3.303 10 0 DGAELP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000336704831 433181308 /nfs/dbraw/zinc/18/13/08/433181308.db2.gz HKYJFJQSRCPKMU-QZTJIDSGSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000336704831 433181317 /nfs/dbraw/zinc/18/13/17/433181317.db2.gz HKYJFJQSRCPKMU-QZTJIDSGSA-N 2 2 302.462 3.198 10 0 DGAELP c1csc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281927107 433430167 /nfs/dbraw/zinc/43/01/67/433430167.db2.gz CZILBSXVDULUFD-ZDUSSCGKSA-N 2 2 302.447 3.056 10 0 DGAELP c1csc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281927107 433430171 /nfs/dbraw/zinc/43/01/71/433430171.db2.gz CZILBSXVDULUFD-ZDUSSCGKSA-N 2 2 302.447 3.056 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000361888048 433439589 /nfs/dbraw/zinc/43/95/89/433439589.db2.gz IYQYQBUWKGJUQY-KZNAEPCWSA-N 2 2 317.477 3.459 10 0 DGAELP FC(F)(F)COCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371573390 293212875 /nfs/dbraw/zinc/21/28/75/293212875.db2.gz UBFMNAQKUHHJLD-OAHLLOKOSA-N 2 2 322.415 3.153 10 0 DGAELP FC(F)(F)COCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371573390 293212876 /nfs/dbraw/zinc/21/28/76/293212876.db2.gz UBFMNAQKUHHJLD-OAHLLOKOSA-N 2 2 322.415 3.153 10 0 DGAELP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c2c([nH+]1)CCCC2 ZINC000302104722 433814258 /nfs/dbraw/zinc/81/42/58/433814258.db2.gz RLEHGOUYJHJKJC-CVEARBPZSA-N 2 2 314.477 3.115 10 0 DGAELP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c2c([nH+]1)CCCC2 ZINC000302104722 433814267 /nfs/dbraw/zinc/81/42/67/433814267.db2.gz RLEHGOUYJHJKJC-CVEARBPZSA-N 2 2 314.477 3.115 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000377415016 433873666 /nfs/dbraw/zinc/87/36/66/433873666.db2.gz WYSWNCATUAWSNR-CXAGYDPISA-N 2 2 309.413 3.303 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415016 433873673 /nfs/dbraw/zinc/87/36/73/433873673.db2.gz WYSWNCATUAWSNR-CXAGYDPISA-N 2 2 309.413 3.303 10 0 DGAELP Cc1cc(C)c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC000456862682 433870903 /nfs/dbraw/zinc/87/09/03/433870903.db2.gz QGHSQWBGCYPYLW-UHFFFAOYSA-N 2 2 323.440 3.224 10 0 DGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436260949 433921262 /nfs/dbraw/zinc/92/12/62/433921262.db2.gz AMXJCQJVHWLZRI-SLFFLAALSA-N 2 2 316.489 3.269 10 0 DGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436260949 433921269 /nfs/dbraw/zinc/92/12/69/433921269.db2.gz AMXJCQJVHWLZRI-SLFFLAALSA-N 2 2 316.489 3.269 10 0 DGAELP C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400748897 293865796 /nfs/dbraw/zinc/86/57/96/293865796.db2.gz UZVVWCHAMTVYTI-LPHOPBHVSA-N 2 2 310.441 3.496 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340355093 434082477 /nfs/dbraw/zinc/08/24/77/434082477.db2.gz FHTXFPIMYOJJNV-APWZRJJASA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340355093 434082489 /nfs/dbraw/zinc/08/24/89/434082489.db2.gz FHTXFPIMYOJJNV-APWZRJJASA-N 2 2 304.478 3.444 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+]C1CC[NH+](C3CC3)CC1)n2C1CC1 ZINC000459483920 293979571 /nfs/dbraw/zinc/97/95/71/293979571.db2.gz SPNQUTGICRGVRL-UHFFFAOYSA-N 2 2 310.445 3.088 10 0 DGAELP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000313262537 434125081 /nfs/dbraw/zinc/12/50/81/434125081.db2.gz KQCHYWMNRFXIRO-OAHLLOKOSA-N 2 2 322.250 3.466 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000379652157 434260277 /nfs/dbraw/zinc/26/02/77/434260277.db2.gz WABJVZUNCITJFD-ZCNNSNEGSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000379652157 434260284 /nfs/dbraw/zinc/26/02/84/434260284.db2.gz WABJVZUNCITJFD-ZCNNSNEGSA-N 2 2 316.489 3.446 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379645601 434260977 /nfs/dbraw/zinc/26/09/77/434260977.db2.gz IDDVFPUFRVUVFB-HKUYNNGSSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379645601 434260985 /nfs/dbraw/zinc/26/09/85/434260985.db2.gz IDDVFPUFRVUVFB-HKUYNNGSSA-N 3 2 303.494 3.148 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000295137490 434223355 /nfs/dbraw/zinc/22/33/55/434223355.db2.gz ZIDYCHNNZCRTGH-IEBWSBKVSA-N 2 2 309.457 3.185 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295137490 434223364 /nfs/dbraw/zinc/22/33/64/434223364.db2.gz ZIDYCHNNZCRTGH-IEBWSBKVSA-N 2 2 309.457 3.185 10 0 DGAELP c1csc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752939 434314836 /nfs/dbraw/zinc/31/48/36/434314836.db2.gz CLJINYZNRNGBNE-UKRRQHHQSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752939 434314841 /nfs/dbraw/zinc/31/48/41/434314841.db2.gz CLJINYZNRNGBNE-UKRRQHHQSA-N 2 2 317.458 3.367 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CCC[NH2+]C1)CCCC2 ZINC000423192894 434276897 /nfs/dbraw/zinc/27/68/97/434276897.db2.gz QCJCKZDDZJAQND-WMZOPIPTSA-N 2 2 300.446 3.121 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225510 434344245 /nfs/dbraw/zinc/34/42/45/434344245.db2.gz GXGFXVUISBCZRR-PWSUYJOCSA-N 2 2 315.230 3.333 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225510 434344256 /nfs/dbraw/zinc/34/42/56/434344256.db2.gz GXGFXVUISBCZRR-PWSUYJOCSA-N 2 2 315.230 3.333 10 0 DGAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868533 434350901 /nfs/dbraw/zinc/35/09/01/434350901.db2.gz NKWJXMDXFGGNRA-WMQCIHAUSA-N 2 2 324.468 3.484 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923058 434446645 /nfs/dbraw/zinc/44/66/45/434446645.db2.gz PJKVFQWIEYVVBM-VAMGGRTRSA-N 3 2 315.505 3.148 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923058 434446657 /nfs/dbraw/zinc/44/66/57/434446657.db2.gz PJKVFQWIEYVVBM-VAMGGRTRSA-N 3 2 315.505 3.148 10 0 DGAELP Cc1nccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446875 434421027 /nfs/dbraw/zinc/42/10/27/434421027.db2.gz BKHROXIFMOVMTD-UZLBHIALSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446875 434421033 /nfs/dbraw/zinc/42/10/33/434421033.db2.gz BKHROXIFMOVMTD-UZLBHIALSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446875 434421043 /nfs/dbraw/zinc/42/10/43/434421043.db2.gz BKHROXIFMOVMTD-UZLBHIALSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446875 434421050 /nfs/dbraw/zinc/42/10/50/434421050.db2.gz BKHROXIFMOVMTD-UZLBHIALSA-N 2 2 324.472 3.270 10 0 DGAELP C[C@]1(C[NH2+]C[C@H]2CCCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016094 434452970 /nfs/dbraw/zinc/45/29/70/434452970.db2.gz QINFTNYRDVVOKH-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@]1(C[NH2+]C[C@H]2CCCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016094 434452976 /nfs/dbraw/zinc/45/29/76/434452976.db2.gz QINFTNYRDVVOKH-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000398151894 434457871 /nfs/dbraw/zinc/45/78/71/434457871.db2.gz YWAUKVIOGWUGDC-CTWPCTMYSA-N 3 2 303.494 3.003 10 0 DGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000398151894 434457886 /nfs/dbraw/zinc/45/78/86/434457886.db2.gz YWAUKVIOGWUGDC-CTWPCTMYSA-N 3 2 303.494 3.003 10 0 DGAELP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527949011 295155792 /nfs/dbraw/zinc/15/57/92/295155792.db2.gz NQHPXQICSOPMDF-CUYAVPTFSA-N 2 2 306.494 3.475 10 0 DGAELP C([NH2+]C1CCC2(CCCO2)CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527949011 295155793 /nfs/dbraw/zinc/15/57/93/295155793.db2.gz NQHPXQICSOPMDF-CUYAVPTFSA-N 2 2 306.494 3.475 10 0 DGAELP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527952660 295155932 /nfs/dbraw/zinc/15/59/32/295155932.db2.gz VAJHZYUJAJNQIG-IEBWSBKVSA-N 2 2 313.489 3.326 10 0 DGAELP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527952660 295155934 /nfs/dbraw/zinc/15/59/34/295155934.db2.gz VAJHZYUJAJNQIG-IEBWSBKVSA-N 2 2 313.489 3.326 10 0 DGAELP c1c(CC[NH2+]C2CC(OCc3ccccc3)C2)[nH+]c2ccccn12 ZINC000492048663 434905904 /nfs/dbraw/zinc/90/59/04/434905904.db2.gz QJBZXGYKZOPIFT-UHFFFAOYSA-N 2 2 321.424 3.214 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000514834551 435441640 /nfs/dbraw/zinc/44/16/40/435441640.db2.gz PBWNPRAHJVSSED-FXAWDEMLSA-N 2 2 316.489 3.303 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000514834551 435441645 /nfs/dbraw/zinc/44/16/45/435441645.db2.gz PBWNPRAHJVSSED-FXAWDEMLSA-N 2 2 316.489 3.303 10 0 DGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216916 313341709 /nfs/dbraw/zinc/34/17/09/313341709.db2.gz DIGJOYDVGKGRKK-GJZGRUSLSA-N 2 2 321.262 3.311 10 0 DGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)[nH+]1 ZINC000180035453 323220217 /nfs/dbraw/zinc/22/02/17/323220217.db2.gz PVMFHSQOBLZALQ-INIZCTEOSA-N 2 2 321.380 3.400 10 0 DGAELP c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)[nH+]1 ZINC000180035453 323220219 /nfs/dbraw/zinc/22/02/19/323220219.db2.gz PVMFHSQOBLZALQ-INIZCTEOSA-N 2 2 321.380 3.400 10 0 DGAELP CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456337 523821206 /nfs/dbraw/zinc/82/12/06/523821206.db2.gz FYADDBHLNRGGRI-CYBMUJFWSA-N 2 2 314.408 3.257 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000156424498 526869632 /nfs/dbraw/zinc/86/96/32/526869632.db2.gz LOJPMIGWQZMMMV-RDTXWAMCSA-N 2 2 321.428 3.218 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000156424498 526869638 /nfs/dbraw/zinc/86/96/38/526869638.db2.gz LOJPMIGWQZMMMV-RDTXWAMCSA-N 2 2 321.428 3.218 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000188413957 546205407 /nfs/dbraw/zinc/20/54/07/546205407.db2.gz SBRYCEWRYCYRLC-AWEZNQCLSA-N 2 2 305.809 3.210 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000188413957 546205411 /nfs/dbraw/zinc/20/54/11/546205411.db2.gz SBRYCEWRYCYRLC-AWEZNQCLSA-N 2 2 305.809 3.210 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000389848584 546753289 /nfs/dbraw/zinc/75/32/89/546753289.db2.gz SKVRRUKMANVRMS-GQWLDOHISA-N 2 2 321.468 3.366 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000389848584 546753293 /nfs/dbraw/zinc/75/32/93/546753293.db2.gz SKVRRUKMANVRMS-GQWLDOHISA-N 2 2 321.468 3.366 10 0 DGAELP C[N@@H+]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000675075143 548150015 /nfs/dbraw/zinc/15/00/15/548150015.db2.gz LJLCQBAOZKBEHE-ZDUSSCGKSA-N 2 2 315.230 3.018 10 0 DGAELP C[N@H+]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000675075143 548150017 /nfs/dbraw/zinc/15/00/17/548150017.db2.gz LJLCQBAOZKBEHE-ZDUSSCGKSA-N 2 2 315.230 3.018 10 0 DGAELP Cc1csc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000742388899 574995877 /nfs/dbraw/zinc/99/58/77/574995877.db2.gz TYDVGRCAQVZLCI-OAHLLOKOSA-N 2 2 312.442 3.259 10 0 DGAELP C[C@]1(C[NH2+]C[C@H](O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000398007022 685234267 /nfs/dbraw/zinc/23/42/67/685234267.db2.gz YKWXPIKDHURPLB-LEWJYISDSA-N 2 2 324.468 3.364 10 0 DGAELP C[C@]1(C[NH2+]C[C@H](O)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000398007022 685234272 /nfs/dbraw/zinc/23/42/72/685234272.db2.gz YKWXPIKDHURPLB-LEWJYISDSA-N 2 2 324.468 3.364 10 0 DGAELP COc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1OC ZINC000078847704 1196802885 /nfs/dbraw/zinc/80/28/85/1196802885.db2.gz QMNUSAMZSRODDA-UHFFFAOYSA-N 2 2 315.417 3.081 10 0 DGAELP c1csc(-c2ncc(C[NH2+]CCCn3cc[nH+]c3)s2)c1 ZINC000083446977 1197429147 /nfs/dbraw/zinc/42/91/47/1197429147.db2.gz NNDIJCPHUGBVKH-UHFFFAOYSA-N 2 2 304.444 3.248 10 0 DGAELP c1nc(C2CC2)sc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000134276240 1201198786 /nfs/dbraw/zinc/19/87/86/1201198786.db2.gz KUEXHELGSVHFIS-UHFFFAOYSA-N 2 2 302.447 3.397 10 0 DGAELP C[C@H](CC[NH2+]Cc1ccc(Br)c(F)c1F)[NH+](C)C ZINC000701007972 1108885546 /nfs/dbraw/zinc/88/55/46/1108885546.db2.gz PRIGMJPXUCQVHO-SECBINFHSA-N 2 2 321.209 3.157 10 0 DGAELP c1cc2c(cccc2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812943 185343124 /nfs/dbraw/zinc/34/31/24/185343124.db2.gz IVDWTHQMIJQTTR-HNNXBMFYSA-N 2 2 306.413 3.497 10 0 DGAELP c1cc2c(cccc2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812943 185343125 /nfs/dbraw/zinc/34/31/25/185343125.db2.gz IVDWTHQMIJQTTR-HNNXBMFYSA-N 2 2 306.413 3.497 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181965463 199367655 /nfs/dbraw/zinc/36/76/55/199367655.db2.gz NMRQCTDZMNJQTI-DOMZBBRYSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181965463 199367656 /nfs/dbraw/zinc/36/76/56/199367656.db2.gz NMRQCTDZMNJQTI-DOMZBBRYSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181965463 199367657 /nfs/dbraw/zinc/36/76/57/199367657.db2.gz NMRQCTDZMNJQTI-DOMZBBRYSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181965463 199367659 /nfs/dbraw/zinc/36/76/59/199367659.db2.gz NMRQCTDZMNJQTI-DOMZBBRYSA-N 2 2 324.852 3.041 10 0 DGAELP CCc1cc(N2CCC([NH3+])CC2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070451868 190894594 /nfs/dbraw/zinc/89/45/94/190894594.db2.gz DNBJMMWUNMIQNQ-UHFFFAOYSA-N 2 2 316.836 3.287 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2sc(C)nc2C)C1 ZINC000172794302 198150022 /nfs/dbraw/zinc/15/00/22/198150022.db2.gz FITRFMMBGANPRT-AWEZNQCLSA-N 2 2 304.463 3.356 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000172794302 198150024 /nfs/dbraw/zinc/15/00/24/198150024.db2.gz FITRFMMBGANPRT-AWEZNQCLSA-N 2 2 304.463 3.356 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2sc(C)nc2C)C1 ZINC000172794294 198150385 /nfs/dbraw/zinc/15/03/85/198150385.db2.gz FITRFMMBGANPRT-CQSZACIVSA-N 2 2 304.463 3.356 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000172794294 198150386 /nfs/dbraw/zinc/15/03/86/198150386.db2.gz FITRFMMBGANPRT-CQSZACIVSA-N 2 2 304.463 3.356 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000173698870 198242578 /nfs/dbraw/zinc/24/25/78/198242578.db2.gz WJSKJNQCUPYBPF-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000173698870 198242579 /nfs/dbraw/zinc/24/25/79/198242579.db2.gz WJSKJNQCUPYBPF-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP Cc1cccc2[nH]cc(CC[NH2+]Cc3cccc4[nH+]ccn43)c21 ZINC000179423167 432057732 /nfs/dbraw/zinc/05/77/32/432057732.db2.gz AQRFHVQXGPIIPI-UHFFFAOYSA-N 2 2 304.397 3.456 10 0 DGAELP COCc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000179221137 199000561 /nfs/dbraw/zinc/00/05/61/199000561.db2.gz WSVGBBLTSFJQNI-SFHVURJKSA-N 2 2 311.429 3.162 10 0 DGAELP COCc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000179221137 199000563 /nfs/dbraw/zinc/00/05/63/199000563.db2.gz WSVGBBLTSFJQNI-SFHVURJKSA-N 2 2 311.429 3.162 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424350 432086470 /nfs/dbraw/zinc/08/64/70/432086470.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424350 432086472 /nfs/dbraw/zinc/08/64/72/432086472.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424350 432086475 /nfs/dbraw/zinc/08/64/75/432086475.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424350 432086476 /nfs/dbraw/zinc/08/64/76/432086476.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 2 318.490 3.063 10 0 DGAELP c1cn(-c2csc(C[NH2+]C[C@H]3CCCCN3C3CC3)c2)c[nH+]1 ZINC000434788241 238244932 /nfs/dbraw/zinc/24/49/32/238244932.db2.gz SWQJMMGKCOSQIS-OAHLLOKOSA-N 2 2 316.474 3.040 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246198486 432105148 /nfs/dbraw/zinc/10/51/48/432105148.db2.gz LQXMFAUTSWLWIF-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246198486 432105152 /nfs/dbraw/zinc/10/51/52/432105152.db2.gz LQXMFAUTSWLWIF-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246198486 432105153 /nfs/dbraw/zinc/10/51/53/432105153.db2.gz LQXMFAUTSWLWIF-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246198486 432105156 /nfs/dbraw/zinc/10/51/56/432105156.db2.gz LQXMFAUTSWLWIF-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP c1cn2c([nH+]1)C[C@@H](Nc1[nH+]cccc1OCc1ccccc1)CC2 ZINC000489889158 245359143 /nfs/dbraw/zinc/35/91/43/245359143.db2.gz QAWXUKAVEGYIPH-INIZCTEOSA-N 2 2 320.396 3.284 10 0 DGAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)CC1 ZINC000019997860 182175917 /nfs/dbraw/zinc/17/59/17/182175917.db2.gz UUJYBHCLGNDESS-AWEZNQCLSA-N 2 2 302.340 3.317 10 0 DGAELP CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH2+]C ZINC000020967931 182256952 /nfs/dbraw/zinc/25/69/52/182256952.db2.gz OEHYFMODLQFKGF-UHFFFAOYSA-N 2 2 305.249 3.481 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604079 432148163 /nfs/dbraw/zinc/14/81/63/432148163.db2.gz GIAVBAMBINFSHX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604079 432148168 /nfs/dbraw/zinc/14/81/68/432148168.db2.gz GIAVBAMBINFSHX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000246604079 432148171 /nfs/dbraw/zinc/14/81/71/432148171.db2.gz GIAVBAMBINFSHX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000246604079 432148176 /nfs/dbraw/zinc/14/81/76/432148176.db2.gz GIAVBAMBINFSHX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000153269097 284664660 /nfs/dbraw/zinc/66/46/60/284664660.db2.gz AQBPRLZDRVUTTH-IAGOWNOFSA-N 2 2 320.477 3.093 10 0 DGAELP CC(C)C[N@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042579245 183287038 /nfs/dbraw/zinc/28/70/38/183287038.db2.gz YYSKGULBDXTKTJ-NSHDSACASA-N 2 2 303.244 3.408 10 0 DGAELP CC(C)C[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042579245 183287039 /nfs/dbraw/zinc/28/70/39/183287039.db2.gz YYSKGULBDXTKTJ-NSHDSACASA-N 2 2 303.244 3.408 10 0 DGAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cs1 ZINC000043687683 183381511 /nfs/dbraw/zinc/38/15/11/183381511.db2.gz CERFMAVPNZKVQP-VHSXEESVSA-N 2 2 303.269 3.070 10 0 DGAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)cs1 ZINC000043687683 183381513 /nfs/dbraw/zinc/38/15/13/183381513.db2.gz CERFMAVPNZKVQP-VHSXEESVSA-N 2 2 303.269 3.070 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000105897757 194161996 /nfs/dbraw/zinc/16/19/96/194161996.db2.gz HGQCCSRAVDRZAZ-ZDUSSCGKSA-N 2 2 319.371 3.051 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000105897757 194161997 /nfs/dbraw/zinc/16/19/97/194161997.db2.gz HGQCCSRAVDRZAZ-ZDUSSCGKSA-N 2 2 319.371 3.051 10 0 DGAELP Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(-c2ccccc2)[nH+]1 ZINC000065381015 184331975 /nfs/dbraw/zinc/33/19/75/184331975.db2.gz NRGZPHHBQQIGLU-KRWDZBQOSA-N 2 2 308.429 3.127 10 0 DGAELP Cc1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc(-c2ccccc2)[nH+]1 ZINC000065381015 184331976 /nfs/dbraw/zinc/33/19/76/184331976.db2.gz NRGZPHHBQQIGLU-KRWDZBQOSA-N 2 2 308.429 3.127 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163382147 285038848 /nfs/dbraw/zinc/03/88/48/285038848.db2.gz OHMUENHMWYYTJB-JSGCOSHPSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163382147 285038850 /nfs/dbraw/zinc/03/88/50/285038850.db2.gz OHMUENHMWYYTJB-JSGCOSHPSA-N 2 2 314.832 3.241 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000344331088 254257939 /nfs/dbraw/zinc/25/79/39/254257939.db2.gz ADTXGRXKSMCTRN-ZDUSSCGKSA-N 2 2 303.431 3.125 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000121804465 195349979 /nfs/dbraw/zinc/34/99/79/195349979.db2.gz LZYXHCKDTXMUCL-UHFFFAOYSA-N 2 2 305.372 3.153 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2cccnc2c1 ZINC000616691048 400205320 /nfs/dbraw/zinc/20/53/20/400205320.db2.gz CSLXGOYNTLTVND-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2cccnc2c1 ZINC000616691048 400205324 /nfs/dbraw/zinc/20/53/24/400205324.db2.gz CSLXGOYNTLTVND-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358237099 286007143 /nfs/dbraw/zinc/00/71/43/286007143.db2.gz MHZKPLWEGQLNPQ-OAHLLOKOSA-N 2 2 304.434 3.006 10 0 DGAELP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358237099 286007144 /nfs/dbraw/zinc/00/71/44/286007144.db2.gz MHZKPLWEGQLNPQ-OAHLLOKOSA-N 2 2 304.434 3.006 10 0 DGAELP Cc1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)nc(C)[nH+]1 ZINC000608094105 401186578 /nfs/dbraw/zinc/18/65/78/401186578.db2.gz CSIXIVNNMZHKAW-MRXNPFEDSA-N 2 2 307.401 3.223 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CC[C@H]4C[C@H]4C3)c12 ZINC000630385811 401255860 /nfs/dbraw/zinc/25/58/60/401255860.db2.gz OTBMWXLDBVYSLI-HZSPNIEDSA-N 2 2 320.400 3.059 10 0 DGAELP OC1CCC([NH2+][C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000631678287 401532592 /nfs/dbraw/zinc/53/25/92/401532592.db2.gz BZDJJUVIQLDIKN-GPJFCIFZSA-N 2 2 316.489 3.324 10 0 DGAELP OC1CCC([NH2+][C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631678287 401532596 /nfs/dbraw/zinc/53/25/96/401532596.db2.gz BZDJJUVIQLDIKN-GPJFCIFZSA-N 2 2 316.489 3.324 10 0 DGAELP c1c2ccncc2sc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623728809 401572829 /nfs/dbraw/zinc/57/28/29/401572829.db2.gz BAVGNFUCQJXFEO-HNNXBMFYSA-N 2 2 301.459 3.403 10 0 DGAELP c1c2ccncc2sc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623728809 401572833 /nfs/dbraw/zinc/57/28/33/401572833.db2.gz BAVGNFUCQJXFEO-HNNXBMFYSA-N 2 2 301.459 3.403 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[nH+]c1 ZINC000364385823 287020709 /nfs/dbraw/zinc/02/07/09/287020709.db2.gz LWZWXQYTNRAPHO-RCCFBDPRSA-N 2 2 317.477 3.459 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056058 165281422 /nfs/dbraw/zinc/28/14/22/165281422.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056058 165281426 /nfs/dbraw/zinc/28/14/26/165281426.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 3 2 312.461 3.095 10 0 DGAELP CCCCc1noc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733873 165354284 /nfs/dbraw/zinc/35/42/84/165354284.db2.gz RDNPTRNDMLTSIH-HNNXBMFYSA-N 2 2 320.481 3.281 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221144489 165379489 /nfs/dbraw/zinc/37/94/89/165379489.db2.gz FYWBKQIKFPTVDZ-LBPRGKRZSA-N 2 2 304.768 3.125 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000221144489 165379490 /nfs/dbraw/zinc/37/94/90/165379490.db2.gz FYWBKQIKFPTVDZ-LBPRGKRZSA-N 2 2 304.768 3.125 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000246700912 432155047 /nfs/dbraw/zinc/15/50/47/432155047.db2.gz JJDTTXPSUWDGHB-QZTJIDSGSA-N 2 2 313.445 3.124 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000246700912 432155052 /nfs/dbraw/zinc/15/50/52/432155052.db2.gz JJDTTXPSUWDGHB-QZTJIDSGSA-N 2 2 313.445 3.124 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccs2)C1 ZINC000190461479 432158748 /nfs/dbraw/zinc/15/87/48/432158748.db2.gz LPMRNKZDSHSFOZ-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccs2)C1 ZINC000190461479 432158751 /nfs/dbraw/zinc/15/87/51/432158751.db2.gz LPMRNKZDSHSFOZ-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190461479 432158755 /nfs/dbraw/zinc/15/87/55/432158755.db2.gz LPMRNKZDSHSFOZ-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000190461479 432158760 /nfs/dbraw/zinc/15/87/60/432158760.db2.gz LPMRNKZDSHSFOZ-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000182150730 432162912 /nfs/dbraw/zinc/16/29/12/432162912.db2.gz HBSJJPPVYAQMSW-GLJUWKHASA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000182150730 432162917 /nfs/dbraw/zinc/16/29/17/432162917.db2.gz HBSJJPPVYAQMSW-GLJUWKHASA-N 2 2 303.450 3.024 10 0 DGAELP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172536981 432220216 /nfs/dbraw/zinc/22/02/16/432220216.db2.gz BCVHKAGUCLURBO-DNVCBOLYSA-N 2 2 320.452 3.462 10 0 DGAELP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000172536981 432220219 /nfs/dbraw/zinc/22/02/19/432220219.db2.gz BCVHKAGUCLURBO-DNVCBOLYSA-N 2 2 320.452 3.462 10 0 DGAELP CCc1csc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182744163 432224044 /nfs/dbraw/zinc/22/40/44/432224044.db2.gz XCRJOJYDAQKBLI-CQSZACIVSA-N 2 2 304.463 3.172 10 0 DGAELP CCc1csc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182744163 432224047 /nfs/dbraw/zinc/22/40/47/432224047.db2.gz XCRJOJYDAQKBLI-CQSZACIVSA-N 2 2 304.463 3.172 10 0 DGAELP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151271669 196657204 /nfs/dbraw/zinc/65/72/04/196657204.db2.gz IUWVPHGKAURIBR-CVEARBPZSA-N 2 2 316.445 3.239 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(-c3cccnc3)c1)C2 ZINC000368088325 271132031 /nfs/dbraw/zinc/13/20/31/271132031.db2.gz GLOQJMOLJXYRHQ-KRWDZBQOSA-N 2 2 304.397 3.119 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000368088325 271132037 /nfs/dbraw/zinc/13/20/37/271132037.db2.gz GLOQJMOLJXYRHQ-KRWDZBQOSA-N 2 2 304.397 3.119 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(-c3cccnc3)c1)C2 ZINC000368088326 271132091 /nfs/dbraw/zinc/13/20/91/271132091.db2.gz GLOQJMOLJXYRHQ-QGZVFWFLSA-N 2 2 304.397 3.119 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000368088326 271132095 /nfs/dbraw/zinc/13/20/95/271132095.db2.gz GLOQJMOLJXYRHQ-QGZVFWFLSA-N 2 2 304.397 3.119 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@H]2CCCc3ccccc32)c[nH+]1 ZINC000151532706 432253605 /nfs/dbraw/zinc/25/36/05/432253605.db2.gz ZJFAZTABJVHVDQ-SFHVURJKSA-N 2 2 304.397 3.435 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@@H]2CCCOc3ccccc32)c[nH+]1 ZINC000151520700 432254026 /nfs/dbraw/zinc/25/40/26/432254026.db2.gz MWCJQGRYQGWSOJ-QGZVFWFLSA-N 2 2 320.396 3.271 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000111229464 431201035 /nfs/dbraw/zinc/20/10/35/431201035.db2.gz SVXYWSQYJYJNTC-QGZVFWFLSA-N 2 2 311.429 3.218 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000111229464 431201039 /nfs/dbraw/zinc/20/10/39/431201039.db2.gz SVXYWSQYJYJNTC-QGZVFWFLSA-N 2 2 311.429 3.218 10 0 DGAELP C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000118842146 431621594 /nfs/dbraw/zinc/62/15/94/431621594.db2.gz TYLPSCVGEIAAKD-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000118842146 431621598 /nfs/dbraw/zinc/62/15/98/431621598.db2.gz TYLPSCVGEIAAKD-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842146 431621605 /nfs/dbraw/zinc/62/16/05/431621605.db2.gz TYLPSCVGEIAAKD-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842146 431621608 /nfs/dbraw/zinc/62/16/08/431621608.db2.gz TYLPSCVGEIAAKD-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118842515 431621766 /nfs/dbraw/zinc/62/17/66/431621766.db2.gz LNRXYCBRZOKOCB-MRXNPFEDSA-N 2 2 317.477 3.022 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118842515 431621773 /nfs/dbraw/zinc/62/17/73/431621773.db2.gz LNRXYCBRZOKOCB-MRXNPFEDSA-N 2 2 317.477 3.022 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118842515 431621777 /nfs/dbraw/zinc/62/17/77/431621777.db2.gz LNRXYCBRZOKOCB-MRXNPFEDSA-N 2 2 317.477 3.022 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118842515 431621783 /nfs/dbraw/zinc/62/17/83/431621783.db2.gz LNRXYCBRZOKOCB-MRXNPFEDSA-N 2 2 317.477 3.022 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095540 431782949 /nfs/dbraw/zinc/78/29/49/431782949.db2.gz MXLVIVNATDGOCG-KDOFPFPSSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095540 431782955 /nfs/dbraw/zinc/78/29/55/431782955.db2.gz MXLVIVNATDGOCG-KDOFPFPSSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095540 431782957 /nfs/dbraw/zinc/78/29/57/431782957.db2.gz MXLVIVNATDGOCG-KDOFPFPSSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095540 431782961 /nfs/dbraw/zinc/78/29/61/431782961.db2.gz MXLVIVNATDGOCG-KDOFPFPSSA-N 2 2 312.461 3.100 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956278 431849734 /nfs/dbraw/zinc/84/97/34/431849734.db2.gz QYXRYPFSLJJPBZ-INIZCTEOSA-N 2 2 315.465 3.234 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956278 431849737 /nfs/dbraw/zinc/84/97/37/431849737.db2.gz QYXRYPFSLJJPBZ-INIZCTEOSA-N 2 2 315.465 3.234 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916204 431851403 /nfs/dbraw/zinc/85/14/03/431851403.db2.gz WBHQONHIBCSBPY-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916204 431851405 /nfs/dbraw/zinc/85/14/05/431851405.db2.gz WBHQONHIBCSBPY-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123429194 431865137 /nfs/dbraw/zinc/86/51/37/431865137.db2.gz MUCZTWCOLSDKMR-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123429194 431865139 /nfs/dbraw/zinc/86/51/39/431865139.db2.gz MUCZTWCOLSDKMR-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123429194 431865140 /nfs/dbraw/zinc/86/51/40/431865140.db2.gz MUCZTWCOLSDKMR-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123429194 431865141 /nfs/dbraw/zinc/86/51/41/431865141.db2.gz MUCZTWCOLSDKMR-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123861405 431877007 /nfs/dbraw/zinc/87/70/07/431877007.db2.gz DPUPMNHHJTXWJX-GHMZBOCLSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)s2)CC[N@H+]1C ZINC000123861405 431877009 /nfs/dbraw/zinc/87/70/09/431877009.db2.gz DPUPMNHHJTXWJX-GHMZBOCLSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123861405 431877011 /nfs/dbraw/zinc/87/70/11/431877011.db2.gz DPUPMNHHJTXWJX-GHMZBOCLSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123861405 431877013 /nfs/dbraw/zinc/87/70/13/431877013.db2.gz DPUPMNHHJTXWJX-GHMZBOCLSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958714 431879368 /nfs/dbraw/zinc/87/93/68/431879368.db2.gz WQMRHLDCXPDITO-JSGCOSHPSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958714 431879370 /nfs/dbraw/zinc/87/93/70/431879370.db2.gz WQMRHLDCXPDITO-JSGCOSHPSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958714 431879372 /nfs/dbraw/zinc/87/93/72/431879372.db2.gz WQMRHLDCXPDITO-JSGCOSHPSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958714 431879373 /nfs/dbraw/zinc/87/93/73/431879373.db2.gz WQMRHLDCXPDITO-JSGCOSHPSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124249154 431887052 /nfs/dbraw/zinc/88/70/52/431887052.db2.gz PNMYSBXYHHDDGR-AWEZNQCLSA-N 2 2 311.389 3.016 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124249154 431887053 /nfs/dbraw/zinc/88/70/53/431887053.db2.gz PNMYSBXYHHDDGR-AWEZNQCLSA-N 2 2 311.389 3.016 10 0 DGAELP Cc1ccc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)[nH+]c1 ZINC000091727819 431905338 /nfs/dbraw/zinc/90/53/38/431905338.db2.gz YFMCLTPCPOTWKQ-ZDUSSCGKSA-N 2 2 302.447 3.166 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000128280403 431991520 /nfs/dbraw/zinc/99/15/20/431991520.db2.gz FWOVPWYJIFXLQM-OAHLLOKOSA-N 2 2 321.428 3.200 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000248437481 432290962 /nfs/dbraw/zinc/29/09/62/432290962.db2.gz HBSJJPPVYAQMSW-SUNYJGFJSA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000248437481 432290965 /nfs/dbraw/zinc/29/09/65/432290965.db2.gz HBSJJPPVYAQMSW-SUNYJGFJSA-N 2 2 303.450 3.024 10 0 DGAELP Clc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000173779291 432300428 /nfs/dbraw/zinc/30/04/28/432300428.db2.gz JBDXTFVIEANCIJ-CYBMUJFWSA-N 2 2 302.809 3.064 10 0 DGAELP Clc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000173779291 432300429 /nfs/dbraw/zinc/30/04/29/432300429.db2.gz JBDXTFVIEANCIJ-CYBMUJFWSA-N 2 2 302.809 3.064 10 0 DGAELP Cc1ccccc1-c1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)no1 ZINC000128588267 431996855 /nfs/dbraw/zinc/99/68/55/431996855.db2.gz PEACFVQGZCHXDU-UHFFFAOYSA-N 2 2 323.400 3.079 10 0 DGAELP CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183158212 432263649 /nfs/dbraw/zinc/26/36/49/432263649.db2.gz LRRGCCKWTLKFTQ-DYVFJYSZSA-N 2 2 315.417 3.173 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248742285 432316893 /nfs/dbraw/zinc/31/68/93/432316893.db2.gz RHYZNMRZJJXFCL-FUHIMQAGSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248742285 432316897 /nfs/dbraw/zinc/31/68/97/432316897.db2.gz RHYZNMRZJJXFCL-FUHIMQAGSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248828495 432321563 /nfs/dbraw/zinc/32/15/63/432321563.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248828495 432321567 /nfs/dbraw/zinc/32/15/67/432321567.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828495 432321570 /nfs/dbraw/zinc/32/15/70/432321570.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828495 432321572 /nfs/dbraw/zinc/32/15/72/432321572.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 3 2 312.461 3.095 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000249163621 432341126 /nfs/dbraw/zinc/34/11/26/432341126.db2.gz ZZDKVQDLNYPQOY-BHIYHBOVSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000249163621 432341129 /nfs/dbraw/zinc/34/11/29/432341129.db2.gz ZZDKVQDLNYPQOY-BHIYHBOVSA-N 2 2 302.462 3.056 10 0 DGAELP Fc1cc(F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000152690356 432347614 /nfs/dbraw/zinc/34/76/14/432347614.db2.gz VEPLBYPGZCOWOL-UHFFFAOYSA-N 2 2 312.379 3.412 10 0 DGAELP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249685413 432353603 /nfs/dbraw/zinc/35/36/03/432353603.db2.gz GHWSDVPEYGFVQG-LSDHHAIUSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249685413 432353605 /nfs/dbraw/zinc/35/36/05/432353605.db2.gz GHWSDVPEYGFVQG-LSDHHAIUSA-N 2 2 306.425 3.072 10 0 DGAELP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000152100127 432305163 /nfs/dbraw/zinc/30/51/63/432305163.db2.gz SMYDLHRRJSCTCO-UHFFFAOYSA-N 2 2 315.417 3.036 10 0 DGAELP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000152100127 432305169 /nfs/dbraw/zinc/30/51/69/432305169.db2.gz SMYDLHRRJSCTCO-UHFFFAOYSA-N 2 2 315.417 3.036 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000252802913 432388124 /nfs/dbraw/zinc/38/81/24/432388124.db2.gz VTENVOIZIJGESL-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000252802913 432388126 /nfs/dbraw/zinc/38/81/26/432388126.db2.gz VTENVOIZIJGESL-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000252802913 432388130 /nfs/dbraw/zinc/38/81/30/432388130.db2.gz VTENVOIZIJGESL-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000252802913 432388132 /nfs/dbraw/zinc/38/81/32/432388132.db2.gz VTENVOIZIJGESL-PKOBYXMFSA-N 2 2 324.472 3.301 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@@H]2CCCNc3ccccc32)c[nH+]1 ZINC000192654341 432396833 /nfs/dbraw/zinc/39/68/33/432396833.db2.gz WOZSOIGHRJLTMH-GOSISDBHSA-N 2 2 319.412 3.304 10 0 DGAELP C[NH2+]C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000261610082 432432116 /nfs/dbraw/zinc/43/21/16/432432116.db2.gz SEWZNLHGMLXHHG-UHFFFAOYSA-N 2 2 303.233 3.056 10 0 DGAELP CCOc1c(Cl)cccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261764459 432448866 /nfs/dbraw/zinc/44/88/66/432448866.db2.gz DGEJFPGYPQYOGL-YIONKMFJSA-N 2 2 308.853 3.454 10 0 DGAELP CCOc1c(Cl)cccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261764459 432448872 /nfs/dbraw/zinc/44/88/72/432448872.db2.gz DGEJFPGYPQYOGL-YIONKMFJSA-N 2 2 308.853 3.454 10 0 DGAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000175991286 432483407 /nfs/dbraw/zinc/48/34/07/432483407.db2.gz LBCXYPZLBWJWNQ-AWEZNQCLSA-N 2 2 309.417 3.008 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000158562045 432649953 /nfs/dbraw/zinc/64/99/53/432649953.db2.gz BOXFTPHMXQWYPQ-BXWFABGCSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000158562045 432649958 /nfs/dbraw/zinc/64/99/58/432649958.db2.gz BOXFTPHMXQWYPQ-BXWFABGCSA-N 2 2 310.445 3.038 10 0 DGAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCO[C@@H]3C(C)(C)C)n2c1 ZINC000189238186 432771090 /nfs/dbraw/zinc/77/10/90/432771090.db2.gz UBFCTBPXAUSORE-PBHICJAKSA-N 2 2 301.434 3.184 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000178752244 432773073 /nfs/dbraw/zinc/77/30/73/432773073.db2.gz SIRHCLYHOKADHC-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000178752244 432773077 /nfs/dbraw/zinc/77/30/77/432773077.db2.gz SIRHCLYHOKADHC-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752244 432773082 /nfs/dbraw/zinc/77/30/82/432773082.db2.gz SIRHCLYHOKADHC-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752244 432773085 /nfs/dbraw/zinc/77/30/85/432773085.db2.gz SIRHCLYHOKADHC-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000178746983 432773526 /nfs/dbraw/zinc/77/35/26/432773526.db2.gz JKMJPFYEDXKTKZ-MRXNPFEDSA-N 2 2 321.428 3.108 10 0 DGAELP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275681016 432740695 /nfs/dbraw/zinc/74/06/95/432740695.db2.gz WGNCESWMGYPPKA-WQQJMYJYSA-N 2 2 311.429 3.333 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498234 432783493 /nfs/dbraw/zinc/78/34/93/432783493.db2.gz CKYMJWIJTPSYOL-ZYHUDNBSSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498234 432783497 /nfs/dbraw/zinc/78/34/97/432783497.db2.gz CKYMJWIJTPSYOL-ZYHUDNBSSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1cccs1 ZINC000178855452 432783951 /nfs/dbraw/zinc/78/39/51/432783951.db2.gz JCRDVZBUCRREPG-NSHDSACASA-N 2 2 322.397 3.445 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245754120 432861203 /nfs/dbraw/zinc/86/12/03/432861203.db2.gz HJRFEQHXJNBWOZ-ZFWWWQNUSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245754120 432861206 /nfs/dbraw/zinc/86/12/06/432861206.db2.gz HJRFEQHXJNBWOZ-ZFWWWQNUSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245754120 432861207 /nfs/dbraw/zinc/86/12/07/432861207.db2.gz HJRFEQHXJNBWOZ-ZFWWWQNUSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245754120 432861209 /nfs/dbraw/zinc/86/12/09/432861209.db2.gz HJRFEQHXJNBWOZ-ZFWWWQNUSA-N 2 2 324.900 3.113 10 0 DGAELP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245940929 432871736 /nfs/dbraw/zinc/87/17/36/432871736.db2.gz UJSJVXFVDVEVNW-YJBOKZPZSA-N 2 2 313.445 3.468 10 0 DGAELP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245940929 432871738 /nfs/dbraw/zinc/87/17/38/432871738.db2.gz UJSJVXFVDVEVNW-YJBOKZPZSA-N 2 2 313.445 3.468 10 0 DGAELP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245597782 432848912 /nfs/dbraw/zinc/84/89/12/432848912.db2.gz LVQBNVFFONXJJH-KBRIMQKVSA-N 2 2 319.836 3.153 10 0 DGAELP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000245597782 432848913 /nfs/dbraw/zinc/84/89/13/432848913.db2.gz LVQBNVFFONXJJH-KBRIMQKVSA-N 2 2 319.836 3.153 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245687120 432855361 /nfs/dbraw/zinc/85/53/61/432855361.db2.gz AJDLLUFYAYMYPJ-IAQYHMDHSA-N 2 2 309.335 3.384 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245687120 432855365 /nfs/dbraw/zinc/85/53/65/432855365.db2.gz AJDLLUFYAYMYPJ-IAQYHMDHSA-N 2 2 309.335 3.384 10 0 DGAELP COc1cccc(CCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245704068 432856864 /nfs/dbraw/zinc/85/68/64/432856864.db2.gz RUMHCWWVQIUBKW-VQIMIIECSA-N 2 2 313.445 3.407 10 0 DGAELP COc1cccc(CCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245704068 432856867 /nfs/dbraw/zinc/85/68/67/432856867.db2.gz RUMHCWWVQIUBKW-VQIMIIECSA-N 2 2 313.445 3.407 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000341387737 433044666 /nfs/dbraw/zinc/04/46/66/433044666.db2.gz YTKBYIPMZMKPSL-VXNCWWDNSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000341387737 433044671 /nfs/dbraw/zinc/04/46/71/433044671.db2.gz YTKBYIPMZMKPSL-VXNCWWDNSA-N 2 2 306.494 3.188 10 0 DGAELP COC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000446745131 433099625 /nfs/dbraw/zinc/09/96/25/433099625.db2.gz LVIMGVIEZDWDKT-LJQANCHMSA-N 2 2 313.445 3.226 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000341472941 433078602 /nfs/dbraw/zinc/07/86/02/433078602.db2.gz AXWLSKOTBURNBW-TVKQPGBESA-N 2 2 316.489 3.443 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000341472941 433078606 /nfs/dbraw/zinc/07/86/06/433078606.db2.gz AXWLSKOTBURNBW-TVKQPGBESA-N 2 2 316.489 3.443 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3ccccn3)C2)n2c1CCCC2 ZINC000282083893 433491488 /nfs/dbraw/zinc/49/14/88/433491488.db2.gz OEZJZWQSHGXBMO-MRXNPFEDSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCc3ccccn3)C2)n2c1CCCC2 ZINC000282083893 433491501 /nfs/dbraw/zinc/49/15/01/433491501.db2.gz OEZJZWQSHGXBMO-MRXNPFEDSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCc3ccccn3)C2)n2c1CCCC2 ZINC000282083889 433492877 /nfs/dbraw/zinc/49/28/77/433492877.db2.gz OEZJZWQSHGXBMO-INIZCTEOSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CCc3ccccn3)C2)n2c1CCCC2 ZINC000282083889 433492887 /nfs/dbraw/zinc/49/28/87/433492887.db2.gz OEZJZWQSHGXBMO-INIZCTEOSA-N 2 2 310.445 3.037 10 0 DGAELP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000373591593 293294467 /nfs/dbraw/zinc/29/44/67/293294467.db2.gz GFBXXEHFSIXFGI-UHFFFAOYSA-N 2 2 321.428 3.280 10 0 DGAELP c1cn2c(cccc2C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)[nH+]1 ZINC000374498380 293408673 /nfs/dbraw/zinc/40/86/73/293408673.db2.gz VCLVZARTTLWZQA-VQIMIIECSA-N 2 2 307.397 3.202 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000377415017 433878803 /nfs/dbraw/zinc/87/88/03/433878803.db2.gz WYSWNCATUAWSNR-DYVFJYSZSA-N 2 2 309.413 3.303 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415017 433878808 /nfs/dbraw/zinc/87/88/08/433878808.db2.gz WYSWNCATUAWSNR-DYVFJYSZSA-N 2 2 309.413 3.303 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000377415525 433879591 /nfs/dbraw/zinc/87/95/91/433879591.db2.gz YODKIEPXRXXUEX-DOTOQJQBSA-N 2 2 323.440 3.259 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415525 433879599 /nfs/dbraw/zinc/87/95/99/433879599.db2.gz YODKIEPXRXXUEX-DOTOQJQBSA-N 2 2 323.440 3.259 10 0 DGAELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414952704 433936903 /nfs/dbraw/zinc/93/69/03/433936903.db2.gz IRDYJQAJBRXDSJ-TVQRCGJNSA-N 2 2 317.658 3.190 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340356608 434084007 /nfs/dbraw/zinc/08/40/07/434084007.db2.gz QMPISCYQHQLHND-PKOBYXMFSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340356608 434084016 /nfs/dbraw/zinc/08/40/16/434084016.db2.gz QMPISCYQHQLHND-PKOBYXMFSA-N 2 2 302.462 3.198 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOCC34CCCC4)c2)c[nH+]1 ZINC000346210766 434202591 /nfs/dbraw/zinc/20/25/91/434202591.db2.gz WBCJOMKSLWXKOA-UHFFFAOYSA-N 2 2 303.431 3.079 10 0 DGAELP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000379647190 434261194 /nfs/dbraw/zinc/26/11/94/434261194.db2.gz KDWAFSKEZFCTBU-RTBURBONSA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000379647190 434261201 /nfs/dbraw/zinc/26/12/01/434261201.db2.gz KDWAFSKEZFCTBU-RTBURBONSA-N 2 2 304.478 3.302 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000379652156 434261851 /nfs/dbraw/zinc/26/18/51/434261851.db2.gz WABJVZUNCITJFD-AQNXPRMDSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000379652156 434261854 /nfs/dbraw/zinc/26/18/54/434261854.db2.gz WABJVZUNCITJFD-AQNXPRMDSA-N 2 2 316.489 3.446 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C2 ZINC000353615103 434271549 /nfs/dbraw/zinc/27/15/49/434271549.db2.gz XXWBMDJFWYGTFM-KYJSFNMBSA-N 2 2 311.429 3.025 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CC2 ZINC000353615103 434271558 /nfs/dbraw/zinc/27/15/58/434271558.db2.gz XXWBMDJFWYGTFM-KYJSFNMBSA-N 2 2 311.429 3.025 10 0 DGAELP CC1=CC[NH+](CCN[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173317 434364442 /nfs/dbraw/zinc/36/44/42/434364442.db2.gz WGHLCBQGTWIYNB-ICSRJNTNSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[NH+](CCN[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173317 434364450 /nfs/dbraw/zinc/36/44/50/434364450.db2.gz WGHLCBQGTWIYNB-ICSRJNTNSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@H+](CCN[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173317 434364459 /nfs/dbraw/zinc/36/44/59/434364459.db2.gz WGHLCBQGTWIYNB-ICSRJNTNSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@@H+](CCN[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173317 434364469 /nfs/dbraw/zinc/36/44/69/434364469.db2.gz WGHLCBQGTWIYNB-ICSRJNTNSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000358126705 434342168 /nfs/dbraw/zinc/34/21/68/434342168.db2.gz BHXNLLPRPLMTRE-UHFFFAOYSA-N 2 2 310.388 3.072 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC000358126705 434342176 /nfs/dbraw/zinc/34/21/76/434342176.db2.gz BHXNLLPRPLMTRE-UHFFFAOYSA-N 2 2 310.388 3.072 10 0 DGAELP COC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868531 434351329 /nfs/dbraw/zinc/35/13/29/434351329.db2.gz NKWJXMDXFGGNRA-QMMLZNLJSA-N 2 2 324.468 3.484 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923054 434446905 /nfs/dbraw/zinc/44/69/05/434446905.db2.gz PJKVFQWIEYVVBM-HSALFYBXSA-N 3 2 315.505 3.148 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923054 434446908 /nfs/dbraw/zinc/44/69/08/434446908.db2.gz PJKVFQWIEYVVBM-HSALFYBXSA-N 3 2 315.505 3.148 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398015083 434449893 /nfs/dbraw/zinc/44/98/93/434449893.db2.gz FYFQHVJZKTXLBD-ZWKOTPCHSA-N 2 2 306.494 3.140 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398015083 434449901 /nfs/dbraw/zinc/44/99/01/434449901.db2.gz FYFQHVJZKTXLBD-ZWKOTPCHSA-N 2 2 306.494 3.140 10 0 DGAELP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527808043 295134346 /nfs/dbraw/zinc/13/43/46/295134346.db2.gz PIPBIWFDGQXRIG-RDJZCZTQSA-N 2 2 300.446 3.159 10 0 DGAELP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527808043 295134348 /nfs/dbraw/zinc/13/43/48/295134348.db2.gz PIPBIWFDGQXRIG-RDJZCZTQSA-N 2 2 300.446 3.159 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC[C@H]3CCCOC3)C2)cc1 ZINC000527928560 295152001 /nfs/dbraw/zinc/15/20/01/295152001.db2.gz PKVPCCKELYADCS-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC[C@H]3CCCOC3)C2)cc1 ZINC000527928560 295152002 /nfs/dbraw/zinc/15/20/02/295152002.db2.gz PKVPCCKELYADCS-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527952662 295156190 /nfs/dbraw/zinc/15/61/90/295156190.db2.gz VAJHZYUJAJNQIG-MJGOQNOKSA-N 2 2 313.489 3.326 10 0 DGAELP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527952662 295156191 /nfs/dbraw/zinc/15/61/91/295156191.db2.gz VAJHZYUJAJNQIG-MJGOQNOKSA-N 2 2 313.489 3.326 10 0 DGAELP c1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185952 434652346 /nfs/dbraw/zinc/65/23/46/434652346.db2.gz VEMVWLDOZFNIQL-ZBFHGGJFSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185952 434652355 /nfs/dbraw/zinc/65/23/55/434652355.db2.gz VEMVWLDOZFNIQL-ZBFHGGJFSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185952 434652369 /nfs/dbraw/zinc/65/23/69/434652369.db2.gz VEMVWLDOZFNIQL-ZBFHGGJFSA-N 2 2 301.434 3.001 10 0 DGAELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360975711 434751553 /nfs/dbraw/zinc/75/15/53/434751553.db2.gz PXCWQSMDUBYAIL-CQSZACIVSA-N 2 2 315.417 3.017 10 0 DGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@H]1c1cccs1 ZINC000453111526 434804447 /nfs/dbraw/zinc/80/44/47/434804447.db2.gz BZVGYPHXBFKSEL-FMKPAKJESA-N 2 2 316.474 3.062 10 0 DGAELP Cc1[nH+]c2c(cc(-c3ccnc(NCC[NH3+])n3)cc2C)n1C(C)C ZINC000575310429 435030086 /nfs/dbraw/zinc/03/00/86/435030086.db2.gz YSNYKQDKJIKAHS-UHFFFAOYSA-N 2 2 324.432 3.062 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3conc3Cc3ccccc3)CC2)[nH+]1 ZINC000570113294 435590519 /nfs/dbraw/zinc/59/05/19/435590519.db2.gz OUIYBXCRSAPHDT-UHFFFAOYSA-N 2 2 322.412 3.368 10 0 DGAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1Br ZINC000657288760 436115896 /nfs/dbraw/zinc/11/58/96/436115896.db2.gz ACMVDXPIMYOEFM-NSHDSACASA-N 2 2 320.234 3.443 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218279 313341613 /nfs/dbraw/zinc/34/16/13/313341613.db2.gz INKKFMDKJQQLLJ-IEBWSBKVSA-N 2 2 312.457 3.263 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091142 315311325 /nfs/dbraw/zinc/31/13/25/315311325.db2.gz STPVNNRMTKKVRZ-IHPCNDPISA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091142 315311327 /nfs/dbraw/zinc/31/13/27/315311327.db2.gz STPVNNRMTKKVRZ-IHPCNDPISA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414969 324350800 /nfs/dbraw/zinc/35/08/00/324350800.db2.gz KTRAKWHWOPWKAP-VQIMIIECSA-N 2 2 302.462 3.228 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414969 324350802 /nfs/dbraw/zinc/35/08/02/324350802.db2.gz KTRAKWHWOPWKAP-VQIMIIECSA-N 2 2 302.462 3.228 10 0 DGAELP Cc1nc(CC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cs1 ZINC000299743153 534329825 /nfs/dbraw/zinc/32/98/25/534329825.db2.gz MDCLVWYOXMOJQD-OAHLLOKOSA-N 2 2 316.474 3.016 10 0 DGAELP Cc1nc(CC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cs1 ZINC000299743153 534329832 /nfs/dbraw/zinc/32/98/32/534329832.db2.gz MDCLVWYOXMOJQD-OAHLLOKOSA-N 2 2 316.474 3.016 10 0 DGAELP Cc1nc(NC2CCC(C[NH+](C)C)CC2)c2c([nH+]1)CCCC2 ZINC000302094832 534622465 /nfs/dbraw/zinc/62/24/65/534622465.db2.gz NPJYSYOSFLSUNS-UHFFFAOYSA-N 2 2 302.466 3.196 10 0 DGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657068 534815962 /nfs/dbraw/zinc/81/59/62/534815962.db2.gz ZYMOJRIMEPIOIB-RDTXWAMCSA-N 2 2 311.385 3.176 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000152409786 525617114 /nfs/dbraw/zinc/61/71/14/525617114.db2.gz KYFGDEWAHOCVMC-RYRKJORJSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000152409786 525617123 /nfs/dbraw/zinc/61/71/23/525617123.db2.gz KYFGDEWAHOCVMC-RYRKJORJSA-N 2 2 310.445 3.038 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000123798421 545907593 /nfs/dbraw/zinc/90/75/93/545907593.db2.gz GIAVBAMBINFSHX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000123798421 545907600 /nfs/dbraw/zinc/90/76/00/545907600.db2.gz GIAVBAMBINFSHX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000123798421 545907604 /nfs/dbraw/zinc/90/76/04/545907604.db2.gz GIAVBAMBINFSHX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000123798421 545907612 /nfs/dbraw/zinc/90/76/12/545907612.db2.gz GIAVBAMBINFSHX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152970740 546006387 /nfs/dbraw/zinc/00/63/87/546006387.db2.gz MXIMREYJUVOPKY-KXBFYZLASA-N 2 2 312.461 3.423 10 0 DGAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152970740 546006391 /nfs/dbraw/zinc/00/63/91/546006391.db2.gz MXIMREYJUVOPKY-KXBFYZLASA-N 2 2 312.461 3.423 10 0 DGAELP CCC[NH+]1CCC([NH2+]Cc2nc3ccccc3n2C2CC2)CC1 ZINC000184408098 546182804 /nfs/dbraw/zinc/18/28/04/546182804.db2.gz QFKKCLTZMSQXAG-UHFFFAOYSA-N 2 2 312.461 3.335 10 0 DGAELP c1coc(-c2ncc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)s2)c1 ZINC000194482380 546247834 /nfs/dbraw/zinc/24/78/34/546247834.db2.gz JJWGNPJVJQTEGZ-CYBMUJFWSA-N 2 2 314.414 3.264 10 0 DGAELP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)s2)c1 ZINC000194482380 546247839 /nfs/dbraw/zinc/24/78/39/546247839.db2.gz JJWGNPJVJQTEGZ-CYBMUJFWSA-N 2 2 314.414 3.264 10 0 DGAELP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000250373206 546328590 /nfs/dbraw/zinc/32/85/90/546328590.db2.gz WZOAHQILMXEQCO-ZIAGYGMSSA-N 2 2 307.507 3.405 10 0 DGAELP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000250373206 546328595 /nfs/dbraw/zinc/32/85/95/546328595.db2.gz WZOAHQILMXEQCO-ZIAGYGMSSA-N 2 2 307.507 3.405 10 0 DGAELP c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085869 546469206 /nfs/dbraw/zinc/46/92/06/546469206.db2.gz SRTXMYDOGPAWPE-FUHWJXTLSA-N 2 2 311.429 3.306 10 0 DGAELP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085869 546469208 /nfs/dbraw/zinc/46/92/08/546469208.db2.gz SRTXMYDOGPAWPE-FUHWJXTLSA-N 2 2 311.429 3.306 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncs1 ZINC000398111530 575960841 /nfs/dbraw/zinc/96/08/41/575960841.db2.gz NYOKRQZPXYRHQY-RHSMWYFYSA-N 2 2 301.459 3.143 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncs1 ZINC000398111530 575960843 /nfs/dbraw/zinc/96/08/43/575960843.db2.gz NYOKRQZPXYRHQY-RHSMWYFYSA-N 2 2 301.459 3.143 10 0 DGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261889429 657164107 /nfs/dbraw/zinc/16/41/07/657164107.db2.gz SOBBPLLGZPIJCD-MAUKXSAKSA-N 2 2 321.896 3.018 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844697 658148413 /nfs/dbraw/zinc/14/84/13/658148413.db2.gz MORMUTVYPFAJPZ-VXGBXAGGSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844697 658148419 /nfs/dbraw/zinc/14/84/19/658148419.db2.gz MORMUTVYPFAJPZ-VXGBXAGGSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000720844696 658148806 /nfs/dbraw/zinc/14/88/06/658148806.db2.gz MORMUTVYPFAJPZ-RYUDHWBXSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000720844696 658148811 /nfs/dbraw/zinc/14/88/11/658148811.db2.gz MORMUTVYPFAJPZ-RYUDHWBXSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878790 658155102 /nfs/dbraw/zinc/15/51/02/658155102.db2.gz UDGICWMWFZCLTN-SUZMYJTESA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878790 658155105 /nfs/dbraw/zinc/15/51/05/658155105.db2.gz UDGICWMWFZCLTN-SUZMYJTESA-N 2 2 306.759 3.470 10 0 DGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000718081308 662222074 /nfs/dbraw/zinc/22/20/74/662222074.db2.gz ZGLCRDTVSOHZLS-IOJLRTSASA-N 2 2 316.489 3.180 10 0 DGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000718081308 662222077 /nfs/dbraw/zinc/22/20/77/662222077.db2.gz ZGLCRDTVSOHZLS-IOJLRTSASA-N 2 2 316.489 3.180 10 0 DGAELP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000237114669 1202647668 /nfs/dbraw/zinc/64/76/68/1202647668.db2.gz BKZWUZVCRRPSRA-UHFFFAOYSA-N 2 2 324.852 3.097 10 0 DGAELP Fc1ccc(SCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076680221 185030616 /nfs/dbraw/zinc/03/06/16/185030616.db2.gz ZLZQMHXIOXAUDG-UHFFFAOYSA-N 2 2 308.466 3.478 10 0 DGAELP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812783 185343382 /nfs/dbraw/zinc/34/33/82/185343382.db2.gz KAUUCLFZUNVETO-AWEZNQCLSA-N 2 2 313.449 3.036 10 0 DGAELP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812783 185343383 /nfs/dbraw/zinc/34/33/83/185343383.db2.gz KAUUCLFZUNVETO-AWEZNQCLSA-N 2 2 313.449 3.036 10 0 DGAELP c1ccc(NC[C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]c1 ZINC000092812685 185343491 /nfs/dbraw/zinc/34/34/91/185343491.db2.gz VWZKDRSMAAFRDS-INIZCTEOSA-N 2 2 321.424 3.291 10 0 DGAELP c1ccc(NC[C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]c1 ZINC000092812685 185343492 /nfs/dbraw/zinc/34/34/92/185343492.db2.gz VWZKDRSMAAFRDS-INIZCTEOSA-N 2 2 321.424 3.291 10 0 DGAELP Cc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000070451886 190895105 /nfs/dbraw/zinc/89/51/05/190895105.db2.gz CNAOKYKMHMEXSW-UHFFFAOYSA-N 2 2 302.809 3.033 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000174785646 198385804 /nfs/dbraw/zinc/38/58/04/198385804.db2.gz JJDTTXPSUWDGHB-MSOLQXFVSA-N 2 2 313.445 3.124 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000174785646 198385807 /nfs/dbraw/zinc/38/58/07/198385807.db2.gz JJDTTXPSUWDGHB-MSOLQXFVSA-N 2 2 313.445 3.124 10 0 DGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000133035248 432057553 /nfs/dbraw/zinc/05/75/53/432057553.db2.gz PGKIJZMNCQRUSB-MAUKXSAKSA-N 3 2 312.461 3.316 10 0 DGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000133035248 432057554 /nfs/dbraw/zinc/05/75/54/432057554.db2.gz PGKIJZMNCQRUSB-MAUKXSAKSA-N 3 2 312.461 3.316 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000166892243 432063130 /nfs/dbraw/zinc/06/31/30/432063130.db2.gz QOQMPRHOQOXPNB-GDBMZVCRSA-N 2 2 320.799 3.435 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000166892243 432063131 /nfs/dbraw/zinc/06/31/31/432063131.db2.gz QOQMPRHOQOXPNB-GDBMZVCRSA-N 2 2 320.799 3.435 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423142 199157592 /nfs/dbraw/zinc/15/75/92/199157592.db2.gz SXSVARFTDXMOAN-JSGCOSHPSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000180423142 199157594 /nfs/dbraw/zinc/15/75/94/199157594.db2.gz SXSVARFTDXMOAN-JSGCOSHPSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423142 199157596 /nfs/dbraw/zinc/15/75/96/199157596.db2.gz SXSVARFTDXMOAN-JSGCOSHPSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423142 199157597 /nfs/dbraw/zinc/15/75/97/199157597.db2.gz SXSVARFTDXMOAN-JSGCOSHPSA-N 2 2 318.490 3.188 10 0 DGAELP CCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000180669432 199194128 /nfs/dbraw/zinc/19/41/28/199194128.db2.gz QNXMPMRNKABJAL-CHWSQXEVSA-N 2 2 311.389 3.230 10 0 DGAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180135994 432079409 /nfs/dbraw/zinc/07/94/09/432079409.db2.gz PDOSCKHSILURDX-MRXNPFEDSA-N 2 2 309.417 3.022 10 0 DGAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180135994 432079410 /nfs/dbraw/zinc/07/94/10/432079410.db2.gz PDOSCKHSILURDX-MRXNPFEDSA-N 2 2 309.417 3.022 10 0 DGAELP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000188091644 200191987 /nfs/dbraw/zinc/19/19/87/200191987.db2.gz FHRCAWHCROMCAG-DZGCQCFKSA-N 2 2 307.401 3.383 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000188091671 200192079 /nfs/dbraw/zinc/19/20/79/200192079.db2.gz FHRCAWHCROMCAG-ZFWWWQNUSA-N 2 2 307.401 3.383 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424296 432086168 /nfs/dbraw/zinc/08/61/68/432086168.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424296 432086170 /nfs/dbraw/zinc/08/61/70/432086170.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424296 432086172 /nfs/dbraw/zinc/08/61/72/432086172.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424296 432086174 /nfs/dbraw/zinc/08/61/74/432086174.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 2 318.490 3.063 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)c2)c[nH+]1 ZINC000430119580 238067736 /nfs/dbraw/zinc/06/77/36/238067736.db2.gz DOQSINULDFKFSW-OAHLLOKOSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOC[C@H](C4CCC4)C3)c2)c[nH+]1 ZINC000430119580 238067737 /nfs/dbraw/zinc/06/77/37/238067737.db2.gz DOQSINULDFKFSW-OAHLLOKOSA-N 2 2 317.458 3.182 10 0 DGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470377 212353874 /nfs/dbraw/zinc/35/38/74/212353874.db2.gz HQFKMVYRBSYRHS-TYZWSJGGSA-N 2 2 315.392 3.082 10 0 DGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000181060460 432111751 /nfs/dbraw/zinc/11/17/51/432111751.db2.gz FWSXEQVAIGDEDB-UHFFFAOYSA-N 2 2 314.364 3.199 10 0 DGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000181060460 432111756 /nfs/dbraw/zinc/11/17/56/432111756.db2.gz FWSXEQVAIGDEDB-UHFFFAOYSA-N 2 2 314.364 3.199 10 0 DGAELP Cc1nocc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000293101454 223396923 /nfs/dbraw/zinc/39/69/23/223396923.db2.gz XTMFNNLIDHFVML-SFHVURJKSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1nocc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000293101454 223396924 /nfs/dbraw/zinc/39/69/24/223396924.db2.gz XTMFNNLIDHFVML-SFHVURJKSA-N 2 2 313.445 3.375 10 0 DGAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093604636 193272988 /nfs/dbraw/zinc/27/29/88/193272988.db2.gz MOMUTFOSFHJKTH-OAHLLOKOSA-N 2 2 307.507 3.259 10 0 DGAELP CC(C)Cc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000093604636 193272990 /nfs/dbraw/zinc/27/29/90/193272990.db2.gz MOMUTFOSFHJKTH-OAHLLOKOSA-N 2 2 307.507 3.259 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246462919 432133771 /nfs/dbraw/zinc/13/37/71/432133771.db2.gz PXTZHMFLHBVSMY-LZQZEXGQSA-N 2 2 322.468 3.092 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246462919 432133775 /nfs/dbraw/zinc/13/37/75/432133775.db2.gz PXTZHMFLHBVSMY-LZQZEXGQSA-N 2 2 322.468 3.092 10 0 DGAELP CC1CC[NH+](CC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493929836 246097329 /nfs/dbraw/zinc/09/73/29/246097329.db2.gz ZXGKQYVXYATFLX-UHFFFAOYSA-N 2 2 302.462 3.056 10 0 DGAELP C[NH+](C)CCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037213729 182873057 /nfs/dbraw/zinc/87/30/57/182873057.db2.gz RERIJYKBGALWRI-ZDUSSCGKSA-N 2 2 303.233 3.358 10 0 DGAELP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153166173 284659961 /nfs/dbraw/zinc/65/99/61/284659961.db2.gz MWDLPEFCCKIIPB-ZBFHGGJFSA-N 2 2 316.445 3.360 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634451 432150336 /nfs/dbraw/zinc/15/03/36/432150336.db2.gz HWQHOLFAPXEKBC-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634451 432150343 /nfs/dbraw/zinc/15/03/43/432150343.db2.gz HWQHOLFAPXEKBC-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634451 432150345 /nfs/dbraw/zinc/15/03/45/432150345.db2.gz HWQHOLFAPXEKBC-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634451 432150351 /nfs/dbraw/zinc/15/03/51/432150351.db2.gz HWQHOLFAPXEKBC-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042743140 183304832 /nfs/dbraw/zinc/30/48/32/183304832.db2.gz CNYWSDWKJKGSRT-YGRLFVJLSA-N 2 2 305.249 3.350 10 0 DGAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042743140 183304834 /nfs/dbraw/zinc/30/48/34/183304834.db2.gz CNYWSDWKJKGSRT-YGRLFVJLSA-N 2 2 305.249 3.350 10 0 DGAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1sccc1Br ZINC000062803192 184253569 /nfs/dbraw/zinc/25/35/69/184253569.db2.gz MJTXHYTXGWWJHB-SECBINFHSA-N 2 2 314.252 3.035 10 0 DGAELP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000119698131 195019427 /nfs/dbraw/zinc/01/94/27/195019427.db2.gz KHYAUSIJHWSIII-OALUTQOASA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000119698131 195019430 /nfs/dbraw/zinc/01/94/30/195019430.db2.gz KHYAUSIJHWSIII-OALUTQOASA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119668392 195012984 /nfs/dbraw/zinc/01/29/84/195012984.db2.gz CAMAEQXVWAHNTH-UHOSZYNNSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119668392 195012986 /nfs/dbraw/zinc/01/29/86/195012986.db2.gz CAMAEQXVWAHNTH-UHOSZYNNSA-N 2 2 302.462 3.056 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000119720996 195025778 /nfs/dbraw/zinc/02/57/78/195025778.db2.gz VPASNADQHPIRFG-HNNXBMFYSA-N 2 2 313.405 3.018 10 0 DGAELP C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000157923730 197227392 /nfs/dbraw/zinc/22/73/92/197227392.db2.gz DZIWNPVXZJOXFV-JKSUJKDBSA-N 2 2 309.417 3.198 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000154538197 533418651 /nfs/dbraw/zinc/41/86/51/533418651.db2.gz ZJUGVBHHVDJJPI-ZJUUUORDSA-N 2 2 303.269 3.255 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)s1 ZINC000154538197 533418660 /nfs/dbraw/zinc/41/86/60/533418660.db2.gz ZJUGVBHHVDJJPI-ZJUUUORDSA-N 2 2 303.269 3.255 10 0 DGAELP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccsc1Br ZINC000388971596 400267918 /nfs/dbraw/zinc/26/79/18/400267918.db2.gz KEGGBAWSDJDOIU-UHFFFAOYSA-N 2 2 305.285 3.188 10 0 DGAELP C[C@H]1C[C@H]([NH2+]Cc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428540 400295591 /nfs/dbraw/zinc/29/55/91/400295591.db2.gz GFCKRWUEIBKBKE-GOEBONIOSA-N 2 2 301.459 3.286 10 0 DGAELP C[C@H]1C[C@H]([NH2+]Cc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000404428540 400295595 /nfs/dbraw/zinc/29/55/95/400295595.db2.gz GFCKRWUEIBKBKE-GOEBONIOSA-N 2 2 301.459 3.286 10 0 DGAELP COC(=O)C(C)(C)[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000611404837 400394670 /nfs/dbraw/zinc/39/46/70/400394670.db2.gz RVOJIQJCIHIXPN-QGZVFWFLSA-N 2 2 318.461 3.002 10 0 DGAELP c1cn(-c2ccc3c(c2)CC2(CC[NH+](C4CCC4)CC2)O3)c[nH+]1 ZINC000114730838 400388726 /nfs/dbraw/zinc/38/87/26/400388726.db2.gz RYNFWHSXURPNTG-UHFFFAOYSA-N 2 2 309.413 3.194 10 0 DGAELP CC(C)Oc1cc(C[NH+]2CCC([NH3+])CC2)cc(OC(C)C)c1 ZINC000116993989 400414250 /nfs/dbraw/zinc/41/42/50/400414250.db2.gz FNDZQTXBVKWIGL-UHFFFAOYSA-N 2 2 306.450 3.184 10 0 DGAELP c1[nH]c(CN2CC[NH2+]Cc3cc(-c4ccccc4)ccc32)c[nH+]1 ZINC000039004130 400397418 /nfs/dbraw/zinc/39/74/18/400397418.db2.gz BSFGONOQGHCRGP-UHFFFAOYSA-N 2 2 304.397 3.187 10 0 DGAELP c1[nH]cc(CN2CC[NH2+]Cc3cc(-c4ccccc4)ccc32)[nH+]1 ZINC000039004130 400397422 /nfs/dbraw/zinc/39/74/22/400397422.db2.gz BSFGONOQGHCRGP-UHFFFAOYSA-N 2 2 304.397 3.187 10 0 DGAELP Cc1nc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cs1 ZINC000608072282 401180732 /nfs/dbraw/zinc/18/07/32/401180732.db2.gz KTVXBZFJIHJHMZ-MRXNPFEDSA-N 2 2 312.442 3.259 10 0 DGAELP Cn1cc[nH+]c1C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000608094077 401186806 /nfs/dbraw/zinc/18/68/06/401186806.db2.gz BBDGWQKCJJSLGY-HNNXBMFYSA-N 2 2 318.384 3.087 10 0 DGAELP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000628264436 401563575 /nfs/dbraw/zinc/56/35/75/401563575.db2.gz NTCVSZGZZRAVMM-SFHVURJKSA-N 2 2 313.445 3.373 10 0 DGAELP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000628264436 401563579 /nfs/dbraw/zinc/56/35/79/401563579.db2.gz NTCVSZGZZRAVMM-SFHVURJKSA-N 2 2 313.445 3.373 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631885901 401564052 /nfs/dbraw/zinc/56/40/52/401564052.db2.gz CLCVEJYMMABAMK-ZYHUDNBSSA-N 2 2 315.280 3.085 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)s1 ZINC000631885901 401564055 /nfs/dbraw/zinc/56/40/55/401564055.db2.gz CLCVEJYMMABAMK-ZYHUDNBSSA-N 2 2 315.280 3.085 10 0 DGAELP FC(F)(F)c1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)cs1 ZINC000623777853 401578628 /nfs/dbraw/zinc/57/86/28/401578628.db2.gz UGYWSGMROJZSDA-UHFFFAOYSA-N 2 2 301.337 3.199 10 0 DGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702868 165100802 /nfs/dbraw/zinc/10/08/02/165100802.db2.gz WKDFFPDJSZCOHX-VQIMIIECSA-N 2 2 312.461 3.125 10 0 DGAELP C[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702868 165100803 /nfs/dbraw/zinc/10/08/03/165100803.db2.gz WKDFFPDJSZCOHX-VQIMIIECSA-N 2 2 312.461 3.125 10 0 DGAELP Cc1c[nH+]ccc1NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192498874 165295330 /nfs/dbraw/zinc/29/53/30/165295330.db2.gz UAUJNHTYRDNPGF-GJZGRUSLSA-N 2 2 312.417 3.011 10 0 DGAELP c1ccc(OCCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645467 432153899 /nfs/dbraw/zinc/15/38/99/432153899.db2.gz MJSNVUOQDAALNP-QGZVFWFLSA-N 2 2 311.429 3.285 10 0 DGAELP c1ccc(OCCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645467 432153902 /nfs/dbraw/zinc/15/39/02/432153902.db2.gz MJSNVUOQDAALNP-QGZVFWFLSA-N 2 2 311.429 3.285 10 0 DGAELP C([C@@H]1CCC2(CCCCC2)O1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000190938127 432203484 /nfs/dbraw/zinc/20/34/84/432203484.db2.gz MDZDCJVUMBPZGC-SFHVURJKSA-N 2 2 306.494 3.429 10 0 DGAELP CC(C)c1csc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000131468640 196171718 /nfs/dbraw/zinc/17/17/18/196171718.db2.gz HKMVQTXONLVLDR-CQSZACIVSA-N 2 2 304.463 3.343 10 0 DGAELP CC(C)c1csc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000131468640 196171720 /nfs/dbraw/zinc/17/17/20/196171720.db2.gz HKMVQTXONLVLDR-CQSZACIVSA-N 2 2 304.463 3.343 10 0 DGAELP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000131466601 196171827 /nfs/dbraw/zinc/17/18/27/196171827.db2.gz HVPICAIXJYCLQV-GHMZBOCLSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000131466601 196171829 /nfs/dbraw/zinc/17/18/29/196171829.db2.gz HVPICAIXJYCLQV-GHMZBOCLSA-N 2 2 303.233 3.041 10 0 DGAELP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)no1 ZINC000302179345 230144603 /nfs/dbraw/zinc/14/46/03/230144603.db2.gz YQOMWXUKPGRAML-UHFFFAOYSA-N 2 2 322.412 3.162 10 0 DGAELP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151271728 432234695 /nfs/dbraw/zinc/23/46/95/432234695.db2.gz IUWVPHGKAURIBR-HOTGVXAUSA-N 2 2 316.445 3.239 10 0 DGAELP c1csc(-c2ncc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)s2)c1 ZINC000368687552 271193424 /nfs/dbraw/zinc/19/34/24/271193424.db2.gz LBASQNYOCYWROD-JTQLQIEISA-N 2 2 316.455 3.242 10 0 DGAELP c1csc(-c2ncc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)s2)c1 ZINC000368687552 271193429 /nfs/dbraw/zinc/19/34/29/271193429.db2.gz LBASQNYOCYWROD-JTQLQIEISA-N 2 2 316.455 3.242 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000151485211 432250883 /nfs/dbraw/zinc/25/08/83/432250883.db2.gz LPQSIQPCLRIIIB-GFCCVEGCSA-N 2 2 314.339 3.396 10 0 DGAELP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151504273 432252041 /nfs/dbraw/zinc/25/20/41/432252041.db2.gz ZGUASCFKRBOLGJ-OAHLLOKOSA-N 2 2 322.412 3.435 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000247880327 432252670 /nfs/dbraw/zinc/25/26/70/432252670.db2.gz BOXFTPHMXQWYPQ-JTDSTZFVSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000247880327 432252675 /nfs/dbraw/zinc/25/26/75/432252675.db2.gz BOXFTPHMXQWYPQ-JTDSTZFVSA-N 2 2 310.445 3.038 10 0 DGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423571517 273473078 /nfs/dbraw/zinc/47/30/78/273473078.db2.gz XQNGHLANPLEKGY-MWLCHTKSSA-N 2 2 315.280 3.230 10 0 DGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423553643 273475735 /nfs/dbraw/zinc/47/57/35/273475735.db2.gz KOXHZBHFDBIEDF-ABAIWWIYSA-N 2 2 309.251 3.168 10 0 DGAELP C[C@]1(CNc2[nH+]cnc3[nH]ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000489949378 429268869 /nfs/dbraw/zinc/26/88/69/429268869.db2.gz UGYDCBDLEJPQBK-LJQANCHMSA-N 2 2 321.428 3.425 10 0 DGAELP C[C@]1(CNc2[nH+]cnc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000489949378 429268871 /nfs/dbraw/zinc/26/88/71/429268871.db2.gz UGYDCBDLEJPQBK-LJQANCHMSA-N 2 2 321.428 3.425 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000101907595 276355214 /nfs/dbraw/zinc/35/52/14/276355214.db2.gz LCIPZGWXFNMUMY-WMZOPIPTSA-N 2 2 312.461 3.078 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000101907595 276355217 /nfs/dbraw/zinc/35/52/17/276355217.db2.gz LCIPZGWXFNMUMY-WMZOPIPTSA-N 2 2 312.461 3.078 10 0 DGAELP C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2ccccc12 ZINC000013559823 431556016 /nfs/dbraw/zinc/55/60/16/431556016.db2.gz WPECHTREAJBIKW-UHFFFAOYSA-N 2 2 307.397 3.424 10 0 DGAELP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079489284 431726473 /nfs/dbraw/zinc/72/64/73/431726473.db2.gz GHWSDVPEYGFVQG-GJZGRUSLSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079489284 431726478 /nfs/dbraw/zinc/72/64/78/431726478.db2.gz GHWSDVPEYGFVQG-GJZGRUSLSA-N 2 2 306.425 3.072 10 0 DGAELP CC[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122859077 431847119 /nfs/dbraw/zinc/84/71/19/431847119.db2.gz BZKUBSFLLSUNSU-RISCZKNCSA-N 2 2 317.260 3.431 10 0 DGAELP CC[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122859077 431847120 /nfs/dbraw/zinc/84/71/20/431847120.db2.gz BZKUBSFLLSUNSU-RISCZKNCSA-N 2 2 317.260 3.431 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129688 431860135 /nfs/dbraw/zinc/86/01/35/431860135.db2.gz YSTRKTFBCOPCEM-DOMZBBRYSA-N 2 2 324.490 3.005 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129688 431860136 /nfs/dbraw/zinc/86/01/36/431860136.db2.gz YSTRKTFBCOPCEM-DOMZBBRYSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129688 431860139 /nfs/dbraw/zinc/86/01/39/431860139.db2.gz YSTRKTFBCOPCEM-DOMZBBRYSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129688 431860140 /nfs/dbraw/zinc/86/01/40/431860140.db2.gz YSTRKTFBCOPCEM-DOMZBBRYSA-N 2 2 324.490 3.005 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123318353 431861855 /nfs/dbraw/zinc/86/18/55/431861855.db2.gz BYELZIVVEDMYKO-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123318353 431861858 /nfs/dbraw/zinc/86/18/58/431861858.db2.gz BYELZIVVEDMYKO-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123318353 431861861 /nfs/dbraw/zinc/86/18/61/431861861.db2.gz BYELZIVVEDMYKO-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123318353 431861862 /nfs/dbraw/zinc/86/18/62/431861862.db2.gz BYELZIVVEDMYKO-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000123410655 431863776 /nfs/dbraw/zinc/86/37/76/431863776.db2.gz NHQDVAIVSLTMGC-SFHVURJKSA-N 2 2 312.461 3.097 10 0 DGAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000123410655 431863779 /nfs/dbraw/zinc/86/37/79/431863779.db2.gz NHQDVAIVSLTMGC-SFHVURJKSA-N 2 2 312.461 3.097 10 0 DGAELP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561312 431910037 /nfs/dbraw/zinc/91/00/37/431910037.db2.gz JTPWDOWSHWEAIH-GTPINHCMSA-N 2 2 324.509 3.351 10 0 DGAELP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561312 431910039 /nfs/dbraw/zinc/91/00/39/431910039.db2.gz JTPWDOWSHWEAIH-GTPINHCMSA-N 2 2 324.509 3.351 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000123972987 431879673 /nfs/dbraw/zinc/87/96/73/431879673.db2.gz NSQFSBGYCUUIKC-UHFFFAOYSA-N 2 2 316.367 3.154 10 0 DGAELP Fc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000151725877 432270006 /nfs/dbraw/zinc/27/00/06/432270006.db2.gz SWHQWNNFUFRCHV-AWEZNQCLSA-N 2 2 317.408 3.275 10 0 DGAELP Fc1ccc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000151725877 432270009 /nfs/dbraw/zinc/27/00/09/432270009.db2.gz SWHQWNNFUFRCHV-AWEZNQCLSA-N 2 2 317.408 3.275 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000183142115 432262572 /nfs/dbraw/zinc/26/25/72/432262572.db2.gz IBLHWMYEKBOUCA-GFCCVEGCSA-N 2 2 323.400 3.292 10 0 DGAELP Cc1cccc(NC[C@@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)[nH+]1 ZINC000270602703 432264633 /nfs/dbraw/zinc/26/46/33/432264633.db2.gz WEPDKAOWALIVJQ-AWEZNQCLSA-N 2 2 307.401 3.205 10 0 DGAELP O[C@H](C[NH2+]C1c2ccccc2-c2ccccc21)C[NH+]1CCCCC1 ZINC000183714117 432319492 /nfs/dbraw/zinc/31/94/92/432319492.db2.gz QWXUDODNRBHSTE-MRXNPFEDSA-N 2 2 322.452 3.193 10 0 DGAELP C=Cn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000248880376 432326105 /nfs/dbraw/zinc/32/61/05/432326105.db2.gz KPEGRTYNJVIUFG-SJORKVTESA-N 2 2 302.466 3.070 10 0 DGAELP C=Cn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000248880376 432326115 /nfs/dbraw/zinc/32/61/15/432326115.db2.gz KPEGRTYNJVIUFG-SJORKVTESA-N 2 2 302.466 3.070 10 0 DGAELP C=Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000248880376 432326120 /nfs/dbraw/zinc/32/61/20/432326120.db2.gz KPEGRTYNJVIUFG-SJORKVTESA-N 2 2 302.466 3.070 10 0 DGAELP C=Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000248880376 432326124 /nfs/dbraw/zinc/32/61/24/432326124.db2.gz KPEGRTYNJVIUFG-SJORKVTESA-N 2 2 302.466 3.070 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000183589254 432306942 /nfs/dbraw/zinc/30/69/42/432306942.db2.gz MQNRHYGNJGWRTP-NSHDSACASA-N 2 2 321.412 3.244 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000183589254 432306945 /nfs/dbraw/zinc/30/69/45/432306945.db2.gz MQNRHYGNJGWRTP-NSHDSACASA-N 2 2 321.412 3.244 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000183589254 432306951 /nfs/dbraw/zinc/30/69/51/432306951.db2.gz MQNRHYGNJGWRTP-NSHDSACASA-N 2 2 321.412 3.244 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000183589254 432306955 /nfs/dbraw/zinc/30/69/55/432306955.db2.gz MQNRHYGNJGWRTP-NSHDSACASA-N 2 2 321.412 3.244 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248742291 432315615 /nfs/dbraw/zinc/31/56/15/432315615.db2.gz RHYZNMRZJJXFCL-UWVAXJGDSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248742291 432315621 /nfs/dbraw/zinc/31/56/21/432315621.db2.gz RHYZNMRZJJXFCL-UWVAXJGDSA-N 2 2 324.472 3.346 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000153415099 432406862 /nfs/dbraw/zinc/40/68/62/432406862.db2.gz WVIKURNPRVLDNO-DZKIICNBSA-N 2 2 316.474 3.099 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000153415099 432406864 /nfs/dbraw/zinc/40/68/64/432406864.db2.gz WVIKURNPRVLDNO-DZKIICNBSA-N 2 2 316.474 3.099 10 0 DGAELP C[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193115883 432450036 /nfs/dbraw/zinc/45/00/36/432450036.db2.gz QHSNRUFDXJDSDT-QAPCUYQASA-N 2 2 315.417 3.066 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832056 432454826 /nfs/dbraw/zinc/45/48/26/432454826.db2.gz BUHSMVIEOWCLLQ-GXTWGEPZSA-N 2 2 303.381 3.040 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832056 432454829 /nfs/dbraw/zinc/45/48/29/432454829.db2.gz BUHSMVIEOWCLLQ-GXTWGEPZSA-N 2 2 303.381 3.040 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184601842 432411577 /nfs/dbraw/zinc/41/15/77/432411577.db2.gz VLHRZEUUIZBMAC-NSHDSACASA-N 2 2 310.656 3.416 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(Cl)(Cl)Cl ZINC000184601842 432411579 /nfs/dbraw/zinc/41/15/79/432411579.db2.gz VLHRZEUUIZBMAC-NSHDSACASA-N 2 2 310.656 3.416 10 0 DGAELP Cc1cc(Br)c2c(c1)C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261880820 432458793 /nfs/dbraw/zinc/45/87/93/432458793.db2.gz QXSFFMRCEPQDSH-MRXNPFEDSA-N 2 2 323.278 3.115 10 0 DGAELP Cc1cc(Br)c2c(c1)C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261880820 432458795 /nfs/dbraw/zinc/45/87/95/432458795.db2.gz QXSFFMRCEPQDSH-MRXNPFEDSA-N 2 2 323.278 3.115 10 0 DGAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@@H](C)c1cc2ccccc2o1 ZINC000262240675 432478390 /nfs/dbraw/zinc/47/83/90/432478390.db2.gz PDMYIZMBHYMKGX-LBPRGKRZSA-N 2 2 314.389 3.248 10 0 DGAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@@H](C)c1cc2ccccc2o1 ZINC000262240675 432478394 /nfs/dbraw/zinc/47/83/94/432478394.db2.gz PDMYIZMBHYMKGX-LBPRGKRZSA-N 2 2 314.389 3.248 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606626 432485236 /nfs/dbraw/zinc/48/52/36/432485236.db2.gz JVMBIIMITYZCDV-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606626 432485238 /nfs/dbraw/zinc/48/52/38/432485238.db2.gz JVMBIIMITYZCDV-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@H](c1cccc(Br)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193606626 432485241 /nfs/dbraw/zinc/48/52/41/432485241.db2.gz JVMBIIMITYZCDV-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@H](c1cccc(Br)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193606626 432485243 /nfs/dbraw/zinc/48/52/43/432485243.db2.gz JVMBIIMITYZCDV-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635314 432510597 /nfs/dbraw/zinc/51/05/97/432510597.db2.gz YRDAVNBTDGVMAN-PWSUYJOCSA-N 2 2 302.340 3.172 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000176379187 432515842 /nfs/dbraw/zinc/51/58/42/432515842.db2.gz BZQXBNJFVKQVID-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)sc1C ZINC000176379187 432515846 /nfs/dbraw/zinc/51/58/46/432515846.db2.gz BZQXBNJFVKQVID-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1ccc2c(CC[NH2+]Cc3cccc4[nH+]ccn43)cn(C)c2c1 ZINC000186544612 432606377 /nfs/dbraw/zinc/60/63/77/432606377.db2.gz UCMOIPBTFIVSJY-UHFFFAOYSA-N 2 2 318.424 3.467 10 0 DGAELP C[C@H](C[NH2+][C@H](C)c1cccc2ccccc21)C[NH+]1CCOCC1 ZINC000177357663 432615685 /nfs/dbraw/zinc/61/56/85/432615685.db2.gz LPQITOQCYGDMPV-IAGOWNOFSA-N 2 2 312.457 3.459 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000158534664 432649859 /nfs/dbraw/zinc/64/98/59/432649859.db2.gz QDFQZRGXPFNSOK-KGLIPLIRSA-N 2 2 307.507 3.357 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000158534664 432649862 /nfs/dbraw/zinc/64/98/62/432649862.db2.gz QDFQZRGXPFNSOK-KGLIPLIRSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000158534664 432649865 /nfs/dbraw/zinc/64/98/65/432649865.db2.gz QDFQZRGXPFNSOK-KGLIPLIRSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000158534664 432649869 /nfs/dbraw/zinc/64/98/69/432649869.db2.gz QDFQZRGXPFNSOK-KGLIPLIRSA-N 2 2 307.507 3.357 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000178288121 432717456 /nfs/dbraw/zinc/71/74/56/432717456.db2.gz ASZXDNYKUAEVCR-GOSISDBHSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000178288121 432717459 /nfs/dbraw/zinc/71/74/59/432717459.db2.gz ASZXDNYKUAEVCR-GOSISDBHSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316756 432719722 /nfs/dbraw/zinc/71/97/22/432719722.db2.gz GWVCFBABZXQVJJ-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316756 432719726 /nfs/dbraw/zinc/71/97/26/432719726.db2.gz GWVCFBABZXQVJJ-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP CC[NH2+]Cc1ccccc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000178437153 432737024 /nfs/dbraw/zinc/73/70/24/432737024.db2.gz SARIVPHUIAUTCR-UHFFFAOYSA-N 2 2 322.412 3.093 10 0 DGAELP CCc1cc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc(C)[nH+]1 ZINC000275726718 432744601 /nfs/dbraw/zinc/74/46/01/432744601.db2.gz UJKAHTVYMKOWIF-MRXNPFEDSA-N 2 2 311.433 3.291 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749981 432861080 /nfs/dbraw/zinc/86/10/80/432861080.db2.gz NQIVXNAKJRLAHZ-ZBEGNZNMSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749981 432861082 /nfs/dbraw/zinc/86/10/82/432861082.db2.gz NQIVXNAKJRLAHZ-ZBEGNZNMSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749981 432861084 /nfs/dbraw/zinc/86/10/84/432861084.db2.gz NQIVXNAKJRLAHZ-ZBEGNZNMSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749981 432861085 /nfs/dbraw/zinc/86/10/85/432861085.db2.gz NQIVXNAKJRLAHZ-ZBEGNZNMSA-N 2 2 300.368 3.266 10 0 DGAELP c1sc(C2CC2)nc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000163460680 432853221 /nfs/dbraw/zinc/85/32/21/432853221.db2.gz QFMAYUBADWTZTJ-CYBMUJFWSA-N 2 2 314.458 3.350 10 0 DGAELP c1sc(C2CC2)nc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000163460680 432853223 /nfs/dbraw/zinc/85/32/23/432853223.db2.gz QFMAYUBADWTZTJ-CYBMUJFWSA-N 2 2 314.458 3.350 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000341410987 433052215 /nfs/dbraw/zinc/05/22/15/433052215.db2.gz VTRIBYHTPFHVNY-BRWVUGGUSA-N 2 2 303.450 3.069 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000446977788 433139026 /nfs/dbraw/zinc/13/90/26/433139026.db2.gz RQABJHNDYFQFTR-CRAIPNDOSA-N 2 2 302.462 3.233 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000446977788 433139036 /nfs/dbraw/zinc/13/90/36/433139036.db2.gz RQABJHNDYFQFTR-CRAIPNDOSA-N 2 2 302.462 3.233 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883263 433418332 /nfs/dbraw/zinc/41/83/32/433418332.db2.gz ALZLCFAPBSDKHQ-KRWDZBQOSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883263 433418343 /nfs/dbraw/zinc/41/83/43/433418343.db2.gz ALZLCFAPBSDKHQ-KRWDZBQOSA-N 2 2 310.445 3.037 10 0 DGAELP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC34CCSCC4)cc2)c[nH+]1 ZINC000421347592 433488491 /nfs/dbraw/zinc/48/84/91/433488491.db2.gz FTLXIYMTMWQJPN-INIZCTEOSA-N 2 2 313.470 3.495 10 0 DGAELP c1cn(Cc2ccccc2)c(CNc2cc3c(c[nH+]2)CCC3)[nH+]1 ZINC000339554550 433651756 /nfs/dbraw/zinc/65/17/56/433651756.db2.gz LNYAGNWSGXOJLQ-UHFFFAOYSA-N 2 2 304.397 3.427 10 0 DGAELP Brc1cscc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370204429 293162934 /nfs/dbraw/zinc/16/29/34/293162934.db2.gz PZVOMOUQVQZNRA-NEPJUHHUSA-N 2 2 315.280 3.227 10 0 DGAELP Brc1cscc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370204429 293162937 /nfs/dbraw/zinc/16/29/37/293162937.db2.gz PZVOMOUQVQZNRA-NEPJUHHUSA-N 2 2 315.280 3.227 10 0 DGAELP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000436278900 433926878 /nfs/dbraw/zinc/92/68/78/433926878.db2.gz GTCIULZDAZYPKO-HNBVOPMISA-N 2 2 316.489 3.412 10 0 DGAELP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CCSC1 ZINC000436288666 433928433 /nfs/dbraw/zinc/92/84/33/433928433.db2.gz GKCRZGCRCOSNOF-KSZLIROESA-N 2 2 304.503 3.350 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340356605 434083008 /nfs/dbraw/zinc/08/30/08/434083008.db2.gz QMPISCYQHQLHND-HKUYNNGSSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340356605 434083018 /nfs/dbraw/zinc/08/30/18/434083018.db2.gz QMPISCYQHQLHND-HKUYNNGSSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H](c1cc(Br)cs1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310266469 434107773 /nfs/dbraw/zinc/10/77/73/434107773.db2.gz HICJIAMPWKQUDN-GIPNMCIBSA-N 2 2 317.296 3.488 10 0 DGAELP C[C@H](c1cc(Br)cs1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310266469 434107783 /nfs/dbraw/zinc/10/77/83/434107783.db2.gz HICJIAMPWKQUDN-GIPNMCIBSA-N 2 2 317.296 3.488 10 0 DGAELP c1csc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084178 434158989 /nfs/dbraw/zinc/15/89/89/434158989.db2.gz KVRYVZJCRBGTGE-DZGCQCFKSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084178 434159001 /nfs/dbraw/zinc/15/90/01/434159001.db2.gz KVRYVZJCRBGTGE-DZGCQCFKSA-N 2 2 317.458 3.367 10 0 DGAELP Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357793585 434185209 /nfs/dbraw/zinc/18/52/09/434185209.db2.gz LQXHVIMIHHZPSK-INIZCTEOSA-N 2 2 306.413 3.486 10 0 DGAELP c1coc([C@@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346202645 434198478 /nfs/dbraw/zinc/19/84/78/434198478.db2.gz OAIBOSQUTNNCHG-INIZCTEOSA-N 2 2 315.398 3.100 10 0 DGAELP c1coc([C@@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346202645 434198487 /nfs/dbraw/zinc/19/84/87/434198487.db2.gz OAIBOSQUTNNCHG-INIZCTEOSA-N 2 2 315.398 3.100 10 0 DGAELP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000379647188 434258149 /nfs/dbraw/zinc/25/81/49/434258149.db2.gz KDWAFSKEZFCTBU-OALUTQOASA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000379647188 434258155 /nfs/dbraw/zinc/25/81/55/434258155.db2.gz KDWAFSKEZFCTBU-OALUTQOASA-N 2 2 304.478 3.302 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000379651957 434260721 /nfs/dbraw/zinc/26/07/21/434260721.db2.gz VMYSWFLREZQJLO-ZWKOTPCHSA-N 2 2 304.503 3.384 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000379651957 434260727 /nfs/dbraw/zinc/26/07/27/434260727.db2.gz VMYSWFLREZQJLO-ZWKOTPCHSA-N 2 2 304.503 3.384 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000295137488 434224754 /nfs/dbraw/zinc/22/47/54/434224754.db2.gz ZIDYCHNNZCRTGH-HKUYNNGSSA-N 2 2 309.457 3.185 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295137488 434224769 /nfs/dbraw/zinc/22/47/69/434224769.db2.gz ZIDYCHNNZCRTGH-HKUYNNGSSA-N 2 2 309.457 3.185 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358164157 434360243 /nfs/dbraw/zinc/36/02/43/434360243.db2.gz NFFGEAJISQBWME-UHFFFAOYSA-N 2 2 310.445 3.127 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358164157 434360253 /nfs/dbraw/zinc/36/02/53/434360253.db2.gz NFFGEAJISQBWME-UHFFFAOYSA-N 2 2 310.445 3.127 10 0 DGAELP c1cc([C@@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n[nH]1 ZINC000348712724 434456364 /nfs/dbraw/zinc/45/63/64/434456364.db2.gz JKGZEUGJRNIFCM-INIZCTEOSA-N 2 2 313.430 3.384 10 0 DGAELP c1cc([C@@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n[nH]1 ZINC000348712724 434456372 /nfs/dbraw/zinc/45/63/72/434456372.db2.gz JKGZEUGJRNIFCM-INIZCTEOSA-N 2 2 313.430 3.384 10 0 DGAELP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000459373064 434567749 /nfs/dbraw/zinc/56/77/49/434567749.db2.gz MFIUPUHANUDNKS-UHFFFAOYSA-N 2 2 301.821 3.405 10 0 DGAELP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000459373064 434567755 /nfs/dbraw/zinc/56/77/55/434567755.db2.gz MFIUPUHANUDNKS-UHFFFAOYSA-N 2 2 301.821 3.405 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000471824814 435138843 /nfs/dbraw/zinc/13/88/43/435138843.db2.gz UPGZMWXNUKBWGH-XGXHKWSGSA-N 2 2 302.462 3.054 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000471824814 435138847 /nfs/dbraw/zinc/13/88/47/435138847.db2.gz UPGZMWXNUKBWGH-XGXHKWSGSA-N 2 2 302.462 3.054 10 0 DGAELP c1csc([C@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000520795562 435773128 /nfs/dbraw/zinc/77/31/28/435773128.db2.gz JBLDQRNGKXOHPI-YOEHRIQHSA-N 2 2 324.453 3.297 10 0 DGAELP c1csc([C@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000520795562 435773136 /nfs/dbraw/zinc/77/31/36/435773136.db2.gz JBLDQRNGKXOHPI-YOEHRIQHSA-N 2 2 324.453 3.297 10 0 DGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(Br)c2)n1C ZINC000657298930 436122384 /nfs/dbraw/zinc/12/23/84/436122384.db2.gz QIKWGEFYXXHQFC-JTQLQIEISA-N 2 2 308.223 3.342 10 0 DGAELP c1cc(CCC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc2c1OCC2 ZINC000529669328 313251207 /nfs/dbraw/zinc/25/12/07/313251207.db2.gz LRWZAORZLISPLW-LJQANCHMSA-N 2 2 314.473 3.161 10 0 DGAELP c1cc(CCC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc2c1OCC2 ZINC000529669328 313251212 /nfs/dbraw/zinc/25/12/12/313251212.db2.gz LRWZAORZLISPLW-LJQANCHMSA-N 2 2 314.473 3.161 10 0 DGAELP c1ccc([C@H]2C[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000537227984 313803441 /nfs/dbraw/zinc/80/34/41/313803441.db2.gz AVFKWNPBMLAAOS-PKOBYXMFSA-N 2 2 307.441 3.444 10 0 DGAELP c1ccc(OCCCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562836892 315056282 /nfs/dbraw/zinc/05/62/82/315056282.db2.gz BODIDVWJEKDGIF-MOPGFXCFSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562836892 315056285 /nfs/dbraw/zinc/05/62/85/315056285.db2.gz BODIDVWJEKDGIF-MOPGFXCFSA-N 2 2 302.462 3.452 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180424574 323229470 /nfs/dbraw/zinc/22/94/70/323229470.db2.gz HDLXIQXGOPXOAA-QAPCUYQASA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000180424574 323229471 /nfs/dbraw/zinc/22/94/71/323229471.db2.gz HDLXIQXGOPXOAA-QAPCUYQASA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424574 323229474 /nfs/dbraw/zinc/22/94/74/323229474.db2.gz HDLXIQXGOPXOAA-QAPCUYQASA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424574 323229478 /nfs/dbraw/zinc/22/94/78/323229478.db2.gz HDLXIQXGOPXOAA-QAPCUYQASA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738682 323394366 /nfs/dbraw/zinc/39/43/66/323394366.db2.gz KUGXNNNCGDUTOR-KBPBESRZSA-N 2 2 318.490 3.138 10 0 DGAELP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738682 323394369 /nfs/dbraw/zinc/39/43/69/323394369.db2.gz KUGXNNNCGDUTOR-KBPBESRZSA-N 2 2 318.490 3.138 10 0 DGAELP c1cn(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000583262551 324332698 /nfs/dbraw/zinc/33/26/98/324332698.db2.gz LBODJDFXFBMWCN-LJQANCHMSA-N 3 2 324.472 3.060 10 0 DGAELP c1cn(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000583262551 324332704 /nfs/dbraw/zinc/33/27/04/324332704.db2.gz LBODJDFXFBMWCN-LJQANCHMSA-N 3 2 324.472 3.060 10 0 DGAELP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000583262550 324332749 /nfs/dbraw/zinc/33/27/49/324332749.db2.gz LBODJDFXFBMWCN-IBGZPJMESA-N 3 2 324.472 3.060 10 0 DGAELP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c[nH+]1 ZINC000583262550 324332753 /nfs/dbraw/zinc/33/27/53/324332753.db2.gz LBODJDFXFBMWCN-IBGZPJMESA-N 3 2 324.472 3.060 10 0 DGAELP CC[NH+](CC)CC1=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000584602385 337371031 /nfs/dbraw/zinc/37/10/31/337371031.db2.gz HRZPOIOCIKJJMX-IEBWSBKVSA-N 2 2 309.457 3.390 10 0 DGAELP CC[NH+](CC)CC1=C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000584602385 337371032 /nfs/dbraw/zinc/37/10/32/337371032.db2.gz HRZPOIOCIKJJMX-IEBWSBKVSA-N 2 2 309.457 3.390 10 0 DGAELP Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc[nH+]1 ZINC000302350308 533998822 /nfs/dbraw/zinc/99/88/22/533998822.db2.gz YFONOJGBDBUQEK-GJZGRUSLSA-N 2 2 312.417 3.011 10 0 DGAELP CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070456201 523822100 /nfs/dbraw/zinc/82/21/00/523822100.db2.gz OJTBKEHWAQPLAI-OAHLLOKOSA-N 2 2 310.445 3.426 10 0 DGAELP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328652248 527507001 /nfs/dbraw/zinc/50/70/01/527507001.db2.gz WGNCESWMGYPPKA-FULNVYTMSA-N 2 2 311.429 3.333 10 0 DGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234316826 546278314 /nfs/dbraw/zinc/27/83/14/546278314.db2.gz WMNNLUKGPUKKIF-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234316826 546278318 /nfs/dbraw/zinc/27/83/18/546278318.db2.gz WMNNLUKGPUKKIF-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246969058 546307506 /nfs/dbraw/zinc/30/75/06/546307506.db2.gz JHVRNMIICKLCDM-CJNGLKHVSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246969058 546307509 /nfs/dbraw/zinc/30/75/09/546307509.db2.gz JHVRNMIICKLCDM-CJNGLKHVSA-N 2 2 324.465 3.063 10 0 DGAELP CC[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000251888173 546331145 /nfs/dbraw/zinc/33/11/45/546331145.db2.gz VUMLQGKFBCNGCM-BXUZGUMPSA-N 2 2 315.230 3.147 10 0 DGAELP CC[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000251888173 546331148 /nfs/dbraw/zinc/33/11/48/546331148.db2.gz VUMLQGKFBCNGCM-BXUZGUMPSA-N 2 2 315.230 3.147 10 0 DGAELP OC[C@]1([NH2+]C2CCCCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000302908191 546439240 /nfs/dbraw/zinc/43/92/40/546439240.db2.gz CRIFFFTVJDACLK-FQEVSTJZSA-N 2 2 316.489 3.326 10 0 DGAELP OC[C@]1([NH2+]C2CCCCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000302908191 546439246 /nfs/dbraw/zinc/43/92/46/546439246.db2.gz CRIFFFTVJDACLK-FQEVSTJZSA-N 2 2 316.489 3.326 10 0 DGAELP c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298827 546469671 /nfs/dbraw/zinc/46/96/71/546469671.db2.gz MAJLKVYOCGMXSO-IAGOWNOFSA-N 2 2 311.429 3.306 10 0 DGAELP c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298827 546469676 /nfs/dbraw/zinc/46/96/76/546469676.db2.gz MAJLKVYOCGMXSO-IAGOWNOFSA-N 2 2 311.429 3.306 10 0 DGAELP c1cn(Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)c[nH+]1 ZINC000520208846 546963670 /nfs/dbraw/zinc/96/36/70/546963670.db2.gz QVUUZIXOSPWKDJ-UHFFFAOYSA-N 2 2 317.396 3.098 10 0 DGAELP c1cn(Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)c[nH+]1 ZINC000520208846 546963672 /nfs/dbraw/zinc/96/36/72/546963672.db2.gz QVUUZIXOSPWKDJ-UHFFFAOYSA-N 2 2 317.396 3.098 10 0 DGAELP CCn1ccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716699230 661227345 /nfs/dbraw/zinc/22/73/45/661227345.db2.gz LQRVPIQIJXJPIR-OTWHNJEPSA-N 2 2 324.472 3.046 10 0 DGAELP CCn1ccnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716699230 661227348 /nfs/dbraw/zinc/22/73/48/661227348.db2.gz LQRVPIQIJXJPIR-OTWHNJEPSA-N 2 2 324.472 3.046 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000157010356 658976397 /nfs/dbraw/zinc/97/63/97/658976397.db2.gz VBTQLTOFSSUHCN-MNOVXSKESA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000157010356 658976403 /nfs/dbraw/zinc/97/64/03/658976403.db2.gz VBTQLTOFSSUHCN-MNOVXSKESA-N 2 2 315.230 3.147 10 0 DGAELP CC(C)n1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cn1 ZINC000378969905 1176762508 /nfs/dbraw/zinc/76/25/08/1176762508.db2.gz ZKTZZDQFBZVEJD-UHFFFAOYSA-N 2 2 300.450 3.076 10 0 DGAELP CC(C)n1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000378969905 1176762517 /nfs/dbraw/zinc/76/25/17/1176762517.db2.gz ZKTZZDQFBZVEJD-UHFFFAOYSA-N 2 2 300.450 3.076 10 0 DGAELP CC[N@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054109859 1194755628 /nfs/dbraw/zinc/75/56/28/1194755628.db2.gz DJTYVENVXHSLKJ-ZDUSSCGKSA-N 2 2 300.393 3.150 10 0 DGAELP CC[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054109859 1194755630 /nfs/dbraw/zinc/75/56/30/1194755630.db2.gz DJTYVENVXHSLKJ-ZDUSSCGKSA-N 2 2 300.393 3.150 10 0 DGAELP CC[N@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054109860 1194755760 /nfs/dbraw/zinc/75/57/60/1194755760.db2.gz DJTYVENVXHSLKJ-CYBMUJFWSA-N 2 2 300.393 3.150 10 0 DGAELP CC[N@@H+](C)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000054109860 1194755762 /nfs/dbraw/zinc/75/57/62/1194755762.db2.gz DJTYVENVXHSLKJ-CYBMUJFWSA-N 2 2 300.393 3.150 10 0 DGAELP c1cn(CCC[NH2+]Cc2csc(-c3ccsc3)n2)c[nH+]1 ZINC000066861970 1195572042 /nfs/dbraw/zinc/57/20/42/1195572042.db2.gz VEBLYXOIRPSCBP-UHFFFAOYSA-N 2 2 304.444 3.248 10 0 DGAELP COc1ccc(OC)c(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000078847637 1196803466 /nfs/dbraw/zinc/80/34/66/1196803466.db2.gz QVJHAMMUVJTHRE-UHFFFAOYSA-N 2 2 315.417 3.081 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720866889 1096071648 /nfs/dbraw/zinc/07/16/48/1096071648.db2.gz TVOKQYZWRZOYDM-GBESFXJTSA-N 2 2 316.489 3.444 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720866889 1096071656 /nfs/dbraw/zinc/07/16/56/1096071656.db2.gz TVOKQYZWRZOYDM-GBESFXJTSA-N 2 2 316.489 3.444 10 0 DGAELP c1cn(CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)c[nH+]1 ZINC000075733848 1099639313 /nfs/dbraw/zinc/63/93/13/1099639313.db2.gz LZFJNOFFYSDRRX-UHFFFAOYSA-N 2 2 322.412 3.037 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC000178294178 282217142 /nfs/dbraw/zinc/21/71/42/282217142.db2.gz HVFKNKFZOLNWFD-OAHLLOKOSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1OC(F)F ZINC000178294178 282217143 /nfs/dbraw/zinc/21/71/43/282217143.db2.gz HVFKNKFZOLNWFD-OAHLLOKOSA-N 2 2 321.371 3.458 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000181965483 199367472 /nfs/dbraw/zinc/36/74/72/199367472.db2.gz NMRQCTDZMNJQTI-WFASDCNBSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000181965483 199367473 /nfs/dbraw/zinc/36/74/73/199367473.db2.gz NMRQCTDZMNJQTI-WFASDCNBSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181965483 199367475 /nfs/dbraw/zinc/36/74/75/199367475.db2.gz NMRQCTDZMNJQTI-WFASDCNBSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181965483 199367477 /nfs/dbraw/zinc/36/74/77/199367477.db2.gz NMRQCTDZMNJQTI-WFASDCNBSA-N 2 2 324.852 3.041 10 0 DGAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000070456197 190896535 /nfs/dbraw/zinc/89/65/35/190896535.db2.gz VDRWRQCMYUFKNT-OAHLLOKOSA-N 2 2 310.445 3.426 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000177910541 186202814 /nfs/dbraw/zinc/20/28/14/186202814.db2.gz HOUOZQIPVAMNAG-AWEZNQCLSA-N 2 2 320.396 3.053 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000179541792 199052238 /nfs/dbraw/zinc/05/22/38/199052238.db2.gz YTACPUQQGFWLMU-MRXNPFEDSA-N 2 2 309.417 3.159 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000179541792 199052239 /nfs/dbraw/zinc/05/22/39/199052239.db2.gz YTACPUQQGFWLMU-MRXNPFEDSA-N 2 2 309.417 3.159 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188116583 200195891 /nfs/dbraw/zinc/19/58/91/200195891.db2.gz JXHYDHQOVUYJIW-AYBZRNKSSA-N 2 2 324.472 3.489 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188116583 200195892 /nfs/dbraw/zinc/19/58/92/200195892.db2.gz JXHYDHQOVUYJIW-AYBZRNKSSA-N 2 2 324.472 3.489 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)c2)c[nH+]1 ZINC000430119578 238067798 /nfs/dbraw/zinc/06/77/98/238067798.db2.gz DOQSINULDFKFSW-HNNXBMFYSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOC[C@@H](C4CCC4)C3)c2)c[nH+]1 ZINC000430119578 238067799 /nfs/dbraw/zinc/06/77/99/238067799.db2.gz DOQSINULDFKFSW-HNNXBMFYSA-N 2 2 317.458 3.182 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000193719876 201110070 /nfs/dbraw/zinc/11/00/70/201110070.db2.gz KJWPFEVWMLOVBX-UHFFFAOYSA-N 2 2 303.837 3.414 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412840 201222006 /nfs/dbraw/zinc/22/20/06/201222006.db2.gz DEKLYUMNEPOZNT-OLZOCXBDSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@H+]1C ZINC000194412840 201222009 /nfs/dbraw/zinc/22/20/09/201222009.db2.gz DEKLYUMNEPOZNT-OLZOCXBDSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412840 201222013 /nfs/dbraw/zinc/22/20/13/201222013.db2.gz DEKLYUMNEPOZNT-OLZOCXBDSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412840 201222016 /nfs/dbraw/zinc/22/20/16/201222016.db2.gz DEKLYUMNEPOZNT-OLZOCXBDSA-N 2 2 305.447 3.318 10 0 DGAELP Cc1[nH+]c2c(n1[C@@H]1CCN(c3cc[nH+]c(C4CC4)n3)C1)CCCC2 ZINC000275505301 212379940 /nfs/dbraw/zinc/37/99/40/212379940.db2.gz WXXYWKFLLVHINT-OAHLLOKOSA-N 2 2 323.444 3.189 10 0 DGAELP c1cn(-c2csc(C[NH2+]CCCC3CCOCC3)c2)c[nH+]1 ZINC000449355018 240152403 /nfs/dbraw/zinc/15/24/03/240152403.db2.gz UJUJXMOWTGZPBP-UHFFFAOYSA-N 2 2 305.447 3.230 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCSC[C@H]3C3CC3)c2)c[nH+]1 ZINC000449528738 240268363 /nfs/dbraw/zinc/26/83/63/240268363.db2.gz ROYLYTQHOKCKNL-HNNXBMFYSA-N 2 2 305.472 3.261 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCSC[C@H]3C3CC3)c2)c[nH+]1 ZINC000449528738 240268365 /nfs/dbraw/zinc/26/83/65/240268365.db2.gz ROYLYTQHOKCKNL-HNNXBMFYSA-N 2 2 305.472 3.261 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246198484 432105735 /nfs/dbraw/zinc/10/57/35/432105735.db2.gz LQXMFAUTSWLWIF-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246198484 432105737 /nfs/dbraw/zinc/10/57/37/432105737.db2.gz LQXMFAUTSWLWIF-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246198484 432105740 /nfs/dbraw/zinc/10/57/40/432105740.db2.gz LQXMFAUTSWLWIF-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246198484 432105742 /nfs/dbraw/zinc/10/57/42/432105742.db2.gz LQXMFAUTSWLWIF-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP CCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000091671071 193089029 /nfs/dbraw/zinc/08/90/29/193089029.db2.gz RETXPUCHTAKGHF-UHFFFAOYSA-N 2 2 306.450 3.010 10 0 DGAELP CCCOc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1OC ZINC000091671184 193089410 /nfs/dbraw/zinc/08/94/10/193089410.db2.gz XLDTUQDGROYDTK-UHFFFAOYSA-N 2 2 306.450 3.010 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246200172 432107527 /nfs/dbraw/zinc/10/75/27/432107527.db2.gz AWRKXMZRRVCZBX-VQIMIIECSA-N 2 2 321.428 3.152 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246200172 432107530 /nfs/dbraw/zinc/10/75/30/432107530.db2.gz AWRKXMZRRVCZBX-VQIMIIECSA-N 2 2 321.428 3.152 10 0 DGAELP C[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246200166 432107928 /nfs/dbraw/zinc/10/79/28/432107928.db2.gz AWRKXMZRRVCZBX-QFBILLFUSA-N 2 2 321.428 3.152 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000246200166 432107932 /nfs/dbraw/zinc/10/79/32/432107932.db2.gz AWRKXMZRRVCZBX-QFBILLFUSA-N 2 2 321.428 3.152 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cs1 ZINC000275276978 212242758 /nfs/dbraw/zinc/24/27/58/212242758.db2.gz JWZOAOQOGYYYNJ-HNNXBMFYSA-N 2 2 316.474 3.282 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cs1 ZINC000275276978 212242762 /nfs/dbraw/zinc/24/27/62/212242762.db2.gz JWZOAOQOGYYYNJ-HNNXBMFYSA-N 2 2 316.474 3.282 10 0 DGAELP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246271005 432113741 /nfs/dbraw/zinc/11/37/41/432113741.db2.gz AEPKRTZNIGMWBL-GOEBONIOSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246271005 432113743 /nfs/dbraw/zinc/11/37/43/432113743.db2.gz AEPKRTZNIGMWBL-GOEBONIOSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246271005 432113744 /nfs/dbraw/zinc/11/37/44/432113744.db2.gz AEPKRTZNIGMWBL-GOEBONIOSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246271005 432113748 /nfs/dbraw/zinc/11/37/48/432113748.db2.gz AEPKRTZNIGMWBL-GOEBONIOSA-N 2 2 305.853 3.184 10 0 DGAELP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000459426088 243365893 /nfs/dbraw/zinc/36/58/93/243365893.db2.gz ICHGUJBMCPIZNY-CJNGLKHVSA-N 2 2 305.447 3.217 10 0 DGAELP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000459426088 243365899 /nfs/dbraw/zinc/36/58/99/243365899.db2.gz ICHGUJBMCPIZNY-CJNGLKHVSA-N 2 2 305.447 3.217 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119682770 284148776 /nfs/dbraw/zinc/14/87/76/284148776.db2.gz WABJVZUNCITJFD-AABGKKOBSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119682770 284148779 /nfs/dbraw/zinc/14/87/79/284148779.db2.gz WABJVZUNCITJFD-AABGKKOBSA-N 2 2 316.489 3.446 10 0 DGAELP C[C@@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000019946510 182168759 /nfs/dbraw/zinc/16/87/59/182168759.db2.gz AAEQZVYXIKAPBJ-IAQYHMDHSA-N 2 2 309.251 3.194 10 0 DGAELP COc1c(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000020928583 182254608 /nfs/dbraw/zinc/25/46/08/182254608.db2.gz SRDQJMZBRFEPQW-UHFFFAOYSA-N 2 2 314.216 3.378 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000171502063 432137805 /nfs/dbraw/zinc/13/78/05/432137805.db2.gz ILJHMGZDLHHDQR-UHFFFAOYSA-N 2 2 305.372 3.153 10 0 DGAELP Cc1ccc(CNc2[nH+]cnc(Nc3cc[nH+]cc3)c2N)cc1 ZINC000040687615 183117948 /nfs/dbraw/zinc/11/79/48/183117948.db2.gz OJQZZRAQDKWBTB-UHFFFAOYSA-N 2 2 306.373 3.118 10 0 DGAELP COc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)ccc1F ZINC000154158922 284715317 /nfs/dbraw/zinc/71/53/17/284715317.db2.gz BDODOHSHOOWQPL-CYBMUJFWSA-N 2 2 303.381 3.382 10 0 DGAELP CC(C)C[NH2+]Cc1ccc(Br)cc1-n1cc[nH+]c1 ZINC000062738542 184251812 /nfs/dbraw/zinc/25/18/12/184251812.db2.gz MZWCQBUNRFNIOI-UHFFFAOYSA-N 2 2 308.223 3.380 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000183113266 207615135 /nfs/dbraw/zinc/61/51/35/207615135.db2.gz GANFZMYCYNLXKJ-AWEZNQCLSA-N 2 2 304.463 3.436 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000183113266 207615140 /nfs/dbraw/zinc/61/51/40/207615140.db2.gz GANFZMYCYNLXKJ-AWEZNQCLSA-N 2 2 304.463 3.436 10 0 DGAELP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000119698591 195020639 /nfs/dbraw/zinc/02/06/39/195020639.db2.gz KHYAUSIJHWSIII-RTBURBONSA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000119698591 195020641 /nfs/dbraw/zinc/02/06/41/195020641.db2.gz KHYAUSIJHWSIII-RTBURBONSA-N 2 2 302.462 3.056 10 0 DGAELP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc[nH+]1 ZINC000337784024 253174856 /nfs/dbraw/zinc/17/48/56/253174856.db2.gz ACXDTQPVSQQZKB-QGZVFWFLSA-N 2 2 310.445 3.498 10 0 DGAELP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc[nH+]1 ZINC000337784024 253174859 /nfs/dbraw/zinc/17/48/59/253174859.db2.gz ACXDTQPVSQQZKB-QGZVFWFLSA-N 2 2 310.445 3.498 10 0 DGAELP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000120686768 195216966 /nfs/dbraw/zinc/21/69/66/195216966.db2.gz ZRKCQXSWMRWCOQ-FQEVSTJZSA-N 2 2 321.468 3.193 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000086595741 545801602 /nfs/dbraw/zinc/80/16/02/545801602.db2.gz ILZIBFYRQLAMHN-HOCLYGCPSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000086595741 545801608 /nfs/dbraw/zinc/80/16/08/545801608.db2.gz ILZIBFYRQLAMHN-HOCLYGCPSA-N 2 2 308.853 3.313 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616619935 400186562 /nfs/dbraw/zinc/18/65/62/400186562.db2.gz CQQSHMQRWGLJKO-OAHLLOKOSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616619935 400186566 /nfs/dbraw/zinc/18/65/66/400186566.db2.gz CQQSHMQRWGLJKO-OAHLLOKOSA-N 2 2 319.449 3.172 10 0 DGAELP CC[N@@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690007 400223380 /nfs/dbraw/zinc/22/33/80/400223380.db2.gz UYSHTEJFTXORNI-KRWDZBQOSA-N 2 2 318.486 3.063 10 0 DGAELP CC[N@H+](Cc1cccs1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690007 400223385 /nfs/dbraw/zinc/22/33/85/400223385.db2.gz UYSHTEJFTXORNI-KRWDZBQOSA-N 2 2 318.486 3.063 10 0 DGAELP CC[NH+](Cc1cccs1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690007 400223389 /nfs/dbraw/zinc/22/33/89/400223389.db2.gz UYSHTEJFTXORNI-KRWDZBQOSA-N 2 2 318.486 3.063 10 0 DGAELP CC[NH+](Cc1cccs1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690007 400223395 /nfs/dbraw/zinc/22/33/95/400223395.db2.gz UYSHTEJFTXORNI-KRWDZBQOSA-N 2 2 318.486 3.063 10 0 DGAELP c1ccc(N2CCC([NH2+]Cc3ccc4cccnc4c3)CC2)[nH+]c1 ZINC000589640190 400312757 /nfs/dbraw/zinc/31/27/57/400312757.db2.gz FJKKHTHGMZUNKB-UHFFFAOYSA-N 2 2 318.424 3.388 10 0 DGAELP Cc1cc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000069228912 400318681 /nfs/dbraw/zinc/31/86/81/400318681.db2.gz POVLSRHKNIFBMC-CQSZACIVSA-N 2 2 314.408 3.116 10 0 DGAELP C[NH+](C)C[C@@H]1C[N@H+](CCCc2cccc3ccccc32)CCO1 ZINC000124658264 400477324 /nfs/dbraw/zinc/47/73/24/400477324.db2.gz XSANXAMRYYZHOU-LJQANCHMSA-N 2 2 312.457 3.035 10 0 DGAELP C[NH+](C)C[C@@H]1C[N@@H+](CCCc2cccc3ccccc32)CCO1 ZINC000124658264 400477328 /nfs/dbraw/zinc/47/73/28/400477328.db2.gz XSANXAMRYYZHOU-LJQANCHMSA-N 2 2 312.457 3.035 10 0 DGAELP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082507 400484798 /nfs/dbraw/zinc/48/47/98/400484798.db2.gz HIIILHNRUSCVBM-INIZCTEOSA-N 2 2 323.400 3.079 10 0 DGAELP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082507 400484803 /nfs/dbraw/zinc/48/48/03/400484803.db2.gz HIIILHNRUSCVBM-INIZCTEOSA-N 2 2 323.400 3.079 10 0 DGAELP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1nc2ccccc2o1 ZINC000607642631 401099430 /nfs/dbraw/zinc/09/94/30/401099430.db2.gz HMVMBUWRIBPXSK-UHFFFAOYSA-N 2 2 306.369 3.276 10 0 DGAELP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)n(CC2CCC2)n1 ZINC000631061775 401381246 /nfs/dbraw/zinc/38/12/46/401381246.db2.gz GOTRMKCQKAZXLG-UHFFFAOYSA-N 2 2 313.449 3.060 10 0 DGAELP C[C@H]([NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019566 401405289 /nfs/dbraw/zinc/40/52/89/401405289.db2.gz IACUKVVVLVAFIN-IHPCNDPISA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019566 401405293 /nfs/dbraw/zinc/40/52/93/401405293.db2.gz IACUKVVVLVAFIN-IHPCNDPISA-N 3 2 315.505 3.019 10 0 DGAELP c1cn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000631253967 401438696 /nfs/dbraw/zinc/43/86/96/401438696.db2.gz MPVCSUGZZOKSHC-RBUKOAKNSA-N 2 2 311.429 3.310 10 0 DGAELP c1cc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)cs1 ZINC000631888104 401563548 /nfs/dbraw/zinc/56/35/48/401563548.db2.gz UFKRSUHEEIPZKM-WFASDCNBSA-N 2 2 319.499 3.446 10 0 DGAELP c1cc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cs2)cs1 ZINC000631888104 401563553 /nfs/dbraw/zinc/56/35/53/401563553.db2.gz UFKRSUHEEIPZKM-WFASDCNBSA-N 2 2 319.499 3.446 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886599 401564062 /nfs/dbraw/zinc/56/40/62/401564062.db2.gz KUBZLAJQYOYJQG-DOMZBBRYSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886599 401564064 /nfs/dbraw/zinc/56/40/64/401564064.db2.gz KUBZLAJQYOYJQG-DOMZBBRYSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890330 401564710 /nfs/dbraw/zinc/56/47/10/401564710.db2.gz QWTXORMGFICUOI-DZGCQCFKSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890330 401564711 /nfs/dbraw/zinc/56/47/11/401564711.db2.gz QWTXORMGFICUOI-DZGCQCFKSA-N 2 2 309.251 3.023 10 0 DGAELP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628286861 401567830 /nfs/dbraw/zinc/56/78/30/401567830.db2.gz CPIUPCDJKXUUIO-GOSISDBHSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628286861 401567834 /nfs/dbraw/zinc/56/78/34/401567834.db2.gz CPIUPCDJKXUUIO-GOSISDBHSA-N 2 2 313.445 3.375 10 0 DGAELP c1nc2c(s1)CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000623863268 401589902 /nfs/dbraw/zinc/58/99/02/401589902.db2.gz NSRCMDXNZDDUNP-CQSZACIVSA-N 2 2 314.458 3.174 10 0 DGAELP c1ccc(N2CC[C@@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC000623614454 401556466 /nfs/dbraw/zinc/55/64/66/401556466.db2.gz HDOSCAURKGUZOW-YLJYHZDGSA-N 2 2 313.489 3.262 10 0 DGAELP c1ccc(N2CC[C@@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC000623614454 401556469 /nfs/dbraw/zinc/55/64/69/401556469.db2.gz HDOSCAURKGUZOW-YLJYHZDGSA-N 2 2 313.489 3.262 10 0 DGAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000186879587 165063574 /nfs/dbraw/zinc/06/35/74/165063574.db2.gz CMSZYPKFNXXYPA-MSOLQXFVSA-N 2 2 304.503 3.382 10 0 DGAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000186879587 165063578 /nfs/dbraw/zinc/06/35/78/165063578.db2.gz CMSZYPKFNXXYPA-MSOLQXFVSA-N 2 2 304.503 3.382 10 0 DGAELP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000187138212 165079246 /nfs/dbraw/zinc/07/92/46/165079246.db2.gz VBKROEMLNGNYTN-UHFFFAOYSA-N 2 2 319.355 3.071 10 0 DGAELP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1F ZINC000192948064 165312730 /nfs/dbraw/zinc/31/27/30/165312730.db2.gz JGYOWQRKQYCSFI-CQSZACIVSA-N 2 2 315.392 3.163 10 0 DGAELP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1F ZINC000192948064 165312735 /nfs/dbraw/zinc/31/27/35/165312735.db2.gz JGYOWQRKQYCSFI-CQSZACIVSA-N 2 2 315.392 3.163 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000137597707 432179716 /nfs/dbraw/zinc/17/97/16/432179716.db2.gz DNWQAPQMXGKCGK-INIZCTEOSA-N 2 2 301.409 3.464 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000137597707 432179718 /nfs/dbraw/zinc/17/97/18/432179718.db2.gz DNWQAPQMXGKCGK-INIZCTEOSA-N 2 2 301.409 3.464 10 0 DGAELP C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247186322 432209548 /nfs/dbraw/zinc/20/95/48/432209548.db2.gz VMRBKCSDMDGCEB-IAGOWNOFSA-N 2 2 312.461 3.397 10 0 DGAELP COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247283985 432218226 /nfs/dbraw/zinc/21/82/26/432218226.db2.gz YSUWURWXPDGAPQ-MAUKXSAKSA-N 2 2 300.446 3.144 10 0 DGAELP COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247283985 432218232 /nfs/dbraw/zinc/21/82/32/432218232.db2.gz YSUWURWXPDGAPQ-MAUKXSAKSA-N 2 2 300.446 3.144 10 0 DGAELP COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247283985 432218235 /nfs/dbraw/zinc/21/82/35/432218235.db2.gz YSUWURWXPDGAPQ-MAUKXSAKSA-N 2 2 300.446 3.144 10 0 DGAELP COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247283985 432218238 /nfs/dbraw/zinc/21/82/38/432218238.db2.gz YSUWURWXPDGAPQ-MAUKXSAKSA-N 2 2 300.446 3.144 10 0 DGAELP COc1cccc2c(N[C@H]3CCc4[nH+]c(C)cn4C3)c(C)c[nH+]c12 ZINC000302664590 230336651 /nfs/dbraw/zinc/33/66/51/230336651.db2.gz PRORGFSCNXKFSG-AWEZNQCLSA-N 2 2 322.412 3.484 10 0 DGAELP c1n[nH]c2c1[C@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000367611094 271051100 /nfs/dbraw/zinc/05/11/00/271051100.db2.gz AATCUJUIPIAYFV-GOSISDBHSA-N 2 2 310.445 3.173 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000368080378 271131215 /nfs/dbraw/zinc/13/12/15/271131215.db2.gz BWPMAXYHEASZBD-LBPRGKRZSA-N 2 2 302.447 3.171 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(C3CCCC3)s1)CC2 ZINC000368080378 271131219 /nfs/dbraw/zinc/13/12/19/271131219.db2.gz BWPMAXYHEASZBD-LBPRGKRZSA-N 2 2 302.447 3.171 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@H]2CCCc3sccc32)c[nH+]1 ZINC000151524638 432253813 /nfs/dbraw/zinc/25/38/13/432253813.db2.gz ABBYKRZBZXFCKK-HNNXBMFYSA-N 2 2 310.426 3.496 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000247944218 432255130 /nfs/dbraw/zinc/25/51/30/432255130.db2.gz GYHCYACKEKEKCU-QFBILLFUSA-N 2 2 301.478 3.462 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000247944218 432255132 /nfs/dbraw/zinc/25/51/32/432255132.db2.gz GYHCYACKEKEKCU-QFBILLFUSA-N 2 2 301.478 3.462 10 0 DGAELP CCC[N@H+](Cc1sc(C)nc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000262179795 276003359 /nfs/dbraw/zinc/00/33/59/276003359.db2.gz WOPBSJZOHWXPTC-UHFFFAOYSA-N 2 2 321.412 3.434 10 0 DGAELP CCC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000262179795 276003360 /nfs/dbraw/zinc/00/33/60/276003360.db2.gz WOPBSJZOHWXPTC-UHFFFAOYSA-N 2 2 321.412 3.434 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340355094 277178186 /nfs/dbraw/zinc/17/81/86/277178186.db2.gz FHTXFPIMYOJJNV-LPHOPBHVSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340355094 277178187 /nfs/dbraw/zinc/17/81/87/277178187.db2.gz FHTXFPIMYOJJNV-LPHOPBHVSA-N 2 2 304.478 3.444 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCOC3CCCC3)C2)cc1 ZINC000108942793 431159419 /nfs/dbraw/zinc/15/94/19/431159419.db2.gz QGFZITVWHQVZLY-GOSISDBHSA-N 2 2 302.462 3.200 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCOC3CCCC3)C2)cc1 ZINC000108942793 431159424 /nfs/dbraw/zinc/15/94/24/431159424.db2.gz QGFZITVWHQVZLY-GOSISDBHSA-N 2 2 302.462 3.200 10 0 DGAELP CCCc1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000114717196 431406994 /nfs/dbraw/zinc/40/69/94/431406994.db2.gz QUAGXAMYGJWSKR-AWEZNQCLSA-N 2 2 316.474 3.425 10 0 DGAELP CCCc1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cs1 ZINC000114717196 431406999 /nfs/dbraw/zinc/40/69/99/431406999.db2.gz QUAGXAMYGJWSKR-AWEZNQCLSA-N 2 2 316.474 3.425 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842327 431621312 /nfs/dbraw/zinc/62/13/12/431621312.db2.gz VHOABNZQJBHUEZ-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842327 431621314 /nfs/dbraw/zinc/62/13/14/431621314.db2.gz VHOABNZQJBHUEZ-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842327 431621321 /nfs/dbraw/zinc/62/13/21/431621321.db2.gz VHOABNZQJBHUEZ-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842327 431621323 /nfs/dbraw/zinc/62/13/23/431621323.db2.gz VHOABNZQJBHUEZ-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422994166 280496987 /nfs/dbraw/zinc/49/69/87/280496987.db2.gz USPBVSJTFYNJPH-GBESFXJTSA-N 2 2 316.493 3.399 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000122920927 431849270 /nfs/dbraw/zinc/84/92/70/431849270.db2.gz UVMUHRWMAMPNGQ-HNNXBMFYSA-N 2 2 315.465 3.303 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139361 431856715 /nfs/dbraw/zinc/85/67/15/431856715.db2.gz FOHLXXKNBASKDC-UONOGXRCSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000123139361 431856716 /nfs/dbraw/zinc/85/67/16/431856716.db2.gz FOHLXXKNBASKDC-UONOGXRCSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139361 431856719 /nfs/dbraw/zinc/85/67/19/431856719.db2.gz FOHLXXKNBASKDC-UONOGXRCSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139361 431856720 /nfs/dbraw/zinc/85/67/20/431856720.db2.gz FOHLXXKNBASKDC-UONOGXRCSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123414343 431863790 /nfs/dbraw/zinc/86/37/90/431863790.db2.gz RTEIQUOCISPGRT-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123414343 431863791 /nfs/dbraw/zinc/86/37/91/431863791.db2.gz RTEIQUOCISPGRT-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123414343 431863794 /nfs/dbraw/zinc/86/37/94/431863794.db2.gz RTEIQUOCISPGRT-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123414343 431863795 /nfs/dbraw/zinc/86/37/95/431863795.db2.gz RTEIQUOCISPGRT-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1SC ZINC000123407507 431864083 /nfs/dbraw/zinc/86/40/83/431864083.db2.gz QGNMXGKKNVINDN-UKRRQHHQSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1SC ZINC000123407507 431864086 /nfs/dbraw/zinc/86/40/86/431864086.db2.gz QGNMXGKKNVINDN-UKRRQHHQSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1SC ZINC000123407507 431864087 /nfs/dbraw/zinc/86/40/87/431864087.db2.gz QGNMXGKKNVINDN-UKRRQHHQSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1SC ZINC000123407507 431864089 /nfs/dbraw/zinc/86/40/89/431864089.db2.gz QGNMXGKKNVINDN-UKRRQHHQSA-N 2 2 308.491 3.332 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123534190 431867464 /nfs/dbraw/zinc/86/74/64/431867464.db2.gz PTEIOGDGDBBXAX-ZIAGYGMSSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123534190 431867465 /nfs/dbraw/zinc/86/74/65/431867465.db2.gz PTEIOGDGDBBXAX-ZIAGYGMSSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123534190 431867467 /nfs/dbraw/zinc/86/74/67/431867467.db2.gz PTEIOGDGDBBXAX-ZIAGYGMSSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123534190 431867470 /nfs/dbraw/zinc/86/74/70/431867470.db2.gz PTEIOGDGDBBXAX-ZIAGYGMSSA-N 2 2 318.440 3.110 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123940427 431878393 /nfs/dbraw/zinc/87/83/93/431878393.db2.gz WAMCDWQNBQXUBG-TZMCWYRMSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123940427 431878396 /nfs/dbraw/zinc/87/83/96/431878396.db2.gz WAMCDWQNBQXUBG-TZMCWYRMSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123940427 431878398 /nfs/dbraw/zinc/87/83/98/431878398.db2.gz WAMCDWQNBQXUBG-TZMCWYRMSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123940427 431878402 /nfs/dbraw/zinc/87/84/02/431878402.db2.gz WAMCDWQNBQXUBG-TZMCWYRMSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995514 431880421 /nfs/dbraw/zinc/88/04/21/431880421.db2.gz YCAMOOADMDRDDW-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@H+]1C ZINC000123995514 431880422 /nfs/dbraw/zinc/88/04/22/431880422.db2.gz YCAMOOADMDRDDW-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995514 431880424 /nfs/dbraw/zinc/88/04/24/431880424.db2.gz YCAMOOADMDRDDW-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995514 431880426 /nfs/dbraw/zinc/88/04/26/431880426.db2.gz YCAMOOADMDRDDW-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123990177 431880508 /nfs/dbraw/zinc/88/05/08/431880508.db2.gz VVKUWFPWZJTGMX-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000123990177 431880510 /nfs/dbraw/zinc/88/05/10/431880510.db2.gz VVKUWFPWZJTGMX-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123990177 431880512 /nfs/dbraw/zinc/88/05/12/431880512.db2.gz VVKUWFPWZJTGMX-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123990177 431880514 /nfs/dbraw/zinc/88/05/14/431880514.db2.gz VVKUWFPWZJTGMX-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003495 431888548 /nfs/dbraw/zinc/88/85/48/431888548.db2.gz CUVRWEZHSDYFHM-JKSUJKDBSA-N 2 2 313.445 3.444 10 0 DGAELP COc1cccc([C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003495 431888550 /nfs/dbraw/zinc/88/85/50/431888550.db2.gz CUVRWEZHSDYFHM-JKSUJKDBSA-N 2 2 313.445 3.444 10 0 DGAELP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003496 431888631 /nfs/dbraw/zinc/88/86/31/431888631.db2.gz CUVRWEZHSDYFHM-HZPDHXFCSA-N 2 2 313.445 3.444 10 0 DGAELP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003496 431888634 /nfs/dbraw/zinc/88/86/34/431888634.db2.gz CUVRWEZHSDYFHM-HZPDHXFCSA-N 2 2 313.445 3.444 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000125461945 431926655 /nfs/dbraw/zinc/92/66/55/431926655.db2.gz QQFMMRNVEZUOLS-HNNXBMFYSA-N 2 2 313.420 3.271 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000125461945 431926658 /nfs/dbraw/zinc/92/66/58/431926658.db2.gz QQFMMRNVEZUOLS-HNNXBMFYSA-N 2 2 313.420 3.271 10 0 DGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000191522059 432272470 /nfs/dbraw/zinc/27/24/70/432272470.db2.gz ASGONEOIDAJNBO-UHFFFAOYSA-N 2 2 303.454 3.135 10 0 DGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000191522059 432272474 /nfs/dbraw/zinc/27/24/74/432272474.db2.gz ASGONEOIDAJNBO-UHFFFAOYSA-N 2 2 303.454 3.135 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217488 432275769 /nfs/dbraw/zinc/27/57/69/432275769.db2.gz ZWXMLXZLNHZMQJ-DLBZAZTESA-N 2 2 311.429 3.258 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217488 432275772 /nfs/dbraw/zinc/27/57/72/432275772.db2.gz ZWXMLXZLNHZMQJ-DLBZAZTESA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217488 432275774 /nfs/dbraw/zinc/27/57/74/432275774.db2.gz ZWXMLXZLNHZMQJ-DLBZAZTESA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217488 432275777 /nfs/dbraw/zinc/27/57/77/432275777.db2.gz ZWXMLXZLNHZMQJ-DLBZAZTESA-N 2 2 311.429 3.258 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000173699120 432295257 /nfs/dbraw/zinc/29/52/57/432295257.db2.gz WECUVFXHIPILLU-QGZVFWFLSA-N 2 2 312.461 3.349 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000173699120 432295259 /nfs/dbraw/zinc/29/52/59/432295259.db2.gz WECUVFXHIPILLU-QGZVFWFLSA-N 2 2 312.461 3.349 10 0 DGAELP Clc1cnccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779389 432299763 /nfs/dbraw/zinc/29/97/63/432299763.db2.gz DJQTXOKBBUYKRI-ZDUSSCGKSA-N 2 2 302.809 3.064 10 0 DGAELP Clc1cnccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779389 432299766 /nfs/dbraw/zinc/29/97/66/432299766.db2.gz DJQTXOKBBUYKRI-ZDUSSCGKSA-N 2 2 302.809 3.064 10 0 DGAELP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000173229411 432264554 /nfs/dbraw/zinc/26/45/54/432264554.db2.gz HDMZEEQNNAVOBD-IBGZPJMESA-N 2 2 323.440 3.336 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072917 432267260 /nfs/dbraw/zinc/26/72/60/432267260.db2.gz MSEWIANXUGRJAN-XJKSGUPXSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072917 432267263 /nfs/dbraw/zinc/26/72/63/432267263.db2.gz MSEWIANXUGRJAN-XJKSGUPXSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072917 432267267 /nfs/dbraw/zinc/26/72/67/432267267.db2.gz MSEWIANXUGRJAN-XJKSGUPXSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072917 432267271 /nfs/dbraw/zinc/26/72/71/432267271.db2.gz MSEWIANXUGRJAN-XJKSGUPXSA-N 2 2 317.458 3.319 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@H+](CCCn3cc[nH+]c3)[C@H](C)CO2)c1 ZINC000183181977 432267952 /nfs/dbraw/zinc/26/79/52/432267952.db2.gz XOLUSWKWPIXWKQ-MJGOQNOKSA-N 2 2 313.445 3.352 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)[C@H](C)CO2)c1 ZINC000183181977 432267954 /nfs/dbraw/zinc/26/79/54/432267954.db2.gz XOLUSWKWPIXWKQ-MJGOQNOKSA-N 2 2 313.445 3.352 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248811920 432319904 /nfs/dbraw/zinc/31/99/04/432319904.db2.gz COYPPIJUUBWPAI-RTBURBONSA-N 2 2 311.429 3.324 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248811920 432319909 /nfs/dbraw/zinc/31/99/09/432319909.db2.gz COYPPIJUUBWPAI-RTBURBONSA-N 2 2 311.429 3.324 10 0 DGAELP Cc1c[nH+]ccc1NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000191980764 432319988 /nfs/dbraw/zinc/31/99/88/432319988.db2.gz FGBORRVSGOQFSX-ZBFHGGJFSA-N 2 2 317.458 3.325 10 0 DGAELP Cc1c[nH+]ccc1NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000191980764 432319992 /nfs/dbraw/zinc/31/99/92/432319992.db2.gz FGBORRVSGOQFSX-ZBFHGGJFSA-N 2 2 317.458 3.325 10 0 DGAELP C[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251890490 432371788 /nfs/dbraw/zinc/37/17/88/432371788.db2.gz VNEMLWUDVSCVQO-ZWNOBZJWSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251890490 432371792 /nfs/dbraw/zinc/37/17/92/432371792.db2.gz VNEMLWUDVSCVQO-ZWNOBZJWSA-N 2 2 303.233 3.041 10 0 DGAELP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cocn1 ZINC000192318097 432358754 /nfs/dbraw/zinc/35/87/54/432358754.db2.gz GFCPMMQPNWPCFW-UHFFFAOYSA-N 2 2 311.385 3.189 10 0 DGAELP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cocn1 ZINC000192318097 432358757 /nfs/dbraw/zinc/35/87/57/432358757.db2.gz GFCPMMQPNWPCFW-UHFFFAOYSA-N 2 2 311.385 3.189 10 0 DGAELP CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249879229 432359527 /nfs/dbraw/zinc/35/95/27/432359527.db2.gz MTMMTOLFRCFZSX-KGLIPLIRSA-N 2 2 315.421 3.083 10 0 DGAELP CC(C)c1noc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249879229 432359532 /nfs/dbraw/zinc/35/95/32/432359532.db2.gz MTMMTOLFRCFZSX-KGLIPLIRSA-N 2 2 315.421 3.083 10 0 DGAELP CC[N@H+](Cc1ccccc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262010830 432468299 /nfs/dbraw/zinc/46/82/99/432468299.db2.gz MFUSUWPCJXFCMH-OAHLLOKOSA-N 2 2 311.267 3.271 10 0 DGAELP CC[N@@H+](Cc1ccccc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262010830 432468304 /nfs/dbraw/zinc/46/83/04/432468304.db2.gz MFUSUWPCJXFCMH-OAHLLOKOSA-N 2 2 311.267 3.271 10 0 DGAELP COc1ccsc1[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000186103690 432558974 /nfs/dbraw/zinc/55/89/74/432558974.db2.gz ISCDXRYOOGWYQJ-GFCCVEGCSA-N 2 2 314.414 3.188 10 0 DGAELP C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185674249 432522637 /nfs/dbraw/zinc/52/26/37/432522637.db2.gz DKASHCIDYHHQOB-LIRRHRJNSA-N 2 2 308.429 3.344 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000158534527 432649185 /nfs/dbraw/zinc/64/91/85/432649185.db2.gz QDFQZRGXPFNSOK-ZIAGYGMSSA-N 2 2 307.507 3.357 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000158534527 432649187 /nfs/dbraw/zinc/64/91/87/432649187.db2.gz QDFQZRGXPFNSOK-ZIAGYGMSSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000158534527 432649192 /nfs/dbraw/zinc/64/91/92/432649192.db2.gz QDFQZRGXPFNSOK-ZIAGYGMSSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000158534527 432649194 /nfs/dbraw/zinc/64/91/94/432649194.db2.gz QDFQZRGXPFNSOK-ZIAGYGMSSA-N 2 2 307.507 3.357 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316770 432719674 /nfs/dbraw/zinc/71/96/74/432719674.db2.gz GWVCFBABZXQVJJ-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000178316770 432719678 /nfs/dbraw/zinc/71/96/78/432719678.db2.gz GWVCFBABZXQVJJ-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415453 432828711 /nfs/dbraw/zinc/82/87/11/432828711.db2.gz DGNHZVJTDIORNS-DZGCQCFKSA-N 2 2 303.475 3.458 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415453 432828714 /nfs/dbraw/zinc/82/87/14/432828714.db2.gz DGNHZVJTDIORNS-DZGCQCFKSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415453 432828718 /nfs/dbraw/zinc/82/87/18/432828718.db2.gz DGNHZVJTDIORNS-DZGCQCFKSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415453 432828721 /nfs/dbraw/zinc/82/87/21/432828721.db2.gz DGNHZVJTDIORNS-DZGCQCFKSA-N 2 2 303.475 3.458 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860238 /nfs/dbraw/zinc/86/02/38/432860238.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860240 /nfs/dbraw/zinc/86/02/40/432860240.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860242 /nfs/dbraw/zinc/86/02/42/432860242.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860243 /nfs/dbraw/zinc/86/02/43/432860243.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860244 /nfs/dbraw/zinc/86/02/44/432860244.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741665 432860246 /nfs/dbraw/zinc/86/02/46/432860246.db2.gz LXVFFFXXDBSYTF-YJBOKZPZSA-N 2 2 312.461 3.095 10 0 DGAELP C[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000245611957 432849461 /nfs/dbraw/zinc/84/94/61/432849461.db2.gz LPNNWVQXAAQOQQ-DZGCQCFKSA-N 2 2 315.421 3.007 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000245611957 432849462 /nfs/dbraw/zinc/84/94/62/432849462.db2.gz LPNNWVQXAAQOQQ-DZGCQCFKSA-N 2 2 315.421 3.007 10 0 DGAELP C[C@@H]1c2cccc(Br)c2CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261825136 289073176 /nfs/dbraw/zinc/07/31/76/289073176.db2.gz IPHHCXBFATXVCP-OLZOCXBDSA-N 2 2 323.278 3.368 10 0 DGAELP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261825136 289073178 /nfs/dbraw/zinc/07/31/78/289073178.db2.gz IPHHCXBFATXVCP-OLZOCXBDSA-N 2 2 323.278 3.368 10 0 DGAELP c1ccc2[nH+]c(NCc3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1 ZINC000301066660 433401048 /nfs/dbraw/zinc/40/10/48/433401048.db2.gz HAKCPZPXQQNOHD-UHFFFAOYSA-N 2 2 322.412 3.007 10 0 DGAELP COc1ccc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000361840412 433414024 /nfs/dbraw/zinc/41/40/24/433414024.db2.gz SSHNRAHIYXNMAI-UHFFFAOYSA-N 2 2 305.809 3.451 10 0 DGAELP c1cn(-c2cc(C[NH2+]Cc3ccc4occc4c3)ccn2)c[nH+]1 ZINC000367523424 293083546 /nfs/dbraw/zinc/08/35/46/293083546.db2.gz OTUOMFXOCAZUDX-UHFFFAOYSA-N 2 2 304.353 3.303 10 0 DGAELP c1c[nH+]c([C@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000373521813 293285436 /nfs/dbraw/zinc/28/54/36/293285436.db2.gz LOJQMNIDFASYBP-DAWZGUTISA-N 2 2 310.445 3.106 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850564 433759223 /nfs/dbraw/zinc/75/92/23/433759223.db2.gz AXMUERYISBEYSC-GOEBONIOSA-N 2 2 321.428 3.280 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850564 433759235 /nfs/dbraw/zinc/75/92/35/433759235.db2.gz AXMUERYISBEYSC-GOEBONIOSA-N 2 2 321.428 3.280 10 0 DGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000414694175 433796782 /nfs/dbraw/zinc/79/67/82/433796782.db2.gz NSNSWBXPKQFFMS-HXUWFJFHSA-N 3 2 317.521 3.204 10 0 DGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000414694175 433796794 /nfs/dbraw/zinc/79/67/94/433796794.db2.gz NSNSWBXPKQFFMS-HXUWFJFHSA-N 3 2 317.521 3.204 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC000377798363 433999589 /nfs/dbraw/zinc/99/95/89/433999589.db2.gz HOADOSIIUVVINM-HNAYVOBHSA-N 2 2 304.397 3.041 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798363 433999597 /nfs/dbraw/zinc/99/95/97/433999597.db2.gz HOADOSIIUVVINM-HNAYVOBHSA-N 2 2 304.397 3.041 10 0 DGAELP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)on1 ZINC000310027231 434109512 /nfs/dbraw/zinc/10/95/12/434109512.db2.gz VXPLIKPTNTTWIM-SFHVURJKSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000310027231 434109519 /nfs/dbraw/zinc/10/95/19/434109519.db2.gz VXPLIKPTNTTWIM-SFHVURJKSA-N 2 2 313.445 3.375 10 0 DGAELP C[N@H+](Cc1cc(Br)cs1)[C@H]1C[NH+]2CCC1CC2 ZINC000310424914 434114534 /nfs/dbraw/zinc/11/45/34/434114534.db2.gz LSVGMRYCYMSXPG-ZDUSSCGKSA-N 2 2 315.280 3.037 10 0 DGAELP C[N@@H+](Cc1cc(Br)cs1)[C@H]1C[NH+]2CCC1CC2 ZINC000310424914 434114540 /nfs/dbraw/zinc/11/45/40/434114540.db2.gz LSVGMRYCYMSXPG-ZDUSSCGKSA-N 2 2 315.280 3.037 10 0 DGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Br)c1 ZINC000313291422 434124999 /nfs/dbraw/zinc/12/49/99/434124999.db2.gz GQBZSCNGHVHAAD-NSHDSACASA-N 2 2 308.223 3.076 10 0 DGAELP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Br)c1 ZINC000313266067 434128718 /nfs/dbraw/zinc/12/87/18/434128718.db2.gz PUHKNVGETJAXBR-HNNXBMFYSA-N 2 2 322.250 3.466 10 0 DGAELP c1csc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752936 434315120 /nfs/dbraw/zinc/31/51/20/434315120.db2.gz CLJINYZNRNGBNE-DZGCQCFKSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752936 434315125 /nfs/dbraw/zinc/31/51/25/434315125.db2.gz CLJINYZNRNGBNE-DZGCQCFKSA-N 2 2 317.458 3.367 10 0 DGAELP c1nc([C@@H]2CCCO2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279262 434380367 /nfs/dbraw/zinc/38/03/67/434380367.db2.gz GVJPVVLSRAEXKW-XUJLQICISA-N 2 2 321.490 3.101 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000389287454 434345787 /nfs/dbraw/zinc/34/57/87/434345787.db2.gz WLFGFTIZPBRZGV-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000389287454 434345789 /nfs/dbraw/zinc/34/57/89/434345789.db2.gz WLFGFTIZPBRZGV-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527670399 295113279 /nfs/dbraw/zinc/11/32/79/295113279.db2.gz OBRHWMMLZSZTQL-RYUDHWBXSA-N 2 2 317.296 3.473 10 0 DGAELP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527952658 295155954 /nfs/dbraw/zinc/15/59/54/295155954.db2.gz VAJHZYUJAJNQIG-HKUYNNGSSA-N 2 2 313.489 3.326 10 0 DGAELP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527952658 295155955 /nfs/dbraw/zinc/15/59/55/295155955.db2.gz VAJHZYUJAJNQIG-HKUYNNGSSA-N 2 2 313.489 3.326 10 0 DGAELP c1cn(-c2csc(C[NH+]3CCC(OC4CCC4)CC3)c2)c[nH+]1 ZINC000418087695 434583207 /nfs/dbraw/zinc/58/32/07/434583207.db2.gz DAYXEEIZRRRZRN-UHFFFAOYSA-N 2 2 317.458 3.467 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000579793751 435183147 /nfs/dbraw/zinc/18/31/47/435183147.db2.gz AFCQFYGDHXLDMT-SFHVURJKSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000579793751 435183152 /nfs/dbraw/zinc/18/31/52/435183152.db2.gz AFCQFYGDHXLDMT-SFHVURJKSA-N 2 2 302.462 3.452 10 0 DGAELP c1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583871464 435251386 /nfs/dbraw/zinc/25/13/86/435251386.db2.gz JILINVTYZBJQFJ-INIZCTEOSA-N 2 2 313.470 3.430 10 0 DGAELP c1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583871464 435251391 /nfs/dbraw/zinc/25/13/91/435251391.db2.gz JILINVTYZBJQFJ-INIZCTEOSA-N 2 2 313.470 3.430 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CC[C@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000516470251 435534273 /nfs/dbraw/zinc/53/42/73/435534273.db2.gz KWCZJEMVPGBBSV-HNNXBMFYSA-N 2 2 310.426 3.318 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CC[C@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000516470251 435534280 /nfs/dbraw/zinc/53/42/80/435534280.db2.gz KWCZJEMVPGBBSV-HNNXBMFYSA-N 2 2 310.426 3.318 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000568936112 435484478 /nfs/dbraw/zinc/48/44/78/435484478.db2.gz CWEZIGIENTUXHB-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CC2 ZINC000568936112 435484484 /nfs/dbraw/zinc/48/44/84/435484484.db2.gz CWEZIGIENTUXHB-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP CC(C)n1cc[nH+]c1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000657429760 436197733 /nfs/dbraw/zinc/19/77/33/436197733.db2.gz VVZARPUEKBRFQW-INIZCTEOSA-N 2 2 300.450 3.074 10 0 DGAELP CC(C)n1cc[nH+]c1CN[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000657429760 436197738 /nfs/dbraw/zinc/19/77/38/436197738.db2.gz VVZARPUEKBRFQW-INIZCTEOSA-N 2 2 300.450 3.074 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657432794 436197898 /nfs/dbraw/zinc/19/78/98/436197898.db2.gz KECJDRFUVBMVNP-IPMKNSEASA-N 2 2 324.472 3.027 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657432794 436197905 /nfs/dbraw/zinc/19/79/05/436197905.db2.gz KECJDRFUVBMVNP-IPMKNSEASA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC000657432794 436197910 /nfs/dbraw/zinc/19/79/10/436197910.db2.gz KECJDRFUVBMVNP-IPMKNSEASA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC000657432794 436197916 /nfs/dbraw/zinc/19/79/16/436197916.db2.gz KECJDRFUVBMVNP-IPMKNSEASA-N 2 2 324.472 3.027 10 0 DGAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545158420 314228787 /nfs/dbraw/zinc/22/87/87/314228787.db2.gz KMWVLCIIASCNSJ-IBGZPJMESA-N 2 2 320.452 3.015 10 0 DGAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545158420 314228791 /nfs/dbraw/zinc/22/87/91/314228791.db2.gz KMWVLCIIASCNSJ-IBGZPJMESA-N 2 2 320.452 3.015 10 0 DGAELP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000546573462 314312046 /nfs/dbraw/zinc/31/20/46/314312046.db2.gz MBDHBSDAAFUGTO-IRXDYDNUSA-N 2 2 302.462 3.429 10 0 DGAELP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546573462 314312047 /nfs/dbraw/zinc/31/20/47/314312047.db2.gz MBDHBSDAAFUGTO-IRXDYDNUSA-N 2 2 302.462 3.429 10 0 DGAELP Clc1ccc(Br)c(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000563414868 315112665 /nfs/dbraw/zinc/11/26/65/315112665.db2.gz AOKYPVGBSVMMLV-UHFFFAOYSA-N 2 2 317.658 3.288 10 0 DGAELP c1sc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1-c1ccccc1 ZINC000566230398 315324553 /nfs/dbraw/zinc/32/45/53/315324553.db2.gz NQYJBSRCNVKZCA-GOSISDBHSA-N 2 2 313.470 3.386 10 0 DGAELP c1sc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc1-c1ccccc1 ZINC000566230398 315324556 /nfs/dbraw/zinc/32/45/56/315324556.db2.gz NQYJBSRCNVKZCA-GOSISDBHSA-N 2 2 313.470 3.386 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694560 323392853 /nfs/dbraw/zinc/39/28/53/323392853.db2.gz SZFVLKJMABNMKG-HZPDHXFCSA-N 2 2 304.482 3.207 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185694560 323392854 /nfs/dbraw/zinc/39/28/54/323392854.db2.gz SZFVLKJMABNMKG-HZPDHXFCSA-N 2 2 304.482 3.207 10 0 DGAELP Cc1nc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000157170488 526859694 /nfs/dbraw/zinc/85/96/94/526859694.db2.gz QNWKERDAMNYVIE-KRWDZBQOSA-N 2 2 324.472 3.389 10 0 DGAELP Cc1nc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000157170488 526859704 /nfs/dbraw/zinc/85/97/04/526859704.db2.gz QNWKERDAMNYVIE-KRWDZBQOSA-N 2 2 324.472 3.389 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000163270447 527396937 /nfs/dbraw/zinc/39/69/37/527396937.db2.gz FGVKMWWWUDTCMR-MRXNPFEDSA-N 2 2 305.447 3.107 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000163270447 527396939 /nfs/dbraw/zinc/39/69/39/527396939.db2.gz FGVKMWWWUDTCMR-MRXNPFEDSA-N 2 2 305.447 3.107 10 0 DGAELP CCCc1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000428211780 528723294 /nfs/dbraw/zinc/72/32/94/528723294.db2.gz YDABGFBLFJVUPC-MRXNPFEDSA-N 2 2 305.466 3.099 10 0 DGAELP CCCc1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000428211780 528723300 /nfs/dbraw/zinc/72/33/00/528723300.db2.gz YDABGFBLFJVUPC-MRXNPFEDSA-N 2 2 305.466 3.099 10 0 DGAELP CCCc1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000428211780 528723306 /nfs/dbraw/zinc/72/33/06/528723306.db2.gz YDABGFBLFJVUPC-MRXNPFEDSA-N 2 2 305.466 3.099 10 0 DGAELP CCCc1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000428211780 528723315 /nfs/dbraw/zinc/72/33/15/528723315.db2.gz YDABGFBLFJVUPC-MRXNPFEDSA-N 2 2 305.466 3.099 10 0 DGAELP Cc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C#N)c(C)[nH+]1 ZINC000299739948 563938703 /nfs/dbraw/zinc/93/87/03/563938703.db2.gz TZKWCFYAWQFYRZ-HNNXBMFYSA-N 2 2 321.428 3.097 10 0 DGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261641912 656940896 /nfs/dbraw/zinc/94/08/96/656940896.db2.gz CJEIXRSSZBKNES-MISXGVKJSA-N 2 2 315.244 3.041 10 0 DGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261641912 656940901 /nfs/dbraw/zinc/94/09/01/656940901.db2.gz CJEIXRSSZBKNES-MISXGVKJSA-N 2 2 315.244 3.041 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000353533402 659996010 /nfs/dbraw/zinc/99/60/10/659996010.db2.gz RTVURHWKKUUXAN-HHXXYDBFSA-N 2 2 324.472 3.430 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000353533402 659996012 /nfs/dbraw/zinc/99/60/12/659996012.db2.gz RTVURHWKKUUXAN-HHXXYDBFSA-N 2 2 324.472 3.430 10 0 DGAELP C[C@]1(C[NH2+]C[C@H]2CCC=CO2)CCC[N@@H+]1Cc1ccccc1 ZINC000249041529 662363241 /nfs/dbraw/zinc/36/32/41/662363241.db2.gz UWLCRAYGNVJIKX-RTBURBONSA-N 2 2 300.446 3.323 10 0 DGAELP C[C@]1(C[NH2+]C[C@H]2CCC=CO2)CCC[N@H+]1Cc1ccccc1 ZINC000249041529 662363243 /nfs/dbraw/zinc/36/32/43/662363243.db2.gz UWLCRAYGNVJIKX-RTBURBONSA-N 2 2 300.446 3.323 10 0 DGAELP Cc1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000404418173 1199554472 /nfs/dbraw/zinc/55/44/72/1199554472.db2.gz PWTYIBWQRUHTKK-OAHLLOKOSA-N 2 2 303.475 3.452 10 0 DGAELP Cc1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)sn1 ZINC000404418173 1199554473 /nfs/dbraw/zinc/55/44/73/1199554473.db2.gz PWTYIBWQRUHTKK-OAHLLOKOSA-N 2 2 303.475 3.452 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720866425 1096071222 /nfs/dbraw/zinc/07/12/22/1096071222.db2.gz TVOKQYZWRZOYDM-FHWLQOOXSA-N 2 2 316.489 3.444 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720866425 1096071233 /nfs/dbraw/zinc/07/12/33/1096071233.db2.gz TVOKQYZWRZOYDM-FHWLQOOXSA-N 2 2 316.489 3.444 10 0 DGAELP COCC1(C[NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CCC1 ZINC000386682534 1108448400 /nfs/dbraw/zinc/44/84/00/1108448400.db2.gz IOBIDMHYIJIVJZ-UHFFFAOYSA-N 2 2 316.489 3.447 10 0 DGAELP COCC1(C[NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CCC1 ZINC000386682534 1108448406 /nfs/dbraw/zinc/44/84/06/1108448406.db2.gz IOBIDMHYIJIVJZ-UHFFFAOYSA-N 2 2 316.489 3.447 10 0 DGAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250584218 546329003 /nfs/dbraw/zinc/32/90/03/546329003.db2.gz GLFDLUHVYCMSFD-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250584218 546329008 /nfs/dbraw/zinc/32/90/08/546329008.db2.gz GLFDLUHVYCMSFD-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP C[C@@H]([NH2+]CCC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181584894 199322595 /nfs/dbraw/zinc/32/25/95/199322595.db2.gz VAWHULOTCFFNBD-GASCZTMLSA-N 2 2 314.429 3.489 10 0 DGAELP C[N@H+](CCc1cccs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328625390 529936493 /nfs/dbraw/zinc/93/64/93/529936493.db2.gz DDCPYXVLHKQONR-WMZOPIPTSA-N 2 2 315.486 3.310 10 0 DGAELP C[N@@H+](CCc1cccs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328625390 529936495 /nfs/dbraw/zinc/93/64/95/529936495.db2.gz DDCPYXVLHKQONR-WMZOPIPTSA-N 2 2 315.486 3.310 10 0 DGAELP C[NH+](CCc1cccs1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328625390 529936496 /nfs/dbraw/zinc/93/64/96/529936496.db2.gz DDCPYXVLHKQONR-WMZOPIPTSA-N 2 2 315.486 3.310 10 0 DGAELP C[NH+](CCc1cccs1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328625390 529936497 /nfs/dbraw/zinc/93/64/97/529936497.db2.gz DDCPYXVLHKQONR-WMZOPIPTSA-N 2 2 315.486 3.310 10 0 DGAELP Fc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1F ZINC000103473729 432010095 /nfs/dbraw/zinc/01/00/95/432010095.db2.gz KMWFYTCGLLCPAV-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1F ZINC000103473729 432010097 /nfs/dbraw/zinc/01/00/97/432010097.db2.gz KMWFYTCGLLCPAV-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000177910791 186202721 /nfs/dbraw/zinc/20/27/21/186202721.db2.gz ZIYUJDDTZUNOGR-NSHDSACASA-N 2 2 313.430 3.191 10 0 DGAELP CCc1[nH+]c(-c2ccc(F)cc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685292 191341496 /nfs/dbraw/zinc/34/14/96/191341496.db2.gz OJJNNSUSHJMGJJ-HNNXBMFYSA-N 2 2 314.408 3.317 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(COC)c2)C1 ZINC000179214287 432050889 /nfs/dbraw/zinc/05/08/89/432050889.db2.gz CAPZSRCGVGJQCM-GOSISDBHSA-N 2 2 313.445 3.429 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000179214287 432050891 /nfs/dbraw/zinc/05/08/91/432050891.db2.gz CAPZSRCGVGJQCM-GOSISDBHSA-N 2 2 313.445 3.429 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000180127812 199120491 /nfs/dbraw/zinc/12/04/91/199120491.db2.gz APXZAFJXQRHYDX-ZDUSSCGKSA-N 2 2 309.335 3.273 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000180127812 199120493 /nfs/dbraw/zinc/12/04/93/199120493.db2.gz APXZAFJXQRHYDX-ZDUSSCGKSA-N 2 2 309.335 3.273 10 0 DGAELP Cc1csc([C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000179962882 432075827 /nfs/dbraw/zinc/07/58/27/432075827.db2.gz QEIVIISRQZKARL-CQSZACIVSA-N 2 2 312.442 3.479 10 0 DGAELP Cc1csc([C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000179962882 432075828 /nfs/dbraw/zinc/07/58/28/432075828.db2.gz QEIVIISRQZKARL-CQSZACIVSA-N 2 2 312.442 3.479 10 0 DGAELP CCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000180669396 199194619 /nfs/dbraw/zinc/19/46/19/199194619.db2.gz QNXMPMRNKABJAL-QWHCGFSZSA-N 2 2 311.389 3.230 10 0 DGAELP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180667829 199193417 /nfs/dbraw/zinc/19/34/17/199193417.db2.gz WKIGXVZEKIFQJQ-UZLBHIALSA-N 2 2 321.424 3.127 10 0 DGAELP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180667797 199193482 /nfs/dbraw/zinc/19/34/82/199193482.db2.gz WKIGXVZEKIFQJQ-OXQOHEQNSA-N 2 2 321.424 3.127 10 0 DGAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180135976 432079428 /nfs/dbraw/zinc/07/94/28/432079428.db2.gz PDOSCKHSILURDX-INIZCTEOSA-N 2 2 309.417 3.022 10 0 DGAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180135976 432079429 /nfs/dbraw/zinc/07/94/29/432079429.db2.gz PDOSCKHSILURDX-INIZCTEOSA-N 2 2 309.417 3.022 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424314 432086526 /nfs/dbraw/zinc/08/65/26/432086526.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424314 432086529 /nfs/dbraw/zinc/08/65/29/432086529.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424314 432086531 /nfs/dbraw/zinc/08/65/31/432086531.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424314 432086534 /nfs/dbraw/zinc/08/65/34/432086534.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 2 318.490 3.063 10 0 DGAELP COc1cccc2c(N3CCC[C@@H]3Cn3cc[nH+]c3C)cc[nH+]c12 ZINC000193485830 201060710 /nfs/dbraw/zinc/06/07/10/201060710.db2.gz CEDBIUKMQORYIB-OAHLLOKOSA-N 2 2 322.412 3.417 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412812 201221739 /nfs/dbraw/zinc/22/17/39/201221739.db2.gz DEKLYUMNEPOZNT-CHWSQXEVSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@H+]1C ZINC000194412812 201221743 /nfs/dbraw/zinc/22/17/43/201221743.db2.gz DEKLYUMNEPOZNT-CHWSQXEVSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412812 201221745 /nfs/dbraw/zinc/22/17/45/201221745.db2.gz DEKLYUMNEPOZNT-CHWSQXEVSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412812 201221748 /nfs/dbraw/zinc/22/17/48/201221748.db2.gz DEKLYUMNEPOZNT-CHWSQXEVSA-N 2 2 305.447 3.318 10 0 DGAELP Cc1[nH+]c2c(n1[C@@H]1CCN(c3[nH]c4ccccc4[nH+]3)C1)CCCC2 ZINC000275523428 212392897 /nfs/dbraw/zinc/39/28/97/212392897.db2.gz YGHQNHNASXEYOJ-CQSZACIVSA-N 2 2 321.428 3.398 10 0 DGAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000449084559 240008726 /nfs/dbraw/zinc/00/87/26/240008726.db2.gz IANCNPQYDKEKOO-OAHLLOKOSA-N 2 2 315.486 3.328 10 0 DGAELP C[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)C[NH+]1CCOCC1 ZINC000449164506 240046211 /nfs/dbraw/zinc/04/62/11/240046211.db2.gz QFMFNDDLHHUOSS-JTQLQIEISA-N 2 2 323.289 3.113 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246221477 432109298 /nfs/dbraw/zinc/10/92/98/432109298.db2.gz DNXHWTQUKRTMIT-GDBMZVCRSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246221477 432109301 /nfs/dbraw/zinc/10/93/01/432109301.db2.gz DNXHWTQUKRTMIT-GDBMZVCRSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643795 193281705 /nfs/dbraw/zinc/28/17/05/193281705.db2.gz GZFRBYJSOOXAEN-YPMHNXCESA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000093643795 193281706 /nfs/dbraw/zinc/28/17/06/193281706.db2.gz GZFRBYJSOOXAEN-YPMHNXCESA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643795 193281707 /nfs/dbraw/zinc/28/17/07/193281707.db2.gz GZFRBYJSOOXAEN-YPMHNXCESA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643795 193281708 /nfs/dbraw/zinc/28/17/08/193281708.db2.gz GZFRBYJSOOXAEN-YPMHNXCESA-N 2 2 316.367 3.342 10 0 DGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267520933 206121152 /nfs/dbraw/zinc/12/11/52/206121152.db2.gz NPJOMYKSTUBDLN-FUHWJXTLSA-N 2 2 312.461 3.046 10 0 DGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267520933 206121155 /nfs/dbraw/zinc/12/11/55/206121155.db2.gz NPJOMYKSTUBDLN-FUHWJXTLSA-N 2 2 312.461 3.046 10 0 DGAELP CCc1nc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cc(C)[nH+]1 ZINC000284504024 218055288 /nfs/dbraw/zinc/05/52/88/218055288.db2.gz ILQUHVKVYRIHAR-OAHLLOKOSA-N 2 2 311.433 3.291 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000105922594 194170203 /nfs/dbraw/zinc/17/02/03/194170203.db2.gz ZJJJSKLLABIYRT-QGZVFWFLSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000105922594 194170205 /nfs/dbraw/zinc/17/02/05/194170205.db2.gz ZJJJSKLLABIYRT-QGZVFWFLSA-N 2 2 323.444 3.239 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384415 253102362 /nfs/dbraw/zinc/10/23/62/253102362.db2.gz KLZLDZXEMKSNFE-CABCVRRESA-N 2 2 305.491 3.152 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384415 253102365 /nfs/dbraw/zinc/10/23/65/253102365.db2.gz KLZLDZXEMKSNFE-CABCVRRESA-N 2 2 305.491 3.152 10 0 DGAELP Fc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000120356252 195150164 /nfs/dbraw/zinc/15/01/64/195150164.db2.gz GELNMLHGUUDESV-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000120356252 195150167 /nfs/dbraw/zinc/15/01/67/195150167.db2.gz GELNMLHGUUDESV-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000121724459 195335349 /nfs/dbraw/zinc/33/53/49/195335349.db2.gz YRMNJRJKRZRSKY-DEYYWGMASA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000121724459 195335352 /nfs/dbraw/zinc/33/53/52/195335352.db2.gz YRMNJRJKRZRSKY-DEYYWGMASA-N 2 2 303.450 3.024 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000121784230 195346816 /nfs/dbraw/zinc/34/68/16/195346816.db2.gz VGZKRWOEVREESX-UHFFFAOYSA-N 2 2 323.362 3.292 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000121803306 195350424 /nfs/dbraw/zinc/35/04/24/195350424.db2.gz DPHVCLJBNMQLMX-UHFFFAOYSA-N 2 2 323.362 3.292 10 0 DGAELP CCn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000121818903 195353719 /nfs/dbraw/zinc/35/37/19/195353719.db2.gz GJALJIFCOZPZCK-IBGZPJMESA-N 2 2 312.461 3.047 10 0 DGAELP CCn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000121818903 195353721 /nfs/dbraw/zinc/35/37/21/195353721.db2.gz GJALJIFCOZPZCK-IBGZPJMESA-N 2 2 312.461 3.047 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398264 533380455 /nfs/dbraw/zinc/38/04/55/533380455.db2.gz UFCYSECBCUXJDW-WTQUMQLASA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398264 533380462 /nfs/dbraw/zinc/38/04/62/533380462.db2.gz UFCYSECBCUXJDW-WTQUMQLASA-N 2 2 322.880 3.180 10 0 DGAELP c1cc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2[nH]1 ZINC000322650746 400175388 /nfs/dbraw/zinc/17/53/88/400175388.db2.gz XIULTAXLULJYTC-UHFFFAOYSA-N 2 2 306.413 3.322 10 0 DGAELP C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328648972 400183831 /nfs/dbraw/zinc/18/38/31/400183831.db2.gz UVCSUQRNOCEMRA-LBPRGKRZSA-N 2 2 307.800 3.370 10 0 DGAELP C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328648972 400183838 /nfs/dbraw/zinc/18/38/38/400183838.db2.gz UVCSUQRNOCEMRA-LBPRGKRZSA-N 2 2 307.800 3.370 10 0 DGAELP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000134480594 400578718 /nfs/dbraw/zinc/57/87/18/400578718.db2.gz CGXCVZLDHPRKRE-CYBMUJFWSA-N 2 2 305.809 3.021 10 0 DGAELP Cc1ccc([C@H](CNc2cc[nH+]cc2C)[NH+]2CCOCC2)s1 ZINC000191980757 400913965 /nfs/dbraw/zinc/91/39/65/400913965.db2.gz WNDQHTHYNLMZDN-INIZCTEOSA-N 2 2 317.458 3.245 10 0 DGAELP Cn1cc[nH+]c1C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000608094078 401186213 /nfs/dbraw/zinc/18/62/13/401186213.db2.gz BBDGWQKCJJSLGY-OAHLLOKOSA-N 2 2 318.384 3.087 10 0 DGAELP c1ccc(C[NH+]2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)nc1 ZINC000358371845 286043902 /nfs/dbraw/zinc/04/39/02/286043902.db2.gz AWIGSDSRBLJELG-FQEVSTJZSA-N 2 2 322.456 3.182 10 0 DGAELP c1cnc2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2n1 ZINC000634986959 401395844 /nfs/dbraw/zinc/39/58/44/401395844.db2.gz IQXDYMIFVGEYLS-KRWDZBQOSA-N 2 2 310.445 3.126 10 0 DGAELP c1cnc2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)ccc2n1 ZINC000634986959 401395845 /nfs/dbraw/zinc/39/58/45/401395845.db2.gz IQXDYMIFVGEYLS-KRWDZBQOSA-N 2 2 310.445 3.126 10 0 DGAELP c1c2ccncc2sc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623728810 401572744 /nfs/dbraw/zinc/57/27/44/401572744.db2.gz BAVGNFUCQJXFEO-OAHLLOKOSA-N 2 2 301.459 3.403 10 0 DGAELP c1c2ccncc2sc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000623728810 401572746 /nfs/dbraw/zinc/57/27/46/401572746.db2.gz BAVGNFUCQJXFEO-OAHLLOKOSA-N 2 2 301.459 3.403 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623895456 401595416 /nfs/dbraw/zinc/59/54/16/401595416.db2.gz QYOAWKDGFKWRBO-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623895456 401595418 /nfs/dbraw/zinc/59/54/18/401595418.db2.gz QYOAWKDGFKWRBO-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187761031 165103774 /nfs/dbraw/zinc/10/37/74/165103774.db2.gz CLUHNKGVXSINRQ-KRWDZBQOSA-N 2 2 324.472 3.143 10 0 DGAELP Cc1cc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)s1 ZINC000195028571 165359804 /nfs/dbraw/zinc/35/98/04/165359804.db2.gz WGZGQVVJJZSKMW-ZDUSSCGKSA-N 2 2 308.491 3.050 10 0 DGAELP Cc1cc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C)s1 ZINC000195028571 165359805 /nfs/dbraw/zinc/35/98/05/165359805.db2.gz WGZGQVVJJZSKMW-ZDUSSCGKSA-N 2 2 308.491 3.050 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246809875 432169115 /nfs/dbraw/zinc/16/91/15/432169115.db2.gz ACJYZDPAHZMIEH-WQANXHIZSA-N 2 2 311.429 3.481 10 0 DGAELP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000246853192 432173081 /nfs/dbraw/zinc/17/30/81/432173081.db2.gz CHCVLKOTCNMGLZ-WFASDCNBSA-N 2 2 320.462 3.020 10 0 DGAELP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000246853192 432173084 /nfs/dbraw/zinc/17/30/84/432173084.db2.gz CHCVLKOTCNMGLZ-WFASDCNBSA-N 2 2 320.462 3.020 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247056895 432198329 /nfs/dbraw/zinc/19/83/29/432198329.db2.gz WAMCDWQNBQXUBG-GXTWGEPZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247056895 432198334 /nfs/dbraw/zinc/19/83/34/432198334.db2.gz WAMCDWQNBQXUBG-GXTWGEPZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247056895 432198322 /nfs/dbraw/zinc/19/83/22/432198322.db2.gz WAMCDWQNBQXUBG-GXTWGEPZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247056895 432198326 /nfs/dbraw/zinc/19/83/26/432198326.db2.gz WAMCDWQNBQXUBG-GXTWGEPZSA-N 2 2 323.868 3.001 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCC3=CCCC3)c12 ZINC000133270508 196326274 /nfs/dbraw/zinc/32/62/74/196326274.db2.gz YEEBMTDUAILXQE-UHFFFAOYSA-N 2 2 306.373 3.123 10 0 DGAELP COc1cccc2c(N[C@@H]3CCc4[nH+]c(C)cn4C3)c(C)c[nH+]c12 ZINC000302664591 230338272 /nfs/dbraw/zinc/33/82/72/230338272.db2.gz PRORGFSCNXKFSG-CQSZACIVSA-N 2 2 322.412 3.484 10 0 DGAELP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151473763 432249358 /nfs/dbraw/zinc/24/93/58/432249358.db2.gz FJSPKYXOWYKOFB-KRWDZBQOSA-N 2 2 308.360 3.184 10 0 DGAELP c1[nH+]c([C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)n2c1CCCC2 ZINC000281843962 275075771 /nfs/dbraw/zinc/07/57/71/275075771.db2.gz IZVNJGLAYUANFY-CQSZACIVSA-N 2 2 321.428 3.480 10 0 DGAELP Brc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058270 275369037 /nfs/dbraw/zinc/36/90/37/275369037.db2.gz VHZIDBGEHUOBJZ-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058270 275369038 /nfs/dbraw/zinc/36/90/38/275369038.db2.gz VHZIDBGEHUOBJZ-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP Clc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042454 279292487 /nfs/dbraw/zinc/29/24/87/279292487.db2.gz GKYUJOBEQMLTAK-HNNXBMFYSA-N 2 2 304.825 3.105 10 0 DGAELP Clc1ccc2[nH]c([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042454 279292488 /nfs/dbraw/zinc/29/24/88/279292488.db2.gz GKYUJOBEQMLTAK-HNNXBMFYSA-N 2 2 304.825 3.105 10 0 DGAELP Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112074159 431245934 /nfs/dbraw/zinc/24/59/34/431245934.db2.gz ALUXWNKRHWNSIR-HNNXBMFYSA-N 2 2 311.433 3.133 10 0 DGAELP CC(C)c1nc(NCc2ccc(F)c(C[NH+](C)C)c2)cc[nH+]1 ZINC000115518918 431456267 /nfs/dbraw/zinc/45/62/67/431456267.db2.gz TVTXNZSRVSPMQS-UHFFFAOYSA-N 2 2 302.397 3.413 10 0 DGAELP Cc1cccc(NC[C@@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)[nH+]1 ZINC000116260631 431499686 /nfs/dbraw/zinc/49/96/86/431499686.db2.gz SDKHYECVCJVWGB-HNNXBMFYSA-N 2 2 323.444 3.304 10 0 DGAELP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)CCC(C)C)n1-c1ccccc1 ZINC000084046477 431813166 /nfs/dbraw/zinc/81/31/66/431813166.db2.gz AURGHORJLLNLBK-IBGZPJMESA-N 2 2 315.461 3.458 10 0 DGAELP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)CCC(C)C)n1-c1ccccc1 ZINC000084046474 431813310 /nfs/dbraw/zinc/81/33/10/431813310.db2.gz AURGHORJLLNLBK-LJQANCHMSA-N 2 2 315.461 3.458 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000081096663 431782185 /nfs/dbraw/zinc/78/21/85/431782185.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 3 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000081096663 431782189 /nfs/dbraw/zinc/78/21/89/431782189.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 3 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000081096663 431782192 /nfs/dbraw/zinc/78/21/92/431782192.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 3 2 312.461 3.034 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123100793 431855080 /nfs/dbraw/zinc/85/50/80/431855080.db2.gz PXWHKYYEGJVGDH-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2csc(Br)c2)CC[N@H+]1C ZINC000123100793 431855082 /nfs/dbraw/zinc/85/50/82/431855082.db2.gz PXWHKYYEGJVGDH-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123100793 431855085 /nfs/dbraw/zinc/85/50/85/431855085.db2.gz PXWHKYYEGJVGDH-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123100793 431855086 /nfs/dbraw/zinc/85/50/86/431855086.db2.gz PXWHKYYEGJVGDH-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139163 431856766 /nfs/dbraw/zinc/85/67/66/431856766.db2.gz FOHLXXKNBASKDC-ZIAGYGMSSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000123139163 431856768 /nfs/dbraw/zinc/85/67/68/431856768.db2.gz FOHLXXKNBASKDC-ZIAGYGMSSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139163 431856771 /nfs/dbraw/zinc/85/67/71/431856771.db2.gz FOHLXXKNBASKDC-ZIAGYGMSSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139163 431856772 /nfs/dbraw/zinc/85/67/72/431856772.db2.gz FOHLXXKNBASKDC-ZIAGYGMSSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173691 431857196 /nfs/dbraw/zinc/85/71/96/431857196.db2.gz CDPXLWOYTYVJCG-OCCSQVGLSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000123173691 431857198 /nfs/dbraw/zinc/85/71/98/431857198.db2.gz CDPXLWOYTYVJCG-OCCSQVGLSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173691 431857200 /nfs/dbraw/zinc/85/72/00/431857200.db2.gz CDPXLWOYTYVJCG-OCCSQVGLSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173691 431857203 /nfs/dbraw/zinc/85/72/03/431857203.db2.gz CDPXLWOYTYVJCG-OCCSQVGLSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1N(C)C ZINC000093942427 431918449 /nfs/dbraw/zinc/91/84/49/431918449.db2.gz BEMSBIWFTQNECG-INIZCTEOSA-N 2 2 324.472 3.467 10 0 DGAELP c1ccc(N2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000124345522 431890805 /nfs/dbraw/zinc/89/08/05/431890805.db2.gz VVOVMKHSILBEEX-IBGZPJMESA-N 2 2 307.441 3.198 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217490 432275343 /nfs/dbraw/zinc/27/53/43/432275343.db2.gz ZWXMLXZLNHZMQJ-IAGOWNOFSA-N 2 2 311.429 3.258 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217490 432275346 /nfs/dbraw/zinc/27/53/46/432275346.db2.gz ZWXMLXZLNHZMQJ-IAGOWNOFSA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217490 432275350 /nfs/dbraw/zinc/27/53/50/432275350.db2.gz ZWXMLXZLNHZMQJ-IAGOWNOFSA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)o3)CC[C@H]21 ZINC000248217490 432275352 /nfs/dbraw/zinc/27/53/52/432275352.db2.gz ZWXMLXZLNHZMQJ-IAGOWNOFSA-N 2 2 311.429 3.258 10 0 DGAELP c1cn(CCC[NH+]2CCC(CN3CCc4ccccc43)CC2)c[nH+]1 ZINC000183177525 432264466 /nfs/dbraw/zinc/26/44/66/432264466.db2.gz SEDLOTTYLZMCSB-UHFFFAOYSA-N 2 2 324.472 3.048 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000248059869 432265200 /nfs/dbraw/zinc/26/52/00/432265200.db2.gz YBIIYACWDMFPDJ-JTDSTZFVSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000248059869 432265205 /nfs/dbraw/zinc/26/52/05/432265205.db2.gz YBIIYACWDMFPDJ-JTDSTZFVSA-N 2 2 310.445 3.038 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000192009384 432323390 /nfs/dbraw/zinc/32/33/90/432323390.db2.gz PMANJPNCOMGLGL-GJZGRUSLSA-N 2 2 321.465 3.203 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000192009384 432323392 /nfs/dbraw/zinc/32/33/92/432323392.db2.gz PMANJPNCOMGLGL-GJZGRUSLSA-N 2 2 321.465 3.203 10 0 DGAELP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192287490 432354314 /nfs/dbraw/zinc/35/43/14/432354314.db2.gz OKYNBGRGBMBCMF-IYBDPMFKSA-N 2 2 313.445 3.442 10 0 DGAELP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192287490 432354317 /nfs/dbraw/zinc/35/43/17/432354317.db2.gz OKYNBGRGBMBCMF-IYBDPMFKSA-N 2 2 313.445 3.442 10 0 DGAELP Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000174921143 432380832 /nfs/dbraw/zinc/38/08/32/432380832.db2.gz GXSJHEJAJMYJJL-HOTGVXAUSA-N 2 2 311.433 3.132 10 0 DGAELP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000153269210 432396004 /nfs/dbraw/zinc/39/60/04/432396004.db2.gz AQBPRLZDRVUTTH-SJORKVTESA-N 2 2 320.477 3.093 10 0 DGAELP CO[C@@H](C)c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000175096899 432397064 /nfs/dbraw/zinc/39/70/64/432397064.db2.gz FXJRMXWKHKCPRC-AWEZNQCLSA-N 2 2 323.506 3.158 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000261753604 432447218 /nfs/dbraw/zinc/44/72/18/432447218.db2.gz CJBJBSZWVLJMOZ-SCTDSRPQSA-N 2 2 302.462 3.065 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000261753604 432447221 /nfs/dbraw/zinc/44/72/21/432447221.db2.gz CJBJBSZWVLJMOZ-SCTDSRPQSA-N 2 2 302.462 3.065 10 0 DGAELP Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000192774780 432412480 /nfs/dbraw/zinc/41/24/80/432412480.db2.gz PCTPTMMUTALUSQ-ZIAGYGMSSA-N 2 2 323.400 3.088 10 0 DGAELP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2[nH+]1 ZINC000262681646 432498540 /nfs/dbraw/zinc/49/85/40/432498540.db2.gz WDIXAFWTODQKQN-OLZOCXBDSA-N 2 2 314.433 3.362 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000178290032 432717013 /nfs/dbraw/zinc/71/70/13/432717013.db2.gz FWMLPJOXDMAOIJ-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000178290032 432717020 /nfs/dbraw/zinc/71/70/20/432717020.db2.gz FWMLPJOXDMAOIJ-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP C[C@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162951007 432839113 /nfs/dbraw/zinc/83/91/13/432839113.db2.gz DKCBCDFUYOQJOH-SWLSCSKDSA-N 2 2 308.389 3.201 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498122 432783927 /nfs/dbraw/zinc/78/39/27/432783927.db2.gz CKYMJWIJTPSYOL-CMPLNLGQSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498122 432783930 /nfs/dbraw/zinc/78/39/30/432783930.db2.gz CKYMJWIJTPSYOL-CMPLNLGQSA-N 2 2 315.230 3.147 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782705 432863316 /nfs/dbraw/zinc/86/33/16/432863316.db2.gz UOAKFGXKTCORNF-HNAYVOBHSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782705 432863319 /nfs/dbraw/zinc/86/33/19/432863319.db2.gz UOAKFGXKTCORNF-HNAYVOBHSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782705 432863321 /nfs/dbraw/zinc/86/33/21/432863321.db2.gz UOAKFGXKTCORNF-HNAYVOBHSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782705 432863323 /nfs/dbraw/zinc/86/33/23/432863323.db2.gz UOAKFGXKTCORNF-HNAYVOBHSA-N 2 2 312.461 3.239 10 0 DGAELP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245813733 432864530 /nfs/dbraw/zinc/86/45/30/432864530.db2.gz CUVRWEZHSDYFHM-CVEARBPZSA-N 2 2 313.445 3.444 10 0 DGAELP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245813733 432864532 /nfs/dbraw/zinc/86/45/32/432864532.db2.gz CUVRWEZHSDYFHM-CVEARBPZSA-N 2 2 313.445 3.444 10 0 DGAELP CC1(C)[C@H]([NH2+]CCCCNc2cccc[nH+]2)[C@H]2CCCO[C@H]21 ZINC000245934512 432871399 /nfs/dbraw/zinc/87/13/99/432871399.db2.gz SYHXNTOOHTXFGC-DJIMGWMZSA-N 2 2 303.450 3.067 10 0 DGAELP COC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245586152 432848458 /nfs/dbraw/zinc/84/84/58/432848458.db2.gz JLAVALAPDWOAFH-RBOXIYTFSA-N 2 2 314.832 3.096 10 0 DGAELP COC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245586152 432848460 /nfs/dbraw/zinc/84/84/60/432848460.db2.gz JLAVALAPDWOAFH-RBOXIYTFSA-N 2 2 314.832 3.096 10 0 DGAELP COc1ccc(OC)c(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)c1 ZINC000163349145 432851427 /nfs/dbraw/zinc/85/14/27/432851427.db2.gz CLCVAIFTJWLUFB-INIZCTEOSA-N 2 2 318.461 3.153 10 0 DGAELP COc1ccc(OC)c(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)c1 ZINC000163349145 432851429 /nfs/dbraw/zinc/85/14/29/432851429.db2.gz CLCVAIFTJWLUFB-INIZCTEOSA-N 2 2 318.461 3.153 10 0 DGAELP COc1ccc(OC)c(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)c1 ZINC000163349145 432851431 /nfs/dbraw/zinc/85/14/31/432851431.db2.gz CLCVAIFTJWLUFB-INIZCTEOSA-N 2 2 318.461 3.153 10 0 DGAELP COc1ccc(OC)c(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)c1 ZINC000163349145 432851434 /nfs/dbraw/zinc/85/14/34/432851434.db2.gz CLCVAIFTJWLUFB-INIZCTEOSA-N 2 2 318.461 3.153 10 0 DGAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000245626407 432851827 /nfs/dbraw/zinc/85/18/27/432851827.db2.gz PANKHSHIWKOTOF-MOPGFXCFSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000245626407 432851830 /nfs/dbraw/zinc/85/18/30/432851830.db2.gz PANKHSHIWKOTOF-MOPGFXCFSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000245626407 432851833 /nfs/dbraw/zinc/85/18/33/432851833.db2.gz PANKHSHIWKOTOF-MOPGFXCFSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000245626407 432851835 /nfs/dbraw/zinc/85/18/35/432851835.db2.gz PANKHSHIWKOTOF-MOPGFXCFSA-N 3 2 307.526 3.059 10 0 DGAELP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000372899202 433054966 /nfs/dbraw/zinc/05/49/66/433054966.db2.gz YRZDRALZJZTIOF-UHFFFAOYSA-N 2 2 314.473 3.166 10 0 DGAELP CC(=O)c1ccc2c(c1)CC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000372899202 433054971 /nfs/dbraw/zinc/05/49/71/433054971.db2.gz YRZDRALZJZTIOF-UHFFFAOYSA-N 2 2 314.473 3.166 10 0 DGAELP c1cn(CC[NH2+][C@H](COCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000341851137 433315964 /nfs/dbraw/zinc/31/59/64/433315964.db2.gz FQWMJUOUTZPEOX-HXUWFJFHSA-N 2 2 321.424 3.431 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375673108 433524521 /nfs/dbraw/zinc/52/45/21/433524521.db2.gz OYZLDANIMJIVRD-SFHVURJKSA-N 2 2 307.401 3.241 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375673108 433524526 /nfs/dbraw/zinc/52/45/26/433524526.db2.gz OYZLDANIMJIVRD-SFHVURJKSA-N 2 2 307.401 3.241 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2Br)CC[N@@H+]1C ZINC000282272962 433547089 /nfs/dbraw/zinc/54/70/89/433547089.db2.gz ARMNQRXBUYNQKJ-MWLCHTKSSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2Br)CC[N@H+]1C ZINC000282272962 433547095 /nfs/dbraw/zinc/54/70/95/433547095.db2.gz ARMNQRXBUYNQKJ-MWLCHTKSSA-N 2 2 303.269 3.083 10 0 DGAELP Fc1cnccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449023622 433678631 /nfs/dbraw/zinc/67/86/31/433678631.db2.gz SNHXUIASEZVNHL-INIZCTEOSA-N 2 2 305.441 3.309 10 0 DGAELP Fc1cnccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000449023622 433678644 /nfs/dbraw/zinc/67/86/44/433678644.db2.gz SNHXUIASEZVNHL-INIZCTEOSA-N 2 2 305.441 3.309 10 0 DGAELP c1c[nH+]c([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)[nH]1 ZINC000367128661 293028437 /nfs/dbraw/zinc/02/84/37/293028437.db2.gz FBQXUJUPSFYCCK-QGZVFWFLSA-N 2 2 310.445 3.042 10 0 DGAELP c1c[nH+]c([C@@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)[nH]1 ZINC000367128661 293028438 /nfs/dbraw/zinc/02/84/38/293028438.db2.gz FBQXUJUPSFYCCK-QGZVFWFLSA-N 2 2 310.445 3.042 10 0 DGAELP COC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245586148 293035067 /nfs/dbraw/zinc/03/50/67/293035067.db2.gz JLAVALAPDWOAFH-GHJWDPDVSA-N 2 2 314.832 3.096 10 0 DGAELP COC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245586148 293035071 /nfs/dbraw/zinc/03/50/71/293035071.db2.gz JLAVALAPDWOAFH-GHJWDPDVSA-N 2 2 314.832 3.096 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)cc2)c[nH+]1 ZINC000370719386 293185908 /nfs/dbraw/zinc/18/59/08/293185908.db2.gz KXCZCEUYFZYUIN-IBGZPJMESA-N 2 2 318.424 3.332 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](Cc4ccncc4)C3)cc2)c[nH+]1 ZINC000370719386 293185912 /nfs/dbraw/zinc/18/59/12/293185912.db2.gz KXCZCEUYFZYUIN-IBGZPJMESA-N 2 2 318.424 3.332 10 0 DGAELP CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356833758 433724040 /nfs/dbraw/zinc/72/40/40/433724040.db2.gz FNAPAJRUFSOPER-DZGCQCFKSA-N 2 2 322.415 3.054 10 0 DGAELP Cc1ccc(N2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)[nH+]c1 ZINC000301899352 433784514 /nfs/dbraw/zinc/78/45/14/433784514.db2.gz XWMJVNPWGLNVOM-UHFFFAOYSA-N 2 2 307.401 3.347 10 0 DGAELP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(Br)c1)C2 ZINC000310150891 434109026 /nfs/dbraw/zinc/10/90/26/434109026.db2.gz PAJZEJNJZLSGMG-AAEUAGOBSA-N 2 2 315.280 3.071 10 0 DGAELP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(Br)c1)C2 ZINC000310150891 434109034 /nfs/dbraw/zinc/10/90/34/434109034.db2.gz PAJZEJNJZLSGMG-AAEUAGOBSA-N 2 2 315.280 3.071 10 0 DGAELP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)on1 ZINC000310027230 434110165 /nfs/dbraw/zinc/11/01/65/434110165.db2.gz VXPLIKPTNTTWIM-GOSISDBHSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000310027230 434110169 /nfs/dbraw/zinc/11/01/69/434110169.db2.gz VXPLIKPTNTTWIM-GOSISDBHSA-N 2 2 313.445 3.375 10 0 DGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000313267383 434126000 /nfs/dbraw/zinc/12/60/00/434126000.db2.gz SWZVNAKAVHGONL-UHFFFAOYSA-N 2 2 321.424 3.331 10 0 DGAELP c1nc([C@H]2CCCO2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366279272 434379005 /nfs/dbraw/zinc/37/90/05/434379005.db2.gz GVJPVVLSRAEXKW-ZBCRRDGASA-N 2 2 321.490 3.101 10 0 DGAELP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388822828 434336985 /nfs/dbraw/zinc/33/69/85/434336985.db2.gz KVHOHRQKNDCSLT-LLVKDONJSA-N 2 2 317.296 3.331 10 0 DGAELP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388822828 434336994 /nfs/dbraw/zinc/33/69/94/434336994.db2.gz KVHOHRQKNDCSLT-LLVKDONJSA-N 2 2 317.296 3.331 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H]2CCCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016092 434452221 /nfs/dbraw/zinc/45/22/21/434452221.db2.gz QINFTNYRDVVOKH-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H]2CCCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016092 434452229 /nfs/dbraw/zinc/45/22/29/434452229.db2.gz QINFTNYRDVVOKH-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398026004 434452245 /nfs/dbraw/zinc/45/22/45/434452245.db2.gz YJAFIMDCIUDFHS-PKOBYXMFSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398026004 434452253 /nfs/dbraw/zinc/45/22/53/434452253.db2.gz YJAFIMDCIUDFHS-PKOBYXMFSA-N 3 2 303.494 3.148 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000404965371 434525037 /nfs/dbraw/zinc/52/50/37/434525037.db2.gz IFASQVVNMYQASQ-LJQANCHMSA-N 2 2 309.457 3.187 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000404965371 434525046 /nfs/dbraw/zinc/52/50/46/434525046.db2.gz IFASQVVNMYQASQ-LJQANCHMSA-N 2 2 309.457 3.187 10 0 DGAELP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CO2 ZINC000527752945 295125652 /nfs/dbraw/zinc/12/56/52/295125652.db2.gz QWODFPMXNLJAAQ-IBGZPJMESA-N 2 2 312.457 3.459 10 0 DGAELP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CO2 ZINC000527752945 295125654 /nfs/dbraw/zinc/12/56/54/295125654.db2.gz QWODFPMXNLJAAQ-IBGZPJMESA-N 2 2 312.457 3.459 10 0 DGAELP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808042 295134527 /nfs/dbraw/zinc/13/45/27/295134527.db2.gz PIPBIWFDGQXRIG-NVXWUHKLSA-N 2 2 300.446 3.159 10 0 DGAELP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808042 295134528 /nfs/dbraw/zinc/13/45/28/295134528.db2.gz PIPBIWFDGQXRIG-NVXWUHKLSA-N 2 2 300.446 3.159 10 0 DGAELP C/C(=C\c1ccccc1)C[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000371377639 434681130 /nfs/dbraw/zinc/68/11/30/434681130.db2.gz DSLGYZRYRLMWSD-OBGWFSINSA-N 2 2 324.472 3.031 10 0 DGAELP C/C(=C\c1ccccc1)C[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000371377639 434681138 /nfs/dbraw/zinc/68/11/38/434681138.db2.gz DSLGYZRYRLMWSD-OBGWFSINSA-N 2 2 324.472 3.031 10 0 DGAELP Cc1[nH]c(CNC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]c1C ZINC000574414810 434976274 /nfs/dbraw/zinc/97/62/74/434976274.db2.gz WKRZCWAZMVOZCP-SFHVURJKSA-N 2 2 312.461 3.171 10 0 DGAELP Cc1[nH]c(CNC[C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]c1C ZINC000574414810 434976277 /nfs/dbraw/zinc/97/62/77/434976277.db2.gz WKRZCWAZMVOZCP-SFHVURJKSA-N 2 2 312.461 3.171 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000538726237 435518413 /nfs/dbraw/zinc/51/84/13/435518413.db2.gz GGABYHLKTXXLSC-UHFFFAOYSA-N 2 2 313.430 3.241 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)[nH+]1 ZINC000536669680 313778306 /nfs/dbraw/zinc/77/83/06/313778306.db2.gz YRDBQQNHBBSRGJ-UHFFFAOYSA-N 2 2 307.401 3.179 10 0 DGAELP Clc1sc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000565372466 315257376 /nfs/dbraw/zinc/25/73/76/315257376.db2.gz KCIOTLCGTZYSQP-UHFFFAOYSA-N 2 2 323.687 3.349 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)[nH]1 ZINC000577861323 316278548 /nfs/dbraw/zinc/27/85/48/316278548.db2.gz QVCMCNZTACHTQZ-UHFFFAOYSA-N 2 2 319.412 3.246 10 0 DGAELP CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070456202 523821039 /nfs/dbraw/zinc/82/10/39/523821039.db2.gz OJTBKEHWAQPLAI-HNNXBMFYSA-N 2 2 310.445 3.426 10 0 DGAELP C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156629604 525349910 /nfs/dbraw/zinc/34/99/10/525349910.db2.gz VMRBKCSDMDGCEB-SJORKVTESA-N 2 2 312.461 3.397 10 0 DGAELP CCSCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132300493 529189296 /nfs/dbraw/zinc/18/92/96/529189296.db2.gz GKWWJPPEASVXGM-AEFFLSMTSA-N 2 2 306.519 3.425 10 0 DGAELP CCSCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132300493 529189297 /nfs/dbraw/zinc/18/92/97/529189297.db2.gz GKWWJPPEASVXGM-AEFFLSMTSA-N 2 2 306.519 3.425 10 0 DGAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152970624 546006365 /nfs/dbraw/zinc/00/63/65/546006365.db2.gz MXIMREYJUVOPKY-BEFAXECRSA-N 2 2 312.461 3.423 10 0 DGAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152970624 546006370 /nfs/dbraw/zinc/00/63/70/546006370.db2.gz MXIMREYJUVOPKY-BEFAXECRSA-N 2 2 312.461 3.423 10 0 DGAELP C[C@@H]([NH2+]Cc1noc2c1CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666806 546189067 /nfs/dbraw/zinc/18/90/67/546189067.db2.gz OZVKBKKLGWLDAJ-HUUCEWRRSA-N 2 2 317.477 3.296 10 0 DGAELP C[C@@H]([NH2+]Cc1noc2c1CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666806 546189072 /nfs/dbraw/zinc/18/90/72/546189072.db2.gz OZVKBKKLGWLDAJ-HUUCEWRRSA-N 2 2 317.477 3.296 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000398111527 575960808 /nfs/dbraw/zinc/96/08/08/575960808.db2.gz NYOKRQZPXYRHQY-PBHICJAKSA-N 2 2 301.459 3.143 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000398111527 575960811 /nfs/dbraw/zinc/96/08/11/575960811.db2.gz NYOKRQZPXYRHQY-PBHICJAKSA-N 2 2 301.459 3.143 10 0 DGAELP C[C@]1(C[NH2+]C2CCC(C)(O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000702994045 660752070 /nfs/dbraw/zinc/75/20/70/660752070.db2.gz MKOXCZFZXYPNKR-IOJLRTSASA-N 2 2 316.489 3.324 10 0 DGAELP C[C@]1(C[NH2+]C2CCC(C)(O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000702994045 660752071 /nfs/dbraw/zinc/75/20/71/660752071.db2.gz MKOXCZFZXYPNKR-IOJLRTSASA-N 2 2 316.489 3.324 10 0 DGAELP c1sc(C2CC2)nc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000119043974 1200013786 /nfs/dbraw/zinc/01/37/86/1200013786.db2.gz AIBGUUVERKJMJO-UHFFFAOYSA-N 2 2 302.447 3.397 10 0 DGAELP Cc1cccc(C[NH2+]CCC[NH+]2CCCC2)c1Br ZINC000235891109 1202605100 /nfs/dbraw/zinc/60/51/00/1202605100.db2.gz WKULIWVTSAXQEU-UHFFFAOYSA-N 2 2 311.267 3.333 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CCCC[C@H]([NH+]4CCCC4)C3)n2c1 ZINC000092785913 185340854 /nfs/dbraw/zinc/34/08/54/185340854.db2.gz PDTZSZOXOFZAHW-KRWDZBQOSA-N 2 2 312.461 3.093 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000123973253 185863285 /nfs/dbraw/zinc/86/32/85/185863285.db2.gz HMAMNQPWEKUBSC-UHFFFAOYSA-N 2 2 316.367 3.154 10 0 DGAELP CCCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccccc2)[nH+]1 ZINC000070456086 190896548 /nfs/dbraw/zinc/89/65/48/190896548.db2.gz SYRWYNPXQALKIT-UHFFFAOYSA-N 2 2 310.445 3.271 10 0 DGAELP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191831523 186260792 /nfs/dbraw/zinc/26/07/92/186260792.db2.gz DTFZFMCBIAGNBV-KBXCAEBGSA-N 2 2 322.880 3.319 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000313264145 282770749 /nfs/dbraw/zinc/77/07/49/282770749.db2.gz NFEUEQFULCLNJS-CQSZACIVSA-N 2 2 307.850 3.443 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000179542500 432062146 /nfs/dbraw/zinc/06/21/46/432062146.db2.gz WSISJUXTVYUBDG-INIZCTEOSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000179542500 432062147 /nfs/dbraw/zinc/06/21/47/432062147.db2.gz WSISJUXTVYUBDG-INIZCTEOSA-N 2 2 301.438 3.060 10 0 DGAELP CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180665600 199193104 /nfs/dbraw/zinc/19/31/04/199193104.db2.gz OFTDHODZKBQDLZ-ZDUSSCGKSA-N 2 2 311.389 3.230 10 0 DGAELP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180667027 199193159 /nfs/dbraw/zinc/19/31/59/199193159.db2.gz UQHGTDSNRPDFIX-MJGOQNOKSA-N 2 2 321.424 3.422 10 0 DGAELP O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180667027 199193161 /nfs/dbraw/zinc/19/31/61/199193161.db2.gz UQHGTDSNRPDFIX-MJGOQNOKSA-N 2 2 321.424 3.422 10 0 DGAELP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275353521 212287029 /nfs/dbraw/zinc/28/70/29/212287029.db2.gz AHFGTCDSGMPXOA-CUSZFKRNSA-N 2 2 303.450 3.222 10 0 DGAELP Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246271013 432113899 /nfs/dbraw/zinc/11/38/99/432113899.db2.gz AEPKRTZNIGMWBL-HOCLYGCPSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000246271013 432113901 /nfs/dbraw/zinc/11/39/01/432113901.db2.gz AEPKRTZNIGMWBL-HOCLYGCPSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000246271013 432113906 /nfs/dbraw/zinc/11/39/06/432113906.db2.gz AEPKRTZNIGMWBL-HOCLYGCPSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000246271013 432113910 /nfs/dbraw/zinc/11/39/10/432113910.db2.gz AEPKRTZNIGMWBL-HOCLYGCPSA-N 2 2 305.853 3.184 10 0 DGAELP Cc1cccn2c(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c[nH+]c12 ZINC000093636836 193279272 /nfs/dbraw/zinc/27/92/72/193279272.db2.gz NIKXIIDQCMYTDG-SJORKVTESA-N 2 2 312.461 3.090 10 0 DGAELP Cc1cccn2c(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c[nH+]c12 ZINC000093636836 193279275 /nfs/dbraw/zinc/27/92/75/193279275.db2.gz NIKXIIDQCMYTDG-SJORKVTESA-N 2 2 312.461 3.090 10 0 DGAELP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093604637 193272149 /nfs/dbraw/zinc/27/21/49/193272149.db2.gz MOMUTFOSFHJKTH-HNNXBMFYSA-N 2 2 307.507 3.259 10 0 DGAELP CC(C)Cc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000093604637 193272151 /nfs/dbraw/zinc/27/21/51/193272151.db2.gz MOMUTFOSFHJKTH-HNNXBMFYSA-N 2 2 307.507 3.259 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645015 193281804 /nfs/dbraw/zinc/28/18/04/193281804.db2.gz KVFGPPBWRWHDSS-CVEARBPZSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@H+]1C ZINC000093645015 193281805 /nfs/dbraw/zinc/28/18/05/193281805.db2.gz KVFGPPBWRWHDSS-CVEARBPZSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645015 193281806 /nfs/dbraw/zinc/28/18/06/193281806.db2.gz KVFGPPBWRWHDSS-CVEARBPZSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645015 193281807 /nfs/dbraw/zinc/28/18/07/193281807.db2.gz KVFGPPBWRWHDSS-CVEARBPZSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000246478000 432137249 /nfs/dbraw/zinc/13/72/49/432137249.db2.gz FTORQEHLHFGYFQ-VQIMIIECSA-N 2 2 321.428 3.152 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000246478000 432137253 /nfs/dbraw/zinc/13/72/53/432137253.db2.gz FTORQEHLHFGYFQ-VQIMIIECSA-N 2 2 321.428 3.152 10 0 DGAELP CC[C@@]1(C[N@H+](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000062911572 184259438 /nfs/dbraw/zinc/25/94/38/184259438.db2.gz VCHBLHNGJLTECC-OAHLLOKOSA-N 2 2 311.267 3.271 10 0 DGAELP CC[C@@]1(C[N@@H+](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000062911572 184259439 /nfs/dbraw/zinc/25/94/39/184259439.db2.gz VCHBLHNGJLTECC-OAHLLOKOSA-N 2 2 311.267 3.271 10 0 DGAELP c1ccc(N2CCC([NH2+]Cc3ccc4ccccc4n3)CC2)[nH+]c1 ZINC000325588334 285309016 /nfs/dbraw/zinc/30/90/16/285309016.db2.gz QBXOCQGKJRYWCQ-UHFFFAOYSA-N 2 2 318.424 3.388 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000126250195 195823944 /nfs/dbraw/zinc/82/39/44/195823944.db2.gz CWONLZCOUCEJOI-QXAKKESOSA-N 2 2 319.493 3.087 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000126250195 195823946 /nfs/dbraw/zinc/82/39/46/195823946.db2.gz CWONLZCOUCEJOI-QXAKKESOSA-N 2 2 319.493 3.087 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616607036 400183832 /nfs/dbraw/zinc/18/38/32/400183832.db2.gz CLQNLDNASJRMRJ-HNNXBMFYSA-N 2 2 305.422 3.129 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616607036 400183836 /nfs/dbraw/zinc/18/38/36/400183836.db2.gz CLQNLDNASJRMRJ-HNNXBMFYSA-N 2 2 305.422 3.129 10 0 DGAELP CCOC[C@](C)(C[NH3+])[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306847639 400127799 /nfs/dbraw/zinc/12/77/99/400127799.db2.gz KDYRGEFYJFIMAH-FQEVSTJZSA-N 2 2 312.457 3.443 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ncccc2c1 ZINC000616681295 400201545 /nfs/dbraw/zinc/20/15/45/400201545.db2.gz WZBZQQUBHFWFJK-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc2ncccc2c1 ZINC000616681295 400201550 /nfs/dbraw/zinc/20/15/50/400201550.db2.gz WZBZQQUBHFWFJK-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301909 286025519 /nfs/dbraw/zinc/02/55/19/286025519.db2.gz PPRWXQUMEIRTTQ-VYDXJSESSA-N 2 2 323.431 3.460 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301909 286025521 /nfs/dbraw/zinc/02/55/21/286025521.db2.gz PPRWXQUMEIRTTQ-VYDXJSESSA-N 2 2 323.431 3.460 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358301906 286025211 /nfs/dbraw/zinc/02/52/11/286025211.db2.gz PPRWXQUMEIRTTQ-BFYDXBDKSA-N 2 2 323.431 3.460 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358301906 286025213 /nfs/dbraw/zinc/02/52/13/286025213.db2.gz PPRWXQUMEIRTTQ-BFYDXBDKSA-N 2 2 323.431 3.460 10 0 DGAELP Cc1ncsc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608075300 401180653 /nfs/dbraw/zinc/18/06/53/401180653.db2.gz VBSIBPDVNUAWIB-OAHLLOKOSA-N 2 2 312.442 3.259 10 0 DGAELP c1ccc(COCc2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)cc1 ZINC000634995902 401397408 /nfs/dbraw/zinc/39/74/08/401397408.db2.gz SGBGMEXSUWUNKB-UHFFFAOYSA-N 2 2 322.452 3.245 10 0 DGAELP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000094969957 545861184 /nfs/dbraw/zinc/86/11/84/545861184.db2.gz WZOAHQILMXEQCO-KBPBESRZSA-N 2 2 307.507 3.405 10 0 DGAELP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000094969957 545861190 /nfs/dbraw/zinc/86/11/90/545861190.db2.gz WZOAHQILMXEQCO-KBPBESRZSA-N 2 2 307.507 3.405 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702647 165101323 /nfs/dbraw/zinc/10/13/23/165101323.db2.gz ZSGFZNSUZIPNCK-PKOBYXMFSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702647 165101324 /nfs/dbraw/zinc/10/13/24/165101324.db2.gz ZSGFZNSUZIPNCK-PKOBYXMFSA-N 2 2 304.478 3.446 10 0 DGAELP FC(F)Oc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188419117 165123058 /nfs/dbraw/zinc/12/30/58/165123058.db2.gz MBIJJDCERMPINE-CQSZACIVSA-N 2 2 307.344 3.149 10 0 DGAELP FC(F)Oc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188419117 165123062 /nfs/dbraw/zinc/12/30/62/165123062.db2.gz MBIJJDCERMPINE-CQSZACIVSA-N 2 2 307.344 3.149 10 0 DGAELP CC(C)c1noc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733845 165354441 /nfs/dbraw/zinc/35/44/41/165354441.db2.gz BELQWCVMNYGGBZ-AWEZNQCLSA-N 2 2 306.454 3.062 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000171614893 432151885 /nfs/dbraw/zinc/15/18/85/432151885.db2.gz CPZOWUOQPWJLAF-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000171614893 432151889 /nfs/dbraw/zinc/15/18/89/432151889.db2.gz CPZOWUOQPWJLAF-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP Cc1ccc2[nH+]cc(C[NH2+]CCc3cc(C)c(O)c(C)c3)n2c1 ZINC000190396289 432152676 /nfs/dbraw/zinc/15/26/76/432152676.db2.gz XLWCMUSHIMLACB-UHFFFAOYSA-N 2 2 309.413 3.297 10 0 DGAELP COc1ccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644993 432155164 /nfs/dbraw/zinc/15/51/64/432155164.db2.gz CZVNJYCCFKVSCV-QGZVFWFLSA-N 2 2 311.429 3.067 10 0 DGAELP COc1ccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644993 432155168 /nfs/dbraw/zinc/15/51/68/432155168.db2.gz CZVNJYCCFKVSCV-QGZVFWFLSA-N 2 2 311.429 3.067 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)o1 ZINC000190458642 432158716 /nfs/dbraw/zinc/15/87/16/432158716.db2.gz ARCKMZPLHIDBKP-OAHLLOKOSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)o1 ZINC000190458642 432158719 /nfs/dbraw/zinc/15/87/19/432158719.db2.gz ARCKMZPLHIDBKP-OAHLLOKOSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190458642 432158721 /nfs/dbraw/zinc/15/87/21/432158721.db2.gz ARCKMZPLHIDBKP-OAHLLOKOSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190458642 432158724 /nfs/dbraw/zinc/15/87/24/432158724.db2.gz ARCKMZPLHIDBKP-OAHLLOKOSA-N 2 2 319.474 3.307 10 0 DGAELP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246900658 432177434 /nfs/dbraw/zinc/17/74/34/432177434.db2.gz RKQCVWQPMVJYBY-YJBOKZPZSA-N 2 2 318.436 3.283 10 0 DGAELP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246900658 432177439 /nfs/dbraw/zinc/17/74/39/432177439.db2.gz RKQCVWQPMVJYBY-YJBOKZPZSA-N 2 2 318.436 3.283 10 0 DGAELP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246900658 432177440 /nfs/dbraw/zinc/17/74/40/432177440.db2.gz RKQCVWQPMVJYBY-YJBOKZPZSA-N 2 2 318.436 3.283 10 0 DGAELP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246900658 432177443 /nfs/dbraw/zinc/17/74/43/432177443.db2.gz RKQCVWQPMVJYBY-YJBOKZPZSA-N 2 2 318.436 3.283 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044212 432195989 /nfs/dbraw/zinc/19/59/89/432195989.db2.gz NWSJHQPZHGEWLB-XJKSGUPXSA-N 2 2 320.868 3.150 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044212 432195993 /nfs/dbraw/zinc/19/59/93/432195993.db2.gz NWSJHQPZHGEWLB-XJKSGUPXSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044212 432195994 /nfs/dbraw/zinc/19/59/94/432195994.db2.gz NWSJHQPZHGEWLB-XJKSGUPXSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044212 432195998 /nfs/dbraw/zinc/19/59/98/432195998.db2.gz NWSJHQPZHGEWLB-XJKSGUPXSA-N 2 2 320.868 3.150 10 0 DGAELP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000131466987 196171922 /nfs/dbraw/zinc/17/19/22/196171922.db2.gz HVPICAIXJYCLQV-MNOVXSKESA-N 2 2 303.233 3.041 10 0 DGAELP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000131466987 196171923 /nfs/dbraw/zinc/17/19/23/196171923.db2.gz HVPICAIXJYCLQV-MNOVXSKESA-N 2 2 303.233 3.041 10 0 DGAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000247264770 432216729 /nfs/dbraw/zinc/21/67/29/432216729.db2.gz XTPJQLABJSNBTD-ZGRYLRDCSA-N 2 2 324.509 3.205 10 0 DGAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000247264770 432216732 /nfs/dbraw/zinc/21/67/32/432216732.db2.gz XTPJQLABJSNBTD-ZGRYLRDCSA-N 2 2 324.509 3.205 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000299740356 229374288 /nfs/dbraw/zinc/37/42/88/229374288.db2.gz YVLDYKAOGSKBSH-CQSZACIVSA-N 2 2 322.412 3.350 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000299740356 229374293 /nfs/dbraw/zinc/37/42/93/229374293.db2.gz YVLDYKAOGSKBSH-CQSZACIVSA-N 2 2 322.412 3.350 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503435 266096095 /nfs/dbraw/zinc/09/60/95/266096095.db2.gz AYPYUKQOBFYXNY-GDBMZVCRSA-N 2 2 310.445 3.088 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503435 266096098 /nfs/dbraw/zinc/09/60/98/266096098.db2.gz AYPYUKQOBFYXNY-GDBMZVCRSA-N 2 2 310.445 3.088 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000247574429 432243235 /nfs/dbraw/zinc/24/32/35/432243235.db2.gz LOJPMIGWQZMMMV-KDOFPFPSSA-N 2 2 321.428 3.218 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000247574429 432243238 /nfs/dbraw/zinc/24/32/38/432243238.db2.gz LOJPMIGWQZMMMV-KDOFPFPSSA-N 2 2 321.428 3.218 10 0 DGAELP c1[nH]nc2c1[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)CCC2 ZINC000367625865 271054653 /nfs/dbraw/zinc/05/46/53/271054653.db2.gz ZJAYCLVLAOIWMY-HKUYNNGSSA-N 2 2 310.445 3.214 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)C2 ZINC000368080469 271130225 /nfs/dbraw/zinc/13/02/25/271130225.db2.gz CWWLMUSSEJMDEB-OAHLLOKOSA-N 2 2 311.429 3.378 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)CC2 ZINC000368080469 271130233 /nfs/dbraw/zinc/13/02/33/271130233.db2.gz CWWLMUSSEJMDEB-OAHLLOKOSA-N 2 2 311.429 3.378 10 0 DGAELP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000163143560 274349462 /nfs/dbraw/zinc/34/94/62/274349462.db2.gz DXGPIJXWBCJNQF-FHLIZLRMSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000163143560 274349464 /nfs/dbraw/zinc/34/94/64/274349464.db2.gz DXGPIJXWBCJNQF-FHLIZLRMSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000163143560 274349466 /nfs/dbraw/zinc/34/94/66/274349466.db2.gz DXGPIJXWBCJNQF-FHLIZLRMSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000163143560 274349467 /nfs/dbraw/zinc/34/94/67/274349467.db2.gz DXGPIJXWBCJNQF-FHLIZLRMSA-N 2 2 306.425 3.072 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192765857 277173604 /nfs/dbraw/zinc/17/36/04/277173604.db2.gz OPSGGHRWQKQORK-FUHWJXTLSA-N 2 2 306.413 3.431 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000192765857 277173605 /nfs/dbraw/zinc/17/36/05/277173605.db2.gz OPSGGHRWQKQORK-FUHWJXTLSA-N 2 2 306.413 3.431 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000122963112 431850558 /nfs/dbraw/zinc/85/05/58/431850558.db2.gz LERANWIYUZWXOO-MRXNPFEDSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000122963112 431850561 /nfs/dbraw/zinc/85/05/61/431850561.db2.gz LERANWIYUZWXOO-MRXNPFEDSA-N 2 2 323.444 3.239 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916189 431851161 /nfs/dbraw/zinc/85/11/61/431851161.db2.gz YOTKABGRFFDVLT-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916189 431851163 /nfs/dbraw/zinc/85/11/63/431851163.db2.gz YOTKABGRFFDVLT-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123029809 431852501 /nfs/dbraw/zinc/85/25/01/431852501.db2.gz WUVGIYAWCOVDOL-HOTGVXAUSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123029809 431852504 /nfs/dbraw/zinc/85/25/04/431852504.db2.gz WUVGIYAWCOVDOL-HOTGVXAUSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123029809 431852505 /nfs/dbraw/zinc/85/25/05/431852505.db2.gz WUVGIYAWCOVDOL-HOTGVXAUSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123029809 431852507 /nfs/dbraw/zinc/85/25/07/431852507.db2.gz WUVGIYAWCOVDOL-HOTGVXAUSA-N 2 2 317.477 3.163 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123100529 431855149 /nfs/dbraw/zinc/85/51/49/431855149.db2.gz ZFXYTRUVXBFDNC-JSGCOSHPSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@H+]1C ZINC000123100529 431855151 /nfs/dbraw/zinc/85/51/51/431855151.db2.gz ZFXYTRUVXBFDNC-JSGCOSHPSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123100529 431855155 /nfs/dbraw/zinc/85/51/55/431855155.db2.gz ZFXYTRUVXBFDNC-JSGCOSHPSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123100529 431855158 /nfs/dbraw/zinc/85/51/58/431855158.db2.gz ZFXYTRUVXBFDNC-JSGCOSHPSA-N 2 2 320.868 3.141 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278659 431861032 /nfs/dbraw/zinc/86/10/32/431861032.db2.gz HWQHOLFAPXEKBC-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278659 431861035 /nfs/dbraw/zinc/86/10/35/431861035.db2.gz HWQHOLFAPXEKBC-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278659 431861040 /nfs/dbraw/zinc/86/10/40/431861040.db2.gz HWQHOLFAPXEKBC-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278659 431861041 /nfs/dbraw/zinc/86/10/41/431861041.db2.gz HWQHOLFAPXEKBC-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123414578 431864332 /nfs/dbraw/zinc/86/43/32/431864332.db2.gz RTEIQUOCISPGRT-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123414578 431864333 /nfs/dbraw/zinc/86/43/33/431864333.db2.gz RTEIQUOCISPGRT-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123414578 431864335 /nfs/dbraw/zinc/86/43/35/431864335.db2.gz RTEIQUOCISPGRT-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123414578 431864336 /nfs/dbraw/zinc/86/43/36/431864336.db2.gz RTEIQUOCISPGRT-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000089427196 431865498 /nfs/dbraw/zinc/86/54/98/431865498.db2.gz NZPNIQMEYDJUOH-ZWKOTPCHSA-N 2 2 302.462 3.323 10 0 DGAELP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000089427196 431865501 /nfs/dbraw/zinc/86/55/01/431865501.db2.gz NZPNIQMEYDJUOH-ZWKOTPCHSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000089427196 431865502 /nfs/dbraw/zinc/86/55/02/431865502.db2.gz NZPNIQMEYDJUOH-ZWKOTPCHSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000089427196 431865505 /nfs/dbraw/zinc/86/55/05/431865505.db2.gz NZPNIQMEYDJUOH-ZWKOTPCHSA-N 2 2 302.462 3.323 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124249344 431887212 /nfs/dbraw/zinc/88/72/12/431887212.db2.gz PNMYSBXYHHDDGR-CQSZACIVSA-N 2 2 311.389 3.016 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124249344 431887214 /nfs/dbraw/zinc/88/72/14/431887214.db2.gz PNMYSBXYHHDDGR-CQSZACIVSA-N 2 2 311.389 3.016 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091318844 431903691 /nfs/dbraw/zinc/90/36/91/431903691.db2.gz KURRMWVSXWVQPC-HKUYNNGSSA-N 2 2 320.477 3.093 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091318844 431903693 /nfs/dbraw/zinc/90/36/93/431903693.db2.gz KURRMWVSXWVQPC-HKUYNNGSSA-N 2 2 320.477 3.093 10 0 DGAELP Clc1ccccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051951939 431953289 /nfs/dbraw/zinc/95/32/89/431953289.db2.gz CWKFAOTZNCNYAY-UHFFFAOYSA-N 2 2 308.853 3.279 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545243 281043750 /nfs/dbraw/zinc/04/37/50/281043750.db2.gz QTHROPXOQYOHKN-NVXWUHKLSA-N 2 2 311.473 3.244 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545243 281043751 /nfs/dbraw/zinc/04/37/51/281043751.db2.gz QTHROPXOQYOHKN-NVXWUHKLSA-N 2 2 311.473 3.244 10 0 DGAELP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000128183085 431988949 /nfs/dbraw/zinc/98/89/49/431988949.db2.gz ALFRTHALVDZOBF-MSOLQXFVSA-N 2 2 312.461 3.209 10 0 DGAELP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000128183085 431988951 /nfs/dbraw/zinc/98/89/51/431988951.db2.gz ALFRTHALVDZOBF-MSOLQXFVSA-N 2 2 312.461 3.209 10 0 DGAELP c1ccc(N2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)[nH+]c1 ZINC000102422426 431993448 /nfs/dbraw/zinc/99/34/48/431993448.db2.gz LCUSBYNBNDKFLW-UHFFFAOYSA-N 2 2 321.424 3.116 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122603 432269776 /nfs/dbraw/zinc/26/97/76/432269776.db2.gz NOWJWKWYVBBIST-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122603 432269780 /nfs/dbraw/zinc/26/97/80/432269780.db2.gz NOWJWKWYVBBIST-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122603 432269783 /nfs/dbraw/zinc/26/97/83/432269783.db2.gz NOWJWKWYVBBIST-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122603 432269786 /nfs/dbraw/zinc/26/97/86/432269786.db2.gz NOWJWKWYVBBIST-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162602 432273078 /nfs/dbraw/zinc/27/30/78/432273078.db2.gz SJFSBPVRJGNVMW-SJLPKXTDSA-N 2 2 311.429 3.258 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162602 432273081 /nfs/dbraw/zinc/27/30/81/432273081.db2.gz SJFSBPVRJGNVMW-SJLPKXTDSA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162602 432273085 /nfs/dbraw/zinc/27/30/85/432273085.db2.gz SJFSBPVRJGNVMW-SJLPKXTDSA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162602 432273088 /nfs/dbraw/zinc/27/30/88/432273088.db2.gz SJFSBPVRJGNVMW-SJLPKXTDSA-N 2 2 311.429 3.258 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664754 432263969 /nfs/dbraw/zinc/26/39/69/432263969.db2.gz SCRGAPXZPTVNLB-DOMZBBRYSA-N 2 2 305.397 3.129 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664754 432263974 /nfs/dbraw/zinc/26/39/74/432263974.db2.gz SCRGAPXZPTVNLB-DOMZBBRYSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664754 432263978 /nfs/dbraw/zinc/26/39/78/432263978.db2.gz SCRGAPXZPTVNLB-DOMZBBRYSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664754 432263983 /nfs/dbraw/zinc/26/39/83/432263983.db2.gz SCRGAPXZPTVNLB-DOMZBBRYSA-N 2 2 305.397 3.129 10 0 DGAELP CCn1cc([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000248928042 432329441 /nfs/dbraw/zinc/32/94/41/432329441.db2.gz XLGXKHASMONYAY-GJYPPUQNSA-N 2 2 312.461 3.074 10 0 DGAELP CCn1cc([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000248928042 432329445 /nfs/dbraw/zinc/32/94/45/432329445.db2.gz XLGXKHASMONYAY-GJYPPUQNSA-N 2 2 312.461 3.074 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000250107183 432363820 /nfs/dbraw/zinc/36/38/20/432363820.db2.gz SGUBLHMPSXVMQG-QXAKKESOSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000250107183 432363826 /nfs/dbraw/zinc/36/38/26/432363826.db2.gz SGUBLHMPSXVMQG-QXAKKESOSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000152946658 432370553 /nfs/dbraw/zinc/37/05/53/432370553.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000152946658 432370556 /nfs/dbraw/zinc/37/05/56/432370556.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000152946658 432370561 /nfs/dbraw/zinc/37/05/61/432370561.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 3 2 315.505 3.113 10 0 DGAELP c1cn2c(cccc2C[NH2+]Cc2nc3ccccc3n2C2CC2)[nH+]1 ZINC000184776859 432431496 /nfs/dbraw/zinc/43/14/96/432431496.db2.gz HXRDCZFPFMQQKA-UHFFFAOYSA-N 2 2 317.396 3.309 10 0 DGAELP C[C@@]1(C[NH3+])CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000261590168 432432562 /nfs/dbraw/zinc/43/25/62/432432562.db2.gz LCADYQSTQIDLCC-AWEZNQCLSA-N 2 2 303.233 3.043 10 0 DGAELP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000261590168 432432566 /nfs/dbraw/zinc/43/25/66/432432566.db2.gz LCADYQSTQIDLCC-AWEZNQCLSA-N 2 2 303.233 3.043 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000175436886 432435202 /nfs/dbraw/zinc/43/52/02/432435202.db2.gz GQPXIBHVBXCESC-LLVKDONJSA-N 2 2 310.854 3.393 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000175436886 432435206 /nfs/dbraw/zinc/43/52/06/432435206.db2.gz GQPXIBHVBXCESC-LLVKDONJSA-N 2 2 310.854 3.393 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000261795892 432451556 /nfs/dbraw/zinc/45/15/56/432451556.db2.gz QWZYUBLFVPRQAK-UHFFFAOYSA-N 2 2 320.383 3.291 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000261795892 432451557 /nfs/dbraw/zinc/45/15/57/432451557.db2.gz QWZYUBLFVPRQAK-UHFFFAOYSA-N 2 2 320.383 3.291 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cnc2ccccc2c1 ZINC000262066082 432471461 /nfs/dbraw/zinc/47/14/61/432471461.db2.gz RRAAFAORFHUGRW-UHFFFAOYSA-N 2 2 305.425 3.238 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cnc2ccccc2c1 ZINC000262066082 432471464 /nfs/dbraw/zinc/47/14/64/432471464.db2.gz RRAAFAORFHUGRW-UHFFFAOYSA-N 2 2 305.425 3.238 10 0 DGAELP COc1ncccc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000193543254 432481853 /nfs/dbraw/zinc/48/18/53/432481853.db2.gz IJJCMMLGLINXRO-AWEZNQCLSA-N 2 2 308.385 3.127 10 0 DGAELP C=Cn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000194425701 432550282 /nfs/dbraw/zinc/55/02/82/432550282.db2.gz GXLSQYJQKQBAFM-IBGZPJMESA-N 2 2 310.445 3.128 10 0 DGAELP C=Cn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000194425701 432550286 /nfs/dbraw/zinc/55/02/86/432550286.db2.gz GXLSQYJQKQBAFM-IBGZPJMESA-N 2 2 310.445 3.128 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178146368 432698526 /nfs/dbraw/zinc/69/85/26/432698526.db2.gz FUHAGRIQGJPGDP-PKOBYXMFSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178146368 432698528 /nfs/dbraw/zinc/69/85/28/432698528.db2.gz FUHAGRIQGJPGDP-PKOBYXMFSA-N 2 2 304.478 3.446 10 0 DGAELP Cc1cnn(CCCCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178310020 432718117 /nfs/dbraw/zinc/71/81/17/432718117.db2.gz ZFYXETXRHBWHGK-GOSISDBHSA-N 2 2 315.465 3.031 10 0 DGAELP Cc1cnn(CCCCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178310020 432718122 /nfs/dbraw/zinc/71/81/22/432718122.db2.gz ZFYXETXRHBWHGK-GOSISDBHSA-N 2 2 315.465 3.031 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C ZINC000178309499 432718642 /nfs/dbraw/zinc/71/86/42/432718642.db2.gz GVSPVUVRIUFOEA-SFHVURJKSA-N 2 2 313.445 3.433 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOc1ccccc1C ZINC000178309499 432718643 /nfs/dbraw/zinc/71/86/43/432718643.db2.gz GVSPVUVRIUFOEA-SFHVURJKSA-N 2 2 313.445 3.433 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245746996 432860200 /nfs/dbraw/zinc/86/02/00/432860200.db2.gz MZTHOLOMDSJABE-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245746996 432860202 /nfs/dbraw/zinc/86/02/02/432860202.db2.gz MZTHOLOMDSJABE-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000245746996 432860205 /nfs/dbraw/zinc/86/02/05/432860205.db2.gz MZTHOLOMDSJABE-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000245746996 432860206 /nfs/dbraw/zinc/86/02/06/432860206.db2.gz MZTHOLOMDSJABE-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP C[C@@H]1c2cccc(Br)c2CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261825133 289072728 /nfs/dbraw/zinc/07/27/28/289072728.db2.gz IPHHCXBFATXVCP-CHWSQXEVSA-N 2 2 323.278 3.368 10 0 DGAELP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261825133 289072730 /nfs/dbraw/zinc/07/27/30/289072730.db2.gz IPHHCXBFATXVCP-CHWSQXEVSA-N 2 2 323.278 3.368 10 0 DGAELP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000453385484 433137878 /nfs/dbraw/zinc/13/78/78/433137878.db2.gz NLMOQMPNKNHLEZ-YJBOKZPZSA-N 2 2 313.445 3.237 10 0 DGAELP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000453385484 433137891 /nfs/dbraw/zinc/13/78/91/433137891.db2.gz NLMOQMPNKNHLEZ-YJBOKZPZSA-N 2 2 313.445 3.237 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ncc[nH]1 ZINC000375839911 433587098 /nfs/dbraw/zinc/58/70/98/433587098.db2.gz NVHSLNUFJGGQIH-KCQAQPDRSA-N 2 2 304.463 3.205 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ncc[nH]1 ZINC000375839911 433587109 /nfs/dbraw/zinc/58/71/09/433587109.db2.gz NVHSLNUFJGGQIH-KCQAQPDRSA-N 2 2 304.463 3.205 10 0 DGAELP c1cn2c(cccc2C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)[nH+]1 ZINC000367398755 293067320 /nfs/dbraw/zinc/06/73/20/293067320.db2.gz AUVOLWINUYJPHP-QZTJIDSGSA-N 2 2 307.397 3.344 10 0 DGAELP c1cc(-c2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)cs1 ZINC000368221532 293105897 /nfs/dbraw/zinc/10/58/97/293105897.db2.gz IKELQOFKIMAWQN-NSHDSACASA-N 2 2 316.455 3.242 10 0 DGAELP c1cc(-c2nc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cs2)cs1 ZINC000368221532 293105900 /nfs/dbraw/zinc/10/59/00/293105900.db2.gz IKELQOFKIMAWQN-NSHDSACASA-N 2 2 316.455 3.242 10 0 DGAELP C[C@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000357615282 434099268 /nfs/dbraw/zinc/09/92/68/434099268.db2.gz CVQMCDVOUUHQLG-CYBMUJFWSA-N 2 2 323.400 3.400 10 0 DGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Br)c1 ZINC000313291421 434126483 /nfs/dbraw/zinc/12/64/83/434126483.db2.gz GQBZSCNGHVHAAD-LLVKDONJSA-N 2 2 308.223 3.076 10 0 DGAELP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccc(Br)c1 ZINC000313266068 434126511 /nfs/dbraw/zinc/12/65/11/434126511.db2.gz PUHKNVGETJAXBR-OAHLLOKOSA-N 2 2 322.250 3.466 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000511031250 294399616 /nfs/dbraw/zinc/39/96/16/294399616.db2.gz PMSQXGPDRFNJED-LSTHTHJFSA-N 2 2 316.489 3.353 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000511031250 294399620 /nfs/dbraw/zinc/39/96/20/294399620.db2.gz PMSQXGPDRFNJED-LSTHTHJFSA-N 2 2 316.489 3.353 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866680 434169575 /nfs/dbraw/zinc/16/95/75/434169575.db2.gz QMOSNAQCEAYTKP-VDZJLULYSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866680 434169588 /nfs/dbraw/zinc/16/95/88/434169588.db2.gz QMOSNAQCEAYTKP-VDZJLULYSA-N 2 2 324.472 3.346 10 0 DGAELP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182734 434266142 /nfs/dbraw/zinc/26/61/42/434266142.db2.gz GYVAVTJHQDNNLV-LSDHHAIUSA-N 2 2 309.251 3.242 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000389159053 434342888 /nfs/dbraw/zinc/34/28/88/434342888.db2.gz AECIEXHZJSOTAO-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000389159053 434342892 /nfs/dbraw/zinc/34/28/92/434342892.db2.gz AECIEXHZJSOTAO-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP c1[nH]cc(C2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)[nH+]1 ZINC000366469944 434426301 /nfs/dbraw/zinc/42/63/01/434426301.db2.gz UMHRVPIKQFYMEH-UHFFFAOYSA-N 2 2 311.429 3.157 10 0 DGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423553647 434485672 /nfs/dbraw/zinc/48/56/72/434485672.db2.gz KOXHZBHFDBIEDF-NHYWBVRUSA-N 2 2 309.251 3.168 10 0 DGAELP C[C@]1(C[NH2+]CC[C@@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000400602645 434492101 /nfs/dbraw/zinc/49/21/01/434492101.db2.gz DPUCHMQHCHZYBN-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@]1(C[NH2+]CC[C@@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000400602645 434492110 /nfs/dbraw/zinc/49/21/10/434492110.db2.gz DPUCHMQHCHZYBN-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527670400 295113098 /nfs/dbraw/zinc/11/30/98/295113098.db2.gz OBRHWMMLZSZTQL-VXGBXAGGSA-N 2 2 317.296 3.473 10 0 DGAELP c1cn(-c2csc(C[N@H+](Cc3ccccn3)C3CC3)c2)c[nH+]1 ZINC000349291382 434662693 /nfs/dbraw/zinc/66/26/93/434662693.db2.gz ZDYGXWFREKWHED-UHFFFAOYSA-N 2 2 310.426 3.493 10 0 DGAELP c1cn(-c2csc(C[N@@H+](Cc3ccccn3)C3CC3)c2)c[nH+]1 ZINC000349291382 434662697 /nfs/dbraw/zinc/66/26/97/434662697.db2.gz ZDYGXWFREKWHED-UHFFFAOYSA-N 2 2 310.426 3.493 10 0 DGAELP Cc1[nH]c(CNC[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]c1C ZINC000574414809 434976813 /nfs/dbraw/zinc/97/68/13/434976813.db2.gz WKRZCWAZMVOZCP-GOSISDBHSA-N 2 2 312.461 3.171 10 0 DGAELP Cc1[nH]c(CNC[C@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]c1C ZINC000574414809 434976820 /nfs/dbraw/zinc/97/68/20/434976820.db2.gz WKRZCWAZMVOZCP-GOSISDBHSA-N 2 2 312.461 3.171 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000513527935 435392999 /nfs/dbraw/zinc/39/29/99/435392999.db2.gz VXWVAQFDELCEIE-UVQBRAAOSA-N 2 2 322.880 3.301 10 0 DGAELP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc(OC2CCCC2)c1 ZINC000530176854 313333855 /nfs/dbraw/zinc/33/38/55/313333855.db2.gz DKWGPUUQTVXGGI-SFHVURJKSA-N 2 2 300.446 3.382 10 0 DGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216915 313341187 /nfs/dbraw/zinc/34/11/87/313341187.db2.gz DIGJOYDVGKGRKK-CABCVRRESA-N 2 2 321.262 3.311 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218278 313341544 /nfs/dbraw/zinc/34/15/44/313341544.db2.gz INKKFMDKJQQLLJ-HKUYNNGSSA-N 2 2 312.457 3.263 10 0 DGAELP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530224174 313343148 /nfs/dbraw/zinc/34/31/48/313343148.db2.gz VAKSGMZXMCNJTQ-HUUCEWRRSA-N 2 2 321.262 3.311 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1F ZINC000530529641 313381167 /nfs/dbraw/zinc/38/11/67/313381167.db2.gz ZOYIOLIFFYXJSR-QAPCUYQASA-N 2 2 313.420 3.221 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1F ZINC000530529641 313381169 /nfs/dbraw/zinc/38/11/69/313381169.db2.gz ZOYIOLIFFYXJSR-QAPCUYQASA-N 2 2 313.420 3.221 10 0 DGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000545158774 314228710 /nfs/dbraw/zinc/22/87/10/314228710.db2.gz MTQKCRSACVGOKH-MRXNPFEDSA-N 2 2 312.461 3.126 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000545158774 314228715 /nfs/dbraw/zinc/22/87/15/314228715.db2.gz MTQKCRSACVGOKH-MRXNPFEDSA-N 2 2 312.461 3.126 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091144 315311981 /nfs/dbraw/zinc/31/19/81/315311981.db2.gz STPVNNRMTKKVRZ-YSIASYRMSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091144 315311982 /nfs/dbraw/zinc/31/19/82/315311982.db2.gz STPVNNRMTKKVRZ-YSIASYRMSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096278 323325107 /nfs/dbraw/zinc/32/51/07/323325107.db2.gz ZJUKGXDMRVYDDT-QAPCUYQASA-N 2 2 318.509 3.382 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000183096278 323325112 /nfs/dbraw/zinc/32/51/12/323325112.db2.gz ZJUKGXDMRVYDDT-QAPCUYQASA-N 2 2 318.509 3.382 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096278 323325118 /nfs/dbraw/zinc/32/51/18/323325118.db2.gz ZJUKGXDMRVYDDT-QAPCUYQASA-N 2 2 318.509 3.382 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096278 323325120 /nfs/dbraw/zinc/32/51/20/323325120.db2.gz ZJUKGXDMRVYDDT-QAPCUYQASA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738643 323393937 /nfs/dbraw/zinc/39/39/37/323393937.db2.gz KUGXNNNCGDUTOR-UONOGXRCSA-N 2 2 318.490 3.138 10 0 DGAELP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738643 323393941 /nfs/dbraw/zinc/39/39/41/323393941.db2.gz KUGXNNNCGDUTOR-UONOGXRCSA-N 2 2 318.490 3.138 10 0 DGAELP [NH3+]CCc1ccccc1-c1c[nH+]cn1CCc1ccc(F)cc1 ZINC000584595032 337373910 /nfs/dbraw/zinc/37/39/10/337373910.db2.gz VCCVJPCQGJOCQL-UHFFFAOYSA-N 2 2 309.388 3.433 10 0 DGAELP CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456215 523821819 /nfs/dbraw/zinc/82/18/19/523821819.db2.gz LTPMRMOXHOLRAQ-CYBMUJFWSA-N 2 2 314.408 3.257 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000163440543 523829497 /nfs/dbraw/zinc/82/94/97/523829497.db2.gz ISIMZLPZGLHBDB-GOEBONIOSA-N 2 2 302.418 3.194 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000163440543 523829502 /nfs/dbraw/zinc/82/95/02/523829502.db2.gz ISIMZLPZGLHBDB-GOEBONIOSA-N 2 2 302.418 3.194 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000163307973 523835232 /nfs/dbraw/zinc/83/52/32/523835232.db2.gz SKBPLXPAQPZATM-NEPJUHHUSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000163307973 523835238 /nfs/dbraw/zinc/83/52/38/523835238.db2.gz SKBPLXPAQPZATM-NEPJUHHUSA-N 2 2 302.871 3.163 10 0 DGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625188 534816135 /nfs/dbraw/zinc/81/61/35/534816135.db2.gz CXSSUXRKVWIVML-KBXCAEBGSA-N 2 2 311.385 3.176 10 0 DGAELP CCSCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132300104 529189113 /nfs/dbraw/zinc/18/91/13/529189113.db2.gz GKWWJPPEASVXGM-SJLPKXTDSA-N 2 2 306.519 3.425 10 0 DGAELP CCSCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132300104 529189115 /nfs/dbraw/zinc/18/91/15/529189115.db2.gz GKWWJPPEASVXGM-SJLPKXTDSA-N 2 2 306.519 3.425 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000136080112 545981083 /nfs/dbraw/zinc/98/10/83/545981083.db2.gz GOPKAIHVPYRULT-OAHLLOKOSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000136080112 545981084 /nfs/dbraw/zinc/98/10/84/545981084.db2.gz GOPKAIHVPYRULT-OAHLLOKOSA-N 2 2 320.234 3.310 10 0 DGAELP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151777953 545996679 /nfs/dbraw/zinc/99/66/79/545996679.db2.gz DQYVKGVOFGIFGT-XLIONFOSSA-N 2 2 316.489 3.130 10 0 DGAELP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151777953 545996685 /nfs/dbraw/zinc/99/66/85/545996685.db2.gz DQYVKGVOFGIFGT-XLIONFOSSA-N 2 2 316.489 3.130 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250396366 546328676 /nfs/dbraw/zinc/32/86/76/546328676.db2.gz ILZIBFYRQLAMHN-GDBMZVCRSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250396366 546328681 /nfs/dbraw/zinc/32/86/81/546328681.db2.gz ILZIBFYRQLAMHN-GDBMZVCRSA-N 2 2 308.853 3.313 10 0 DGAELP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@@]1(C)C[NH3+] ZINC000312248372 546453227 /nfs/dbraw/zinc/45/32/27/546453227.db2.gz FASIFPNJLDXRHR-IAQYHMDHSA-N 2 2 307.488 3.288 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@@]1(C)C[NH3+] ZINC000312248372 546453232 /nfs/dbraw/zinc/45/32/32/546453232.db2.gz FASIFPNJLDXRHR-IAQYHMDHSA-N 2 2 307.488 3.288 10 0 DGAELP c1cn(-c2cc(C[NH2+]Cc3cnc4ccccc4c3)ccn2)c[nH+]1 ZINC000727467818 576126704 /nfs/dbraw/zinc/12/67/04/576126704.db2.gz FEXPGPVSHYQXFX-UHFFFAOYSA-N 2 2 315.380 3.105 10 0 DGAELP c1cn(-c2ncccc2C[NH2+]Cc2cnc3ccccc3c2)c[nH+]1 ZINC000727466540 576126724 /nfs/dbraw/zinc/12/67/24/576126724.db2.gz ZCJIXIUUOVPWSN-UHFFFAOYSA-N 2 2 315.380 3.105 10 0 DGAELP c1cn(C2CC2)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000711744608 660962590 /nfs/dbraw/zinc/96/25/90/660962590.db2.gz DOVPGPQJABDQTQ-SFHVURJKSA-N 2 2 324.472 3.220 10 0 DGAELP c1cn(C2CC2)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000711744608 660962591 /nfs/dbraw/zinc/96/25/91/660962591.db2.gz DOVPGPQJABDQTQ-SFHVURJKSA-N 2 2 324.472 3.220 10 0 DGAELP C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000716244932 661220836 /nfs/dbraw/zinc/22/08/36/661220836.db2.gz BZRCKZOKIGMGIW-IPJUCJBFSA-N 2 2 302.462 3.198 10 0 DGAELP CCCCOC(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189898552 656157989 /nfs/dbraw/zinc/15/79/89/656157989.db2.gz KYHGOJFICGSKPW-HNNXBMFYSA-N 2 2 315.417 3.256 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000720878193 658154517 /nfs/dbraw/zinc/15/45/17/658154517.db2.gz QIGFSFMVHBVYSZ-VXGBXAGGSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000720878193 658154524 /nfs/dbraw/zinc/15/45/24/658154524.db2.gz QIGFSFMVHBVYSZ-VXGBXAGGSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189883509 661995205 /nfs/dbraw/zinc/99/52/05/661995205.db2.gz DMSWBMVJTVDWQY-KXBFYZLASA-N 2 2 307.397 3.257 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H]2CCC=CO2)CCC[N@@H+]1Cc1ccccc1 ZINC000194759099 662173105 /nfs/dbraw/zinc/17/31/05/662173105.db2.gz UWLCRAYGNVJIKX-RBUKOAKNSA-N 2 2 300.446 3.323 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H]2CCC=CO2)CCC[N@H+]1Cc1ccccc1 ZINC000194759099 662173108 /nfs/dbraw/zinc/17/31/08/662173108.db2.gz UWLCRAYGNVJIKX-RBUKOAKNSA-N 2 2 300.446 3.323 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000398007027 685233580 /nfs/dbraw/zinc/23/35/80/685233580.db2.gz YKWXPIKDHURPLB-RTWAWAEBSA-N 2 2 324.468 3.364 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H](O)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000398007027 685233589 /nfs/dbraw/zinc/23/35/89/685233589.db2.gz YKWXPIKDHURPLB-RTWAWAEBSA-N 2 2 324.468 3.364 10 0 DGAELP c1cn2c(cccc2C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[nH+]1 ZINC000328624086 231254798 /nfs/dbraw/zinc/25/47/98/231254798.db2.gz JRAWWLNHGNWETR-VQIMIIECSA-N 2 2 307.397 3.202 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000181965442 199367521 /nfs/dbraw/zinc/36/75/21/199367521.db2.gz NMRQCTDZMNJQTI-SWLSCSKDSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000181965442 199367523 /nfs/dbraw/zinc/36/75/23/199367523.db2.gz NMRQCTDZMNJQTI-SWLSCSKDSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000181965442 199367524 /nfs/dbraw/zinc/36/75/24/199367524.db2.gz NMRQCTDZMNJQTI-SWLSCSKDSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181965442 199367526 /nfs/dbraw/zinc/36/75/26/199367526.db2.gz NMRQCTDZMNJQTI-SWLSCSKDSA-N 2 2 324.852 3.041 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261559208 290244537 /nfs/dbraw/zinc/24/45/37/290244537.db2.gz DPLSNDVQXPFKMT-BNOWGMLFSA-N 2 2 309.251 3.051 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261559208 290244540 /nfs/dbraw/zinc/24/45/40/290244540.db2.gz DPLSNDVQXPFKMT-BNOWGMLFSA-N 2 2 309.251 3.051 10 0 DGAELP C[C@H]1C[N@@H+](C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CCO1 ZINC000179784945 432070339 /nfs/dbraw/zinc/07/03/39/432070339.db2.gz WLZWYQIAHQUUNG-KRWDZBQOSA-N 2 2 316.489 3.149 10 0 DGAELP C[C@H]1C[N@H+](C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CCO1 ZINC000179784945 432070340 /nfs/dbraw/zinc/07/03/40/432070340.db2.gz WLZWYQIAHQUUNG-KRWDZBQOSA-N 2 2 316.489 3.149 10 0 DGAELP C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668610 199193868 /nfs/dbraw/zinc/19/38/68/199193868.db2.gz GUGOGLYUPPSYOF-GFCCVEGCSA-N 2 2 315.808 3.110 10 0 DGAELP C[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1 ZINC000180588061 432090704 /nfs/dbraw/zinc/09/07/04/432090704.db2.gz KVTFKQIAEOCNAB-SFHVURJKSA-N 2 2 324.468 3.334 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000246081428 432092292 /nfs/dbraw/zinc/09/22/92/432092292.db2.gz HWWRGSNFNQNUMK-DNVCBOLYSA-N 2 2 321.428 3.356 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000246081428 432092295 /nfs/dbraw/zinc/09/22/95/432092295.db2.gz HWWRGSNFNQNUMK-DNVCBOLYSA-N 2 2 321.428 3.356 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000246087619 432093037 /nfs/dbraw/zinc/09/30/37/432093037.db2.gz NKOQKJKGYKXXGC-NHYWBVRUSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000246087619 432093040 /nfs/dbraw/zinc/09/30/40/432093040.db2.gz NKOQKJKGYKXXGC-NHYWBVRUSA-N 2 2 309.251 3.120 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195252368 201365879 /nfs/dbraw/zinc/36/58/79/201365879.db2.gz NGVOBISLXHQZDT-CVEARBPZSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195252368 201365883 /nfs/dbraw/zinc/36/58/83/201365883.db2.gz NGVOBISLXHQZDT-CVEARBPZSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000195252368 201365886 /nfs/dbraw/zinc/36/58/86/201365886.db2.gz NGVOBISLXHQZDT-CVEARBPZSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000195252368 201365889 /nfs/dbraw/zinc/36/58/89/201365889.db2.gz NGVOBISLXHQZDT-CVEARBPZSA-N 2 2 305.491 3.314 10 0 DGAELP COCC1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000449073946 240003574 /nfs/dbraw/zinc/00/35/74/240003574.db2.gz JVCCMIHUXMSYLE-UHFFFAOYSA-N 2 2 313.445 3.226 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCOCC34CCCCC4)cc2)c[nH+]1 ZINC000449624515 240325848 /nfs/dbraw/zinc/32/58/48/240325848.db2.gz OSKLAXSGQNFTLA-UHFFFAOYSA-N 2 2 311.429 3.407 10 0 DGAELP CCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OCC ZINC000091670551 193089373 /nfs/dbraw/zinc/08/93/73/193089373.db2.gz WXZUTMKPOHRJQU-UHFFFAOYSA-N 2 2 320.477 3.400 10 0 DGAELP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664890 284013499 /nfs/dbraw/zinc/01/34/99/284013499.db2.gz CDONPNGZDJDYFO-OAHLLOKOSA-N 2 2 322.518 3.200 10 0 DGAELP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664890 284013506 /nfs/dbraw/zinc/01/35/06/284013506.db2.gz CDONPNGZDJDYFO-OAHLLOKOSA-N 2 2 322.518 3.200 10 0 DGAELP CCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644670 193280497 /nfs/dbraw/zinc/28/04/97/193280497.db2.gz AJMSENPUIJIXPO-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644670 193280499 /nfs/dbraw/zinc/28/04/99/193280499.db2.gz AJMSENPUIJIXPO-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644670 193280501 /nfs/dbraw/zinc/28/05/01/193280501.db2.gz AJMSENPUIJIXPO-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000093644670 193280502 /nfs/dbraw/zinc/28/05/02/193280502.db2.gz AJMSENPUIJIXPO-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000093693384 193290601 /nfs/dbraw/zinc/29/06/01/193290601.db2.gz LHQLRGGKNVLCDL-SYJIQKIWSA-N 2 2 302.462 3.372 10 0 DGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000093693384 193290603 /nfs/dbraw/zinc/29/06/03/193290603.db2.gz LHQLRGGKNVLCDL-SYJIQKIWSA-N 2 2 302.462 3.372 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644191 193281036 /nfs/dbraw/zinc/28/10/36/193281036.db2.gz PHNXIXBSFWRBCR-RHSMWYFYSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@H+]1C ZINC000093644191 193281038 /nfs/dbraw/zinc/28/10/38/193281038.db2.gz PHNXIXBSFWRBCR-RHSMWYFYSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644191 193281039 /nfs/dbraw/zinc/28/10/39/193281039.db2.gz PHNXIXBSFWRBCR-RHSMWYFYSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644191 193281041 /nfs/dbraw/zinc/28/10/41/193281041.db2.gz PHNXIXBSFWRBCR-RHSMWYFYSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094342013 193362537 /nfs/dbraw/zinc/36/25/37/193362537.db2.gz VNEMLWUDVSCVQO-GWCFXTLKSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094342013 193362539 /nfs/dbraw/zinc/36/25/39/193362539.db2.gz VNEMLWUDVSCVQO-GWCFXTLKSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493890665 246094362 /nfs/dbraw/zinc/09/43/62/246094362.db2.gz GHCMVLPKNCPWPM-IPJUCJBFSA-N 2 2 302.462 3.198 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458480 432134202 /nfs/dbraw/zinc/13/42/02/432134202.db2.gz YSTRKTFBCOPCEM-WFASDCNBSA-N 2 2 324.490 3.005 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458480 432134206 /nfs/dbraw/zinc/13/42/06/432134206.db2.gz YSTRKTFBCOPCEM-WFASDCNBSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458480 432134209 /nfs/dbraw/zinc/13/42/09/432134209.db2.gz YSTRKTFBCOPCEM-WFASDCNBSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458480 432134213 /nfs/dbraw/zinc/13/42/13/432134213.db2.gz YSTRKTFBCOPCEM-WFASDCNBSA-N 2 2 324.490 3.005 10 0 DGAELP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)CC2 ZINC000494408165 246145356 /nfs/dbraw/zinc/14/53/56/246145356.db2.gz CAHAZQYFUNFGQC-CQSZACIVSA-N 2 2 310.426 3.111 10 0 DGAELP CCn1ccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267520936 206119709 /nfs/dbraw/zinc/11/97/09/206119709.db2.gz NPJOMYKSTUBDLN-WMZOPIPTSA-N 2 2 312.461 3.046 10 0 DGAELP CCn1ccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000267520936 206119712 /nfs/dbraw/zinc/11/97/12/206119712.db2.gz NPJOMYKSTUBDLN-WMZOPIPTSA-N 2 2 312.461 3.046 10 0 DGAELP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000040599832 183107984 /nfs/dbraw/zinc/10/79/84/183107984.db2.gz DPBBWYMIZQWYRW-LBPRGKRZSA-N 2 2 317.260 3.304 10 0 DGAELP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000040599832 183107987 /nfs/dbraw/zinc/10/79/87/183107987.db2.gz DPBBWYMIZQWYRW-LBPRGKRZSA-N 2 2 317.260 3.304 10 0 DGAELP Brc1cccc(C2CC([NH2+]CCn3cc[nH+]c3)C2)c1 ZINC000041119516 183167228 /nfs/dbraw/zinc/16/72/28/183167228.db2.gz CGDRKJCPMGGLID-UHFFFAOYSA-N 2 2 320.234 3.181 10 0 DGAELP CC(C)[N@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1Br ZINC000042529648 183281204 /nfs/dbraw/zinc/28/12/04/183281204.db2.gz RRUTZQBZEOKJML-UHFFFAOYSA-N 2 2 316.218 3.125 10 0 DGAELP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)cc1Br ZINC000042529648 183281208 /nfs/dbraw/zinc/28/12/08/183281208.db2.gz RRUTZQBZEOKJML-UHFFFAOYSA-N 2 2 316.218 3.125 10 0 DGAELP CCCCc1noc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000105897346 194162765 /nfs/dbraw/zinc/16/27/65/194162765.db2.gz UPXLGOQZKNUJIR-AWEZNQCLSA-N 2 2 317.437 3.008 10 0 DGAELP CCCCc1noc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1 ZINC000105897346 194162769 /nfs/dbraw/zinc/16/27/69/194162769.db2.gz UPXLGOQZKNUJIR-AWEZNQCLSA-N 2 2 317.437 3.008 10 0 DGAELP CCCc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000105918402 194169157 /nfs/dbraw/zinc/16/91/57/194169157.db2.gz NUAPFUUKFNJOBZ-UHFFFAOYSA-N 2 2 318.490 3.284 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[N@@H+]1Cc1ccccc1 ZINC000249193490 285062693 /nfs/dbraw/zinc/06/26/93/285062693.db2.gz AVVFBMIHOWGIEW-KBAYOESNSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[N@H+]1Cc1ccccc1 ZINC000249193490 285062697 /nfs/dbraw/zinc/06/26/97/285062697.db2.gz AVVFBMIHOWGIEW-KBAYOESNSA-N 2 2 302.462 3.197 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCCc3ccncc3)C2)n2c1CCCC2 ZINC000337449810 253118407 /nfs/dbraw/zinc/11/84/07/253118407.db2.gz SBKQSIYQAAAKOZ-SFHVURJKSA-N 2 2 324.472 3.427 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CCCc3ccncc3)C2)n2c1CCCC2 ZINC000337449810 253118410 /nfs/dbraw/zinc/11/84/10/253118410.db2.gz SBKQSIYQAAAKOZ-SFHVURJKSA-N 2 2 324.472 3.427 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629664 195204403 /nfs/dbraw/zinc/20/44/03/195204403.db2.gz SFWUWNBETQTETJ-ZWKOTPCHSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629664 195204406 /nfs/dbraw/zinc/20/44/06/195204406.db2.gz SFWUWNBETQTETJ-ZWKOTPCHSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629664 195204408 /nfs/dbraw/zinc/20/44/08/195204408.db2.gz SFWUWNBETQTETJ-ZWKOTPCHSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629664 195204410 /nfs/dbraw/zinc/20/44/10/195204410.db2.gz SFWUWNBETQTETJ-ZWKOTPCHSA-N 2 2 318.509 3.380 10 0 DGAELP Cc1ccc(F)cc1C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328639803 400183455 /nfs/dbraw/zinc/18/34/55/400183455.db2.gz PPEODCDVFGCFQZ-KRWDZBQOSA-N 2 2 313.420 3.141 10 0 DGAELP Cc1ccc(F)cc1C[N@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328639803 400183461 /nfs/dbraw/zinc/18/34/61/400183461.db2.gz PPEODCDVFGCFQZ-KRWDZBQOSA-N 2 2 313.420 3.141 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000629583513 400983866 /nfs/dbraw/zinc/98/38/66/400983866.db2.gz BINHAQIHAZJSMY-BGYRXZFFSA-N 2 2 314.473 3.246 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000629583513 400983874 /nfs/dbraw/zinc/98/38/74/400983874.db2.gz BINHAQIHAZJSMY-BGYRXZFFSA-N 2 2 314.473 3.246 10 0 DGAELP c1cn(Cc2ccc(-c3cccc([C@@H]4COCC[NH2+]4)c3)cc2)c[nH+]1 ZINC000629742795 401073630 /nfs/dbraw/zinc/07/36/30/401073630.db2.gz XTTKRBQUYDDXSI-FQEVSTJZSA-N 2 2 319.408 3.259 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)c2)c[nH+]1 ZINC000628423036 401595275 /nfs/dbraw/zinc/59/52/75/401595275.db2.gz ZGEBERDSOCAUJM-KGLIPLIRSA-N 2 2 305.472 3.404 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)c2)c[nH+]1 ZINC000628423036 401595276 /nfs/dbraw/zinc/59/52/76/401595276.db2.gz ZGEBERDSOCAUJM-KGLIPLIRSA-N 2 2 305.472 3.404 10 0 DGAELP Cc1cc[nH+]cc1CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000364947418 287078280 /nfs/dbraw/zinc/07/82/80/287078280.db2.gz AYXGFCYWQOVBMR-UHFFFAOYSA-N 2 2 302.462 3.461 10 0 DGAELP c1cc2[nH+]ccc(N3CCCN(c4cccc[nH+]4)CC3)c2s1 ZINC000186027386 165025618 /nfs/dbraw/zinc/02/56/18/165025618.db2.gz QIPUIJBIEKFYRK-UHFFFAOYSA-N 2 2 310.426 3.408 10 0 DGAELP Cc1cccc2nc(C3CC[NH+](CCn4cc[nH+]c4)CC3)oc21 ZINC000189812725 165178049 /nfs/dbraw/zinc/17/80/49/165178049.db2.gz YJWAWJXZMYBDSD-UHFFFAOYSA-N 2 2 310.401 3.212 10 0 DGAELP Fc1ccc(F)c([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000191685001 165265198 /nfs/dbraw/zinc/26/51/98/165265198.db2.gz DPBQRDOGYONPRJ-AWEZNQCLSA-N 2 2 305.372 3.431 10 0 DGAELP Fc1ccc(F)c([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000191685001 165265202 /nfs/dbraw/zinc/26/52/02/165265202.db2.gz DPBQRDOGYONPRJ-AWEZNQCLSA-N 2 2 305.372 3.431 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000171614886 432152233 /nfs/dbraw/zinc/15/22/33/432152233.db2.gz CPZOWUOQPWJLAF-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000171614886 432152236 /nfs/dbraw/zinc/15/22/36/432152236.db2.gz CPZOWUOQPWJLAF-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP Fc1ccccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647187 432155832 /nfs/dbraw/zinc/15/58/32/432155832.db2.gz MWRLDUPLOTUSLL-HNNXBMFYSA-N 2 2 315.392 3.034 10 0 DGAELP Fc1ccccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647187 432155835 /nfs/dbraw/zinc/15/58/35/432155835.db2.gz MWRLDUPLOTUSLL-HNNXBMFYSA-N 2 2 315.392 3.034 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246857253 432173635 /nfs/dbraw/zinc/17/36/35/432173635.db2.gz BUARILSOBNRFQV-ZBFHGGJFSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246857253 432173637 /nfs/dbraw/zinc/17/36/37/432173637.db2.gz BUARILSOBNRFQV-ZBFHGGJFSA-N 2 2 324.465 3.063 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044193 432196259 /nfs/dbraw/zinc/19/62/59/432196259.db2.gz NWSJHQPZHGEWLB-BBRMVZONSA-N 2 2 320.868 3.150 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044193 432196264 /nfs/dbraw/zinc/19/62/64/432196264.db2.gz NWSJHQPZHGEWLB-BBRMVZONSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044193 432196266 /nfs/dbraw/zinc/19/62/66/432196266.db2.gz NWSJHQPZHGEWLB-BBRMVZONSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044193 432196268 /nfs/dbraw/zinc/19/62/68/432196268.db2.gz NWSJHQPZHGEWLB-BBRMVZONSA-N 2 2 320.868 3.150 10 0 DGAELP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000247114577 432203419 /nfs/dbraw/zinc/20/34/19/432203419.db2.gz PHIMOKMDGZPSCA-QAPCUYQASA-N 2 2 322.880 3.324 10 0 DGAELP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000247114577 432203421 /nfs/dbraw/zinc/20/34/21/432203421.db2.gz PHIMOKMDGZPSCA-QAPCUYQASA-N 2 2 322.880 3.324 10 0 DGAELP CCC[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[NH+](C)C ZINC000134356654 196381895 /nfs/dbraw/zinc/38/18/95/196381895.db2.gz BMYJXUMBQXFRJP-INIZCTEOSA-N 2 2 314.433 3.120 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccc4c(c3)CCO4)C1)CCCC2 ZINC000299741157 229377684 /nfs/dbraw/zinc/37/76/84/229377684.db2.gz DDRKWOSNCJNZJF-KRWDZBQOSA-N 2 2 323.440 3.144 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc4c(c3)CCO4)C1)CCCC2 ZINC000299741157 229377688 /nfs/dbraw/zinc/37/76/88/229377688.db2.gz DDRKWOSNCJNZJF-KRWDZBQOSA-N 2 2 323.440 3.144 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503441 266096152 /nfs/dbraw/zinc/09/61/52/266096152.db2.gz AYPYUKQOBFYXNY-GOEBONIOSA-N 2 2 310.445 3.088 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503441 266096155 /nfs/dbraw/zinc/09/61/55/266096155.db2.gz AYPYUKQOBFYXNY-GOEBONIOSA-N 2 2 310.445 3.088 10 0 DGAELP c1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000355589954 266125652 /nfs/dbraw/zinc/12/56/52/266125652.db2.gz YSBNXORCDPUYDP-UHFFFAOYSA-N 2 2 310.445 3.183 10 0 DGAELP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CC2 ZINC000151525106 432253697 /nfs/dbraw/zinc/25/36/97/432253697.db2.gz ACOYUQIWMQWZQJ-SFHVURJKSA-N 2 2 304.397 3.353 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247939765 432254275 /nfs/dbraw/zinc/25/42/75/432254275.db2.gz CWONLZCOUCEJOI-BHIYHBOVSA-N 2 2 319.493 3.087 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247939765 432254282 /nfs/dbraw/zinc/25/42/82/432254282.db2.gz CWONLZCOUCEJOI-BHIYHBOVSA-N 2 2 319.493 3.087 10 0 DGAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923319 276073004 /nfs/dbraw/zinc/07/30/04/276073004.db2.gz KNRSBFFRYFAXLQ-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923319 276073005 /nfs/dbraw/zinc/07/30/05/276073005.db2.gz KNRSBFFRYFAXLQ-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923319 276073006 /nfs/dbraw/zinc/07/30/06/276073006.db2.gz KNRSBFFRYFAXLQ-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923319 276073007 /nfs/dbraw/zinc/07/30/07/276073007.db2.gz KNRSBFFRYFAXLQ-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC(C)(C)c1cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000069586553 431202034 /nfs/dbraw/zinc/20/20/34/431202034.db2.gz WWTJASFLPXZSDV-UHFFFAOYSA-N 2 2 305.466 3.280 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173827 431243754 /nfs/dbraw/zinc/24/37/54/431243754.db2.gz FSDCFIDRCLEIOX-RYUDHWBXSA-N 2 2 317.260 3.431 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173827 431243759 /nfs/dbraw/zinc/24/37/59/431243759.db2.gz FSDCFIDRCLEIOX-RYUDHWBXSA-N 2 2 317.260 3.431 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@H]1CCC[NH2+]1)CCCC2 ZINC000423241728 280463209 /nfs/dbraw/zinc/46/32/09/280463209.db2.gz VIHLFTRSZUPPER-SJLPKXTDSA-N 2 2 300.446 3.121 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000122925988 431848865 /nfs/dbraw/zinc/84/88/65/431848865.db2.gz PLTBHYMHZXIVDD-CQSZACIVSA-N 2 2 309.417 3.159 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000122925988 431848868 /nfs/dbraw/zinc/84/88/68/431848868.db2.gz PLTBHYMHZXIVDD-CQSZACIVSA-N 2 2 309.417 3.159 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173495 431857160 /nfs/dbraw/zinc/85/71/60/431857160.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000123173495 431857161 /nfs/dbraw/zinc/85/71/61/431857161.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173495 431857164 /nfs/dbraw/zinc/85/71/64/431857164.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173495 431857166 /nfs/dbraw/zinc/85/71/66/431857166.db2.gz CDPXLWOYTYVJCG-GXTWGEPZSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173314 431857235 /nfs/dbraw/zinc/85/72/35/431857235.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000123173314 431857237 /nfs/dbraw/zinc/85/72/37/431857237.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173314 431857240 /nfs/dbraw/zinc/85/72/40/431857240.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173314 431857241 /nfs/dbraw/zinc/85/72/41/431857241.db2.gz CDPXLWOYTYVJCG-TZMCWYRMSA-N 2 2 324.852 3.026 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278452 431860515 /nfs/dbraw/zinc/86/05/15/431860515.db2.gz HWQHOLFAPXEKBC-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278452 431860517 /nfs/dbraw/zinc/86/05/17/431860517.db2.gz HWQHOLFAPXEKBC-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278452 431860520 /nfs/dbraw/zinc/86/05/20/431860520.db2.gz HWQHOLFAPXEKBC-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(Cl)c1 ZINC000123278452 431860522 /nfs/dbraw/zinc/86/05/22/431860522.db2.gz HWQHOLFAPXEKBC-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123318797 431861717 /nfs/dbraw/zinc/86/17/17/431861717.db2.gz BYELZIVVEDMYKO-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123318797 431861718 /nfs/dbraw/zinc/86/17/18/431861718.db2.gz BYELZIVVEDMYKO-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123318797 431861720 /nfs/dbraw/zinc/86/17/20/431861720.db2.gz BYELZIVVEDMYKO-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123318797 431861721 /nfs/dbraw/zinc/86/17/21/431861721.db2.gz BYELZIVVEDMYKO-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP Cc1ccccc1CCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000084677165 431831624 /nfs/dbraw/zinc/83/16/24/431831624.db2.gz LWZUQPDWDNBCFS-SFHVURJKSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1ccccc1CCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000084677165 431831627 /nfs/dbraw/zinc/83/16/27/431831627.db2.gz LWZUQPDWDNBCFS-SFHVURJKSA-N 2 2 316.489 3.113 10 0 DGAELP [NH3+][C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000097163511 431963936 /nfs/dbraw/zinc/96/39/36/431963936.db2.gz LVRFBBPCNSGUFR-RTBURBONSA-N 2 2 321.399 3.301 10 0 DGAELP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000097163511 431963938 /nfs/dbraw/zinc/96/39/38/431963938.db2.gz LVRFBBPCNSGUFR-RTBURBONSA-N 2 2 321.399 3.301 10 0 DGAELP Fc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(F)c1F ZINC000128254418 431990853 /nfs/dbraw/zinc/99/08/53/431990853.db2.gz ZMMYZIPHAKPGGL-GFCCVEGCSA-N 2 2 321.346 3.433 10 0 DGAELP Fc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(F)c1F ZINC000128254418 431990854 /nfs/dbraw/zinc/99/08/54/431990854.db2.gz ZMMYZIPHAKPGGL-GFCCVEGCSA-N 2 2 321.346 3.433 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000248437479 432290229 /nfs/dbraw/zinc/29/02/29/432290229.db2.gz HBSJJPPVYAQMSW-QWQRMKEZSA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000248437479 432290233 /nfs/dbraw/zinc/29/02/33/432290233.db2.gz HBSJJPPVYAQMSW-QWQRMKEZSA-N 2 2 303.450 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000173698994 432294856 /nfs/dbraw/zinc/29/48/56/432294856.db2.gz PWJOTIHOCZHBKS-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000173698994 432294858 /nfs/dbraw/zinc/29/48/58/432294858.db2.gz PWJOTIHOCZHBKS-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248907667 432329744 /nfs/dbraw/zinc/32/97/44/432329744.db2.gz MEGMJUCBCOBXBB-DLBZAZTESA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248907667 432329746 /nfs/dbraw/zinc/32/97/46/432329746.db2.gz MEGMJUCBCOBXBB-DLBZAZTESA-N 2 2 305.466 3.024 10 0 DGAELP CCOC1CC(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000249141367 432341911 /nfs/dbraw/zinc/34/19/11/432341911.db2.gz WGEFDBPNAIQJBA-WQUXRXDGSA-N 2 2 316.489 3.302 10 0 DGAELP CCOC1CC(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000249141367 432341914 /nfs/dbraw/zinc/34/19/14/432341914.db2.gz WGEFDBPNAIQJBA-WQUXRXDGSA-N 2 2 316.489 3.302 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000153326350 432400725 /nfs/dbraw/zinc/40/07/25/432400725.db2.gz IRBHCOQKEIEIPV-CHWSQXEVSA-N 2 2 316.898 3.411 10 0 DGAELP Cc1cc(Br)cc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261642472 432436720 /nfs/dbraw/zinc/43/67/20/432436720.db2.gz AKSXAKIZTHOMJX-ZDUSSCGKSA-N 2 2 323.278 3.115 10 0 DGAELP Cc1cc(Br)cc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261642472 432436725 /nfs/dbraw/zinc/43/67/25/432436725.db2.gz AKSXAKIZTHOMJX-ZDUSSCGKSA-N 2 2 323.278 3.115 10 0 DGAELP CCCCc1[nH]c2ccc(NC(=O)[C@H]([NH3+])[C@@H](C)CC)cc2[nH+]1 ZINC000262631212 432494365 /nfs/dbraw/zinc/49/43/65/432494365.db2.gz HBNVGYZMXODAKN-MEDUHNTESA-N 2 2 302.422 3.217 10 0 DGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000154642570 432510556 /nfs/dbraw/zinc/51/05/56/432510556.db2.gz FZLRCQBRGHKIFG-ZBFHGGJFSA-N 2 2 306.450 3.229 10 0 DGAELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OCC ZINC000154642570 432510561 /nfs/dbraw/zinc/51/05/61/432510561.db2.gz FZLRCQBRGHKIFG-ZBFHGGJFSA-N 2 2 306.450 3.229 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688422 432651558 /nfs/dbraw/zinc/65/15/58/432651558.db2.gz YXCBOSXQZCBZFU-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688422 432651561 /nfs/dbraw/zinc/65/15/61/432651561.db2.gz YXCBOSXQZCBZFU-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688422 432651565 /nfs/dbraw/zinc/65/15/65/432651565.db2.gz YXCBOSXQZCBZFU-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688422 432651568 /nfs/dbraw/zinc/65/15/68/432651568.db2.gz YXCBOSXQZCBZFU-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178294856 432716978 /nfs/dbraw/zinc/71/69/78/432716978.db2.gz CHCVLKOTCNMGLZ-IUODEOHRSA-N 2 2 320.462 3.020 10 0 DGAELP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178294856 432716983 /nfs/dbraw/zinc/71/69/83/432716983.db2.gz CHCVLKOTCNMGLZ-IUODEOHRSA-N 2 2 320.462 3.020 10 0 DGAELP Cc1cnn(CCCCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178310035 432717968 /nfs/dbraw/zinc/71/79/68/432717968.db2.gz ZFYXETXRHBWHGK-SFHVURJKSA-N 2 2 315.465 3.031 10 0 DGAELP Cc1cnn(CCCCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178310035 432717972 /nfs/dbraw/zinc/71/79/72/432717972.db2.gz ZFYXETXRHBWHGK-SFHVURJKSA-N 2 2 315.465 3.031 10 0 DGAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000187821028 432686840 /nfs/dbraw/zinc/68/68/40/432686840.db2.gz YZEOUQOHRMEUQH-GDBMZVCRSA-N 2 2 318.486 3.399 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943343 432761105 /nfs/dbraw/zinc/76/11/05/432761105.db2.gz ZIEANYBPSCKDGS-IEZWGBDMSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943343 432761107 /nfs/dbraw/zinc/76/11/07/432761107.db2.gz ZIEANYBPSCKDGS-IEZWGBDMSA-N 2 2 324.472 3.346 10 0 DGAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460465 432834570 /nfs/dbraw/zinc/83/45/70/432834570.db2.gz VUGXKIYRTGKJGD-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460465 432834572 /nfs/dbraw/zinc/83/45/72/432834572.db2.gz VUGXKIYRTGKJGD-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460465 432834575 /nfs/dbraw/zinc/83/45/75/432834575.db2.gz VUGXKIYRTGKJGD-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460465 432834577 /nfs/dbraw/zinc/83/45/77/432834577.db2.gz VUGXKIYRTGKJGD-HUUCEWRRSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H]1CCCC[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162950862 432838355 /nfs/dbraw/zinc/83/83/55/432838355.db2.gz DKCBCDFUYOQJOH-WFASDCNBSA-N 2 2 308.389 3.201 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245740483 432860064 /nfs/dbraw/zinc/86/00/64/432860064.db2.gz LOPNLKGKDNANEJ-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245740483 432860066 /nfs/dbraw/zinc/86/00/66/432860066.db2.gz LOPNLKGKDNANEJ-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245740483 432860069 /nfs/dbraw/zinc/86/00/69/432860069.db2.gz LOPNLKGKDNANEJ-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245740483 432860072 /nfs/dbraw/zinc/86/00/72/432860072.db2.gz LOPNLKGKDNANEJ-YJBOKZPZSA-N 2 2 312.461 3.300 10 0 DGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000245895065 432868351 /nfs/dbraw/zinc/86/83/51/432868351.db2.gz SGULIFACVSSKRX-GDBMZVCRSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000245895065 432868352 /nfs/dbraw/zinc/86/83/52/432868352.db2.gz SGULIFACVSSKRX-GDBMZVCRSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000245895065 432868353 /nfs/dbraw/zinc/86/83/53/432868353.db2.gz SGULIFACVSSKRX-GDBMZVCRSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000245895065 432868354 /nfs/dbraw/zinc/86/83/54/432868354.db2.gz SGULIFACVSSKRX-GDBMZVCRSA-N 2 2 308.853 3.265 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245686095 432855966 /nfs/dbraw/zinc/85/59/66/432855966.db2.gz AOYSGDVZVXSVNX-HNAYVOBHSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245686095 432855967 /nfs/dbraw/zinc/85/59/67/432855967.db2.gz AOYSGDVZVXSVNX-HNAYVOBHSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245686095 432855968 /nfs/dbraw/zinc/85/59/68/432855968.db2.gz AOYSGDVZVXSVNX-HNAYVOBHSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245686095 432855971 /nfs/dbraw/zinc/85/59/71/432855971.db2.gz AOYSGDVZVXSVNX-HNAYVOBHSA-N 2 2 312.461 3.095 10 0 DGAELP c1cn2c(cccc2C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)[nH+]1 ZINC000374498379 433203258 /nfs/dbraw/zinc/20/32/58/433203258.db2.gz VCLVZARTTLWZQA-QFBILLFUSA-N 2 2 307.397 3.202 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOC[C@@H]3CC3CCC3)c2)c[nH+]1 ZINC000354733331 433243510 /nfs/dbraw/zinc/24/35/10/433243510.db2.gz PJNGLFKNPMWMHL-HNNXBMFYSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)c2)c[nH+]1 ZINC000354733331 433243517 /nfs/dbraw/zinc/24/35/17/433243517.db2.gz PJNGLFKNPMWMHL-HNNXBMFYSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(CC[NH2+][C@@H](COCc2ccccc2)c2ccccc2)c[nH+]1 ZINC000341851136 433314013 /nfs/dbraw/zinc/31/40/13/433314013.db2.gz FQWMJUOUTZPEOX-FQEVSTJZSA-N 2 2 321.424 3.431 10 0 DGAELP c1ccc(N2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)[nH+]c1 ZINC000421386700 433532511 /nfs/dbraw/zinc/53/25/11/433532511.db2.gz RNMFPKZGAHBNEZ-OAHLLOKOSA-N 2 2 317.502 3.173 10 0 DGAELP Brc1cscc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370204431 293163119 /nfs/dbraw/zinc/16/31/19/293163119.db2.gz PZVOMOUQVQZNRA-RYUDHWBXSA-N 2 2 315.280 3.227 10 0 DGAELP Brc1cscc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370204431 293163121 /nfs/dbraw/zinc/16/31/21/293163121.db2.gz PZVOMOUQVQZNRA-RYUDHWBXSA-N 2 2 315.280 3.227 10 0 DGAELP c1nn(Cc2ccccc2)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339821065 433803920 /nfs/dbraw/zinc/80/39/20/433803920.db2.gz XNVMGUHRTAQWAB-UHFFFAOYSA-N 2 2 321.428 3.034 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000311186540 434111877 /nfs/dbraw/zinc/11/18/77/434111877.db2.gz CEVBOIJIGNHQEP-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000311186540 434111890 /nfs/dbraw/zinc/11/18/90/434111890.db2.gz CEVBOIJIGNHQEP-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186542 434185168 /nfs/dbraw/zinc/18/51/68/434185168.db2.gz ZCFVDDPMYSVTIB-CABCVRRESA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186542 434185178 /nfs/dbraw/zinc/18/51/78/434185178.db2.gz ZCFVDDPMYSVTIB-CABCVRRESA-N 2 2 317.458 3.182 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000389112503 434342753 /nfs/dbraw/zinc/34/27/53/434342753.db2.gz AQFVBHIYSVAJFR-OGVSOVDVSA-N 2 2 323.278 3.379 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000389112503 434342762 /nfs/dbraw/zinc/34/27/62/434342762.db2.gz AQFVBHIYSVAJFR-OGVSOVDVSA-N 2 2 323.278 3.379 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H](C)O1 ZINC000398088856 434448926 /nfs/dbraw/zinc/44/89/26/434448926.db2.gz WIXYADJBPXXTTP-FPAYPSAMSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H](C)O1 ZINC000398088856 434448931 /nfs/dbraw/zinc/44/89/31/434448931.db2.gz WIXYADJBPXXTTP-FPAYPSAMSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000393910638 434398587 /nfs/dbraw/zinc/39/85/87/434398587.db2.gz BKBLWIQBYWDXGK-RNIPGJKVSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000393910638 434398599 /nfs/dbraw/zinc/39/85/99/434398599.db2.gz BKBLWIQBYWDXGK-RNIPGJKVSA-N 2 2 302.462 3.197 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400642160 434490907 /nfs/dbraw/zinc/49/09/07/434490907.db2.gz PVIJTUIDXBTHIC-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400642160 434490915 /nfs/dbraw/zinc/49/09/15/434490915.db2.gz PVIJTUIDXBTHIC-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000398015080 434450187 /nfs/dbraw/zinc/45/01/87/434450187.db2.gz FYFQHVJZKTXLBD-MSOLQXFVSA-N 2 2 306.494 3.140 10 0 DGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000398015080 434450195 /nfs/dbraw/zinc/45/01/95/434450195.db2.gz FYFQHVJZKTXLBD-MSOLQXFVSA-N 2 2 306.494 3.140 10 0 DGAELP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CO2 ZINC000527752964 295126018 /nfs/dbraw/zinc/12/60/18/295126018.db2.gz QWODFPMXNLJAAQ-LJQANCHMSA-N 2 2 312.457 3.459 10 0 DGAELP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CO2 ZINC000527752964 295126019 /nfs/dbraw/zinc/12/60/19/295126019.db2.gz QWODFPMXNLJAAQ-LJQANCHMSA-N 2 2 312.457 3.459 10 0 DGAELP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccn3)C3CCC3)cn2)c[nH+]1 ZINC000527770243 295128067 /nfs/dbraw/zinc/12/80/67/295128067.db2.gz DNZWJZZJTKJAGX-LJQANCHMSA-N 2 2 319.412 3.293 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527812613 295135275 /nfs/dbraw/zinc/13/52/75/295135275.db2.gz VKYBKHRMUSTLTR-DFEOGRTESA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527812613 295135277 /nfs/dbraw/zinc/13/52/77/295135277.db2.gz VKYBKHRMUSTLTR-DFEOGRTESA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015886 295167381 /nfs/dbraw/zinc/16/73/81/295167381.db2.gz ZNLNOHMSLYJFQV-SFHVURJKSA-N 2 2 306.494 3.332 10 0 DGAELP C([NH2+]C1CCC2(CCOCC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015886 295167383 /nfs/dbraw/zinc/16/73/83/295167383.db2.gz ZNLNOHMSLYJFQV-SFHVURJKSA-N 2 2 306.494 3.332 10 0 DGAELP CCc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(C)[nH+]1 ZINC000553366472 434889249 /nfs/dbraw/zinc/88/92/49/434889249.db2.gz QUIZIWYGOIERQZ-QGZVFWFLSA-N 2 2 316.493 3.440 10 0 DGAELP C=Cn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000573068875 434871277 /nfs/dbraw/zinc/87/12/77/434871277.db2.gz HMYGNMYDQSVJPN-IBGZPJMESA-N 2 2 321.428 3.328 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000513527933 435393029 /nfs/dbraw/zinc/39/30/29/435393029.db2.gz VXWVAQFDELCEIE-RBFDBLARSA-N 2 2 322.880 3.301 10 0 DGAELP c1nc(CCc2ccccc2)sc1C[NH2+]CCC[NH+]1CCC1 ZINC000515071320 435461018 /nfs/dbraw/zinc/46/10/18/435461018.db2.gz DEHRYUSVALZPPV-UHFFFAOYSA-N 2 2 315.486 3.114 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000514834554 435441071 /nfs/dbraw/zinc/44/10/71/435441071.db2.gz PBWNPRAHJVSSED-YLJYHZDGSA-N 2 2 316.489 3.303 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000514834554 435441076 /nfs/dbraw/zinc/44/10/76/435441076.db2.gz PBWNPRAHJVSSED-YLJYHZDGSA-N 2 2 316.489 3.303 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000515383894 435481983 /nfs/dbraw/zinc/48/19/83/435481983.db2.gz XJMSOYFBSMREOK-SJORKVTESA-N 2 2 316.474 3.040 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000515383894 435481988 /nfs/dbraw/zinc/48/19/88/435481988.db2.gz XJMSOYFBSMREOK-SJORKVTESA-N 2 2 316.474 3.040 10 0 DGAELP c1ccc(OC2CCCC2)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179755 313334805 /nfs/dbraw/zinc/33/48/05/313334805.db2.gz WTDCGHHSOKYCHH-SFHVURJKSA-N 2 2 300.446 3.382 10 0 DGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214237 313340566 /nfs/dbraw/zinc/34/05/66/313340566.db2.gz COLMNNJWBHSNDW-CABCVRRESA-N 2 2 321.262 3.311 10 0 DGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216919 313341574 /nfs/dbraw/zinc/34/15/74/313341574.db2.gz DIGJOYDVGKGRKK-LSDHHAIUSA-N 2 2 321.262 3.311 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694601 323393427 /nfs/dbraw/zinc/39/34/27/323393427.db2.gz SZFVLKJMABNMKG-CVEARBPZSA-N 2 2 304.482 3.207 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185694601 323393430 /nfs/dbraw/zinc/39/34/30/323393430.db2.gz SZFVLKJMABNMKG-CVEARBPZSA-N 2 2 304.482 3.207 10 0 DGAELP c1ccc2c(c1)CC[C@@H](C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000584487626 337349754 /nfs/dbraw/zinc/34/97/54/337349754.db2.gz MBOSBZIJNHUKLX-OXQOHEQNSA-N 2 2 308.425 3.340 10 0 DGAELP c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000584487626 337349755 /nfs/dbraw/zinc/34/97/55/337349755.db2.gz MBOSBZIJNHUKLX-OXQOHEQNSA-N 2 2 308.425 3.340 10 0 DGAELP CCN(CCC[NH+](C)C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584621154 337374809 /nfs/dbraw/zinc/37/48/09/337374809.db2.gz FKJAHRRVDPNTKK-UHFFFAOYSA-N 2 2 306.841 3.489 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cc(F)ccc1F ZINC000163320827 522633591 /nfs/dbraw/zinc/63/35/91/522633591.db2.gz OMFGGYDRNSYYQI-PBHICJAKSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cc(F)ccc1F ZINC000163320827 522633600 /nfs/dbraw/zinc/63/36/00/522633600.db2.gz OMFGGYDRNSYYQI-PBHICJAKSA-N 2 2 312.404 3.116 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H](C)c1nc2ccccc2s1 ZINC000154579404 525386811 /nfs/dbraw/zinc/38/68/11/525386811.db2.gz MMGZHVCHABNLBJ-IHRRRGAJSA-N 2 2 303.475 3.472 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H](C)c1nc2ccccc2s1 ZINC000154579404 525386821 /nfs/dbraw/zinc/38/68/21/525386821.db2.gz MMGZHVCHABNLBJ-IHRRRGAJSA-N 2 2 303.475 3.472 10 0 DGAELP C/C(=C/c1ccccc1)C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328652249 527506058 /nfs/dbraw/zinc/50/60/58/527506058.db2.gz WGNCESWMGYPPKA-PDUYLLJLSA-N 2 2 311.429 3.333 10 0 DGAELP CC[N@@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112081080 545872922 /nfs/dbraw/zinc/87/29/22/545872922.db2.gz ZNVJWPYMVYJFSB-INIZCTEOSA-N 2 2 311.433 3.133 10 0 DGAELP CC[N@H+]1CCCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112081080 545872927 /nfs/dbraw/zinc/87/29/27/545872927.db2.gz ZNVJWPYMVYJFSB-INIZCTEOSA-N 2 2 311.433 3.133 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720113 546113397 /nfs/dbraw/zinc/11/33/97/546113397.db2.gz FBXLKSQHCBMPTF-KUHUBIRLSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720113 546113400 /nfs/dbraw/zinc/11/34/00/546113400.db2.gz FBXLKSQHCBMPTF-KUHUBIRLSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720113 546113403 /nfs/dbraw/zinc/11/34/03/546113403.db2.gz FBXLKSQHCBMPTF-KUHUBIRLSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720113 546113409 /nfs/dbraw/zinc/11/34/09/546113409.db2.gz FBXLKSQHCBMPTF-KUHUBIRLSA-N 2 2 312.461 3.100 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667819315 547312143 /nfs/dbraw/zinc/31/21/43/547312143.db2.gz TWXAYXNUYMSXGY-VAMGGRTRSA-N 2 2 314.473 3.198 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667819315 547312145 /nfs/dbraw/zinc/31/21/45/547312145.db2.gz TWXAYXNUYMSXGY-VAMGGRTRSA-N 2 2 314.473 3.198 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844694 658148516 /nfs/dbraw/zinc/14/85/16/658148516.db2.gz MORMUTVYPFAJPZ-NEPJUHHUSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844694 658148524 /nfs/dbraw/zinc/14/85/24/658148524.db2.gz MORMUTVYPFAJPZ-NEPJUHHUSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878789 658154892 /nfs/dbraw/zinc/15/48/92/658154892.db2.gz UDGICWMWFZCLTN-IRUJWGPZSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878789 658154897 /nfs/dbraw/zinc/15/48/97/658154897.db2.gz UDGICWMWFZCLTN-IRUJWGPZSA-N 2 2 306.759 3.470 10 0 DGAELP Cc1noc(C)c1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379650421 1176802444 /nfs/dbraw/zinc/80/24/44/1176802444.db2.gz RTPXMODOTXZCOR-CQSZACIVSA-N 2 2 301.434 3.292 10 0 DGAELP Cc1noc(C)c1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379650421 1176802453 /nfs/dbraw/zinc/80/24/53/1176802453.db2.gz RTPXMODOTXZCOR-CQSZACIVSA-N 2 2 301.434 3.292 10 0 DGAELP CC[N@H+](C)CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000054110280 1194755490 /nfs/dbraw/zinc/75/54/90/1194755490.db2.gz IGXBQAKSUFYESE-UHFFFAOYSA-N 2 2 311.267 3.236 10 0 DGAELP CC[N@@H+](C)CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000054110280 1194755494 /nfs/dbraw/zinc/75/54/94/1194755494.db2.gz IGXBQAKSUFYESE-UHFFFAOYSA-N 2 2 311.267 3.236 10 0 DGAELP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000078847562 1196803641 /nfs/dbraw/zinc/80/36/41/1196803641.db2.gz RSCXBBQGHFVCAD-UHFFFAOYSA-N 2 2 321.428 3.454 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000181283111 199276106 /nfs/dbraw/zinc/27/61/06/199276106.db2.gz LYNCYRSHKZQWTN-BXWFABGCSA-N 2 2 320.477 3.091 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000181283111 199276108 /nfs/dbraw/zinc/27/61/08/199276108.db2.gz LYNCYRSHKZQWTN-BXWFABGCSA-N 2 2 320.477 3.091 10 0 DGAELP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812782 185343621 /nfs/dbraw/zinc/34/36/21/185343621.db2.gz KAUUCLFZUNVETO-CQSZACIVSA-N 2 2 313.449 3.036 10 0 DGAELP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812782 185343622 /nfs/dbraw/zinc/34/36/22/185343622.db2.gz KAUUCLFZUNVETO-CQSZACIVSA-N 2 2 313.449 3.036 10 0 DGAELP Cc1[nH+]c(-c2ccc(F)cc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000070456343 190896603 /nfs/dbraw/zinc/89/66/03/190896603.db2.gz TYHVDBNBWFLTHH-CQSZACIVSA-N 2 2 314.408 3.311 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491055 432026415 /nfs/dbraw/zinc/02/64/15/432026415.db2.gz SLCWTSABVQNVKF-ABAIWWIYSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491055 432026417 /nfs/dbraw/zinc/02/64/17/432026417.db2.gz SLCWTSABVQNVKF-ABAIWWIYSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491055 432026420 /nfs/dbraw/zinc/02/64/20/432026420.db2.gz SLCWTSABVQNVKF-ABAIWWIYSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491055 432026421 /nfs/dbraw/zinc/02/64/21/432026421.db2.gz SLCWTSABVQNVKF-ABAIWWIYSA-N 2 2 300.368 3.266 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cnccn2)cc1 ZINC000166678267 432061991 /nfs/dbraw/zinc/06/19/91/432061991.db2.gz CQBXYEHBPRGGTP-ZIAGYGMSSA-N 2 2 307.401 3.383 10 0 DGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168722120 432070006 /nfs/dbraw/zinc/07/00/06/432070006.db2.gz IBRIVUOXAVZJNX-OLZOCXBDSA-N 2 2 300.393 3.149 10 0 DGAELP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180127593 199120523 /nfs/dbraw/zinc/12/05/23/199120523.db2.gz PYVKCXFYAPSDMM-KRZKXXONSA-N 2 2 311.429 3.378 10 0 DGAELP COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180127593 199120525 /nfs/dbraw/zinc/12/05/25/199120525.db2.gz PYVKCXFYAPSDMM-KRZKXXONSA-N 2 2 311.429 3.378 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000180127831 199120742 /nfs/dbraw/zinc/12/07/42/199120742.db2.gz APXZAFJXQRHYDX-CYBMUJFWSA-N 2 2 309.335 3.273 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000180127831 199120744 /nfs/dbraw/zinc/12/07/44/199120744.db2.gz APXZAFJXQRHYDX-CYBMUJFWSA-N 2 2 309.335 3.273 10 0 DGAELP Fc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(F)c1F ZINC000134214763 432075170 /nfs/dbraw/zinc/07/51/70/432075170.db2.gz XRZIWYMUOLSXQT-UHFFFAOYSA-N 2 2 312.379 3.412 10 0 DGAELP Cc1cnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000180503820 199168006 /nfs/dbraw/zinc/16/80/06/199168006.db2.gz VKCVJNXRMPESMB-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1cnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000180503820 199168008 /nfs/dbraw/zinc/16/80/08/199168008.db2.gz VKCVJNXRMPESMB-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP c1cn(-c2csc(CN3CC[NH2+]C[C@@H]3c3ccccc3)c2)c[nH+]1 ZINC000415133340 237104876 /nfs/dbraw/zinc/10/48/76/237104876.db2.gz VBWLJQPRQIOVOK-GOSISDBHSA-N 2 2 324.453 3.080 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)c2)c[nH+]1 ZINC000428374042 238018136 /nfs/dbraw/zinc/01/81/36/238018136.db2.gz PETLTUUJCYBMFB-MRXNPFEDSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)c2)c[nH+]1 ZINC000428374042 238018137 /nfs/dbraw/zinc/01/81/37/238018137.db2.gz PETLTUUJCYBMFB-MRXNPFEDSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(C[C@H]2CCC[N@H+]2CCSCc2ccccc2)c[nH+]1 ZINC000193918608 201145331 /nfs/dbraw/zinc/14/53/31/201145331.db2.gz WNOLLSCOMXVREH-QGZVFWFLSA-N 2 2 301.459 3.281 10 0 DGAELP c1cn(C[C@H]2CCC[N@@H+]2CCSCc2ccccc2)c[nH+]1 ZINC000193918608 201145334 /nfs/dbraw/zinc/14/53/34/201145334.db2.gz WNOLLSCOMXVREH-QGZVFWFLSA-N 2 2 301.459 3.281 10 0 DGAELP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912005 432104713 /nfs/dbraw/zinc/10/47/13/432104713.db2.gz BERZHEMPHXRTEM-QGZVFWFLSA-N 3 2 312.461 3.399 10 0 DGAELP c1cn(-c2csc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000449482700 240235019 /nfs/dbraw/zinc/23/50/19/240235019.db2.gz ZJBSOEOXVLMHRU-AWEZNQCLSA-N 2 2 317.458 3.373 10 0 DGAELP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275353525 212287891 /nfs/dbraw/zinc/28/78/91/212287891.db2.gz AHFGTCDSGMPXOA-LHHMISFZSA-N 2 2 303.450 3.222 10 0 DGAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597655 193272835 /nfs/dbraw/zinc/27/28/35/193272835.db2.gz VBFPZOUVRNHQTN-JKNJVXJCSA-N 2 2 300.446 3.126 10 0 DGAELP COc1ccccc1/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597655 193272837 /nfs/dbraw/zinc/27/28/37/193272837.db2.gz VBFPZOUVRNHQTN-JKNJVXJCSA-N 2 2 300.446 3.126 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000093644465 193281434 /nfs/dbraw/zinc/28/14/34/193281434.db2.gz ANXXWZAZTZOPKH-CXAGYDPISA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000093644465 193281436 /nfs/dbraw/zinc/28/14/36/193281436.db2.gz ANXXWZAZTZOPKH-CXAGYDPISA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644465 193281438 /nfs/dbraw/zinc/28/14/38/193281438.db2.gz ANXXWZAZTZOPKH-CXAGYDPISA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644465 193281440 /nfs/dbraw/zinc/28/14/40/193281440.db2.gz ANXXWZAZTZOPKH-CXAGYDPISA-N 2 2 316.424 3.130 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246588700 432147056 /nfs/dbraw/zinc/14/70/56/432147056.db2.gz FTZYIOKZBZQHEX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246588700 432147058 /nfs/dbraw/zinc/14/70/58/432147058.db2.gz FTZYIOKZBZQHEX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246588700 432147063 /nfs/dbraw/zinc/14/70/63/432147063.db2.gz FTZYIOKZBZQHEX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246588700 432147066 /nfs/dbraw/zinc/14/70/66/432147066.db2.gz FTZYIOKZBZQHEX-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP C[N@H+](Cc1sccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043676984 183378941 /nfs/dbraw/zinc/37/89/41/183378941.db2.gz CAGOMHHSXIRZCL-ZACCUICWSA-N 2 2 315.280 3.225 10 0 DGAELP C[N@@H+](Cc1sccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000043676984 183378942 /nfs/dbraw/zinc/37/89/42/183378942.db2.gz CAGOMHHSXIRZCL-ZACCUICWSA-N 2 2 315.280 3.225 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000105922597 194171208 /nfs/dbraw/zinc/17/12/08/194171208.db2.gz ZJJJSKLLABIYRT-KRWDZBQOSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000105922597 194171211 /nfs/dbraw/zinc/17/12/11/194171211.db2.gz ZJJJSKLLABIYRT-KRWDZBQOSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000106215470 194190295 /nfs/dbraw/zinc/19/02/95/194190295.db2.gz QCWBCZPPCDPULF-KRWDZBQOSA-N 2 2 313.445 3.334 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000106215470 194190297 /nfs/dbraw/zinc/19/02/97/194190297.db2.gz QCWBCZPPCDPULF-KRWDZBQOSA-N 2 2 313.445 3.334 10 0 DGAELP CC[NH+](CC)CCCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112077630 194430991 /nfs/dbraw/zinc/43/09/91/194430991.db2.gz DTMWDOOFZSDLBQ-UHFFFAOYSA-N 2 2 313.449 3.381 10 0 DGAELP COC[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000249878895 285090459 /nfs/dbraw/zinc/09/04/59/285090459.db2.gz HICXRQCAXXEPNH-MOPGFXCFSA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000249878895 285090461 /nfs/dbraw/zinc/09/04/61/285090461.db2.gz HICXRQCAXXEPNH-MOPGFXCFSA-N 2 2 302.462 3.056 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000342822225 254060169 /nfs/dbraw/zinc/06/01/69/254060169.db2.gz KIPKKYHOSFGPDV-HZPDHXFCSA-N 2 2 303.431 3.077 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000342822225 254060171 /nfs/dbraw/zinc/06/01/71/254060171.db2.gz KIPKKYHOSFGPDV-HZPDHXFCSA-N 2 2 303.431 3.077 10 0 DGAELP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000343504068 254152432 /nfs/dbraw/zinc/15/24/32/254152432.db2.gz CWIGWFJFQGCXSQ-HNJRGHQBSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000343504068 254152434 /nfs/dbraw/zinc/15/24/34/254152434.db2.gz CWIGWFJFQGCXSQ-HNJRGHQBSA-N 2 2 316.489 3.444 10 0 DGAELP c1cn(Cc2ccccc2)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)n1 ZINC000343764214 254185826 /nfs/dbraw/zinc/18/58/26/254185826.db2.gz KHOPTLVUTLVVMV-UHFFFAOYSA-N 2 2 324.472 3.038 10 0 DGAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000302796109 285278904 /nfs/dbraw/zinc/27/89/04/285278904.db2.gz XBYWYWMMIWXPKL-IBGZPJMESA-N 2 2 310.441 3.373 10 0 DGAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000302796109 285278906 /nfs/dbraw/zinc/27/89/06/285278906.db2.gz XBYWYWMMIWXPKL-IBGZPJMESA-N 2 2 310.441 3.373 10 0 DGAELP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](CNc4cccc[nH+]4)[C@@H]3C2)nc1 ZINC000248123251 257107841 /nfs/dbraw/zinc/10/78/41/257107841.db2.gz VYZAOHYMKFZPSJ-AOIWGVFYSA-N 2 2 322.456 3.437 10 0 DGAELP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](CNc4cccc[nH+]4)[C@@H]3C2)nc1 ZINC000248123251 257107843 /nfs/dbraw/zinc/10/78/43/257107843.db2.gz VYZAOHYMKFZPSJ-AOIWGVFYSA-N 2 2 322.456 3.437 10 0 DGAELP c1ccc(N[C@@H]2CCO[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)[nH+]c1 ZINC000253596859 257105121 /nfs/dbraw/zinc/10/51/21/257105121.db2.gz WOAQSLUXIDPQIJ-QAPCUYQASA-N 2 2 301.434 3.060 10 0 DGAELP c1ccc(N[C@@H]2CCO[C@@]3(CC[N@H+](C4CCCC4)C3)C2)[nH+]c1 ZINC000253596859 257105123 /nfs/dbraw/zinc/10/51/23/257105123.db2.gz WOAQSLUXIDPQIJ-QAPCUYQASA-N 2 2 301.434 3.060 10 0 DGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1sccc1Br ZINC000313255102 292889605 /nfs/dbraw/zinc/88/96/05/292889605.db2.gz QWKVNHFRCIRUOW-SECBINFHSA-N 2 2 314.252 3.137 10 0 DGAELP Cc1cc2[nH+]c(-c3ccccc3)c(N3CC[NH2+]CC3)n2c(C)c1 ZINC000095936027 292022554 /nfs/dbraw/zinc/02/25/54/292022554.db2.gz XMFRPILSHBNXAD-UHFFFAOYSA-N 2 2 306.413 3.028 10 0 DGAELP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609635616 400184198 /nfs/dbraw/zinc/18/41/98/400184198.db2.gz BLXCFONMTYABOO-QZTJIDSGSA-N 2 2 324.509 3.306 10 0 DGAELP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609635616 400184204 /nfs/dbraw/zinc/18/42/04/400184204.db2.gz BLXCFONMTYABOO-QZTJIDSGSA-N 2 2 324.509 3.306 10 0 DGAELP CC[N@@H+](Cc1cccs1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690009 400224055 /nfs/dbraw/zinc/22/40/55/400224055.db2.gz UYSHTEJFTXORNI-QGZVFWFLSA-N 2 2 318.486 3.063 10 0 DGAELP CC[N@H+](Cc1cccs1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588690009 400224057 /nfs/dbraw/zinc/22/40/57/400224057.db2.gz UYSHTEJFTXORNI-QGZVFWFLSA-N 2 2 318.486 3.063 10 0 DGAELP CC[NH+](Cc1cccs1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690009 400224060 /nfs/dbraw/zinc/22/40/60/400224060.db2.gz UYSHTEJFTXORNI-QGZVFWFLSA-N 2 2 318.486 3.063 10 0 DGAELP CC[NH+](Cc1cccs1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690009 400224064 /nfs/dbraw/zinc/22/40/64/400224064.db2.gz UYSHTEJFTXORNI-QGZVFWFLSA-N 2 2 318.486 3.063 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000108867965 400347901 /nfs/dbraw/zinc/34/79/01/400347901.db2.gz LLNOEYBSOIABEA-CQSZACIVSA-N 2 2 314.433 3.149 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000108867965 400347912 /nfs/dbraw/zinc/34/79/12/400347912.db2.gz LLNOEYBSOIABEA-CQSZACIVSA-N 2 2 314.433 3.149 10 0 DGAELP c1cc(-c2ccc(N3CCCC3)[nH+]c2)cc([C@@H]2COCC[NH2+]2)c1 ZINC000629709781 401054204 /nfs/dbraw/zinc/05/42/04/401054204.db2.gz KTOIEDKWVGRMET-SFHVURJKSA-N 2 2 309.413 3.010 10 0 DGAELP COc1cc(C)c([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358240006 286007926 /nfs/dbraw/zinc/00/79/26/286007926.db2.gz QBEAOFHJUVMFJR-MRXNPFEDSA-N 2 2 318.461 3.315 10 0 DGAELP COc1cc(C)c([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358240006 286007928 /nfs/dbraw/zinc/00/79/28/286007928.db2.gz QBEAOFHJUVMFJR-MRXNPFEDSA-N 2 2 318.461 3.315 10 0 DGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000358241526 286008408 /nfs/dbraw/zinc/00/84/08/286008408.db2.gz RTTSAOWEXRMYLG-KRWDZBQOSA-N 2 2 310.445 3.175 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000358241526 286008409 /nfs/dbraw/zinc/00/84/09/286008409.db2.gz RTTSAOWEXRMYLG-KRWDZBQOSA-N 2 2 310.445 3.175 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019568 401405572 /nfs/dbraw/zinc/40/55/72/401405572.db2.gz IACUKVVVLVAFIN-YSIASYRMSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019568 401405574 /nfs/dbraw/zinc/40/55/74/401405574.db2.gz IACUKVVVLVAFIN-YSIASYRMSA-N 3 2 315.505 3.019 10 0 DGAELP c1[nH]c(C[NH2+]C2CC([NH+]3CCCCC3)C2)nc1-c1ccccc1 ZINC000358738413 286137745 /nfs/dbraw/zinc/13/77/45/286137745.db2.gz AINDQAYUWZMUQS-UHFFFAOYSA-N 2 2 310.445 3.183 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH+]c1 ZINC000364385822 287020671 /nfs/dbraw/zinc/02/06/71/287020671.db2.gz LWZWXQYTNRAPHO-OKZBNKHCSA-N 2 2 317.477 3.459 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[nH+]c1 ZINC000364385821 287020757 /nfs/dbraw/zinc/02/07/57/287020757.db2.gz LWZWXQYTNRAPHO-KZNAEPCWSA-N 2 2 317.477 3.459 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[nH+]c2ccccn12 ZINC000364660431 287050082 /nfs/dbraw/zinc/05/00/82/287050082.db2.gz SCEBCDKGVCKDQQ-CGTJXYLNSA-N 2 2 313.445 3.062 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000191426202 165250268 /nfs/dbraw/zinc/25/02/68/165250268.db2.gz BJDWRPGEJACKON-GOSISDBHSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000191426202 165250273 /nfs/dbraw/zinc/25/02/73/165250273.db2.gz BJDWRPGEJACKON-GOSISDBHSA-N 2 2 321.428 3.042 10 0 DGAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192053135 165280144 /nfs/dbraw/zinc/28/01/44/165280144.db2.gz QWQIANUMFWXWNY-IBGZPJMESA-N 2 2 312.461 3.097 10 0 DGAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192053135 165280148 /nfs/dbraw/zinc/28/01/48/165280148.db2.gz QWQIANUMFWXWNY-IBGZPJMESA-N 2 2 312.461 3.097 10 0 DGAELP Cc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190476941 432161486 /nfs/dbraw/zinc/16/14/86/432161486.db2.gz WLVIRQHNTOMIJE-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190476941 432161489 /nfs/dbraw/zinc/16/14/89/432161489.db2.gz WLVIRQHNTOMIJE-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190476941 432161492 /nfs/dbraw/zinc/16/14/92/432161492.db2.gz WLVIRQHNTOMIJE-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190476941 432161495 /nfs/dbraw/zinc/16/14/95/432161495.db2.gz WLVIRQHNTOMIJE-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP COc1ccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644997 432154745 /nfs/dbraw/zinc/15/47/45/432154745.db2.gz CZVNJYCCFKVSCV-KRWDZBQOSA-N 2 2 311.429 3.067 10 0 DGAELP COc1ccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171644997 432154749 /nfs/dbraw/zinc/15/47/49/432154749.db2.gz CZVNJYCCFKVSCV-KRWDZBQOSA-N 2 2 311.429 3.067 10 0 DGAELP Cc1cccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646873 432156327 /nfs/dbraw/zinc/15/63/27/432156327.db2.gz UTUOJMIBPPRQLT-QGZVFWFLSA-N 2 2 311.429 3.203 10 0 DGAELP Cc1cccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646873 432156330 /nfs/dbraw/zinc/15/63/30/432156330.db2.gz UTUOJMIBPPRQLT-QGZVFWFLSA-N 2 2 311.429 3.203 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000247030932 432194274 /nfs/dbraw/zinc/19/42/74/432194274.db2.gz MIKOGFLSIMVQRI-IAGOWNOFSA-N 2 2 319.836 3.043 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132717740 196278025 /nfs/dbraw/zinc/27/80/25/196278025.db2.gz UZVVVHRNRHBSRD-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132717740 196278026 /nfs/dbraw/zinc/27/80/26/196278026.db2.gz UZVVVHRNRHBSRD-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000132717740 196278028 /nfs/dbraw/zinc/27/80/28/196278028.db2.gz UZVVVHRNRHBSRD-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000132717740 196278030 /nfs/dbraw/zinc/27/80/30/196278030.db2.gz UZVVVHRNRHBSRD-ZIAGYGMSSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000346489936 264041076 /nfs/dbraw/zinc/04/10/76/264041076.db2.gz OCJUNLCKFCIJEV-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000346489936 264041078 /nfs/dbraw/zinc/04/10/78/264041078.db2.gz OCJUNLCKFCIJEV-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1ccc(N2CCC(Nc3cc[nH+]c(C(C)C)n3)CC2)[nH+]c1 ZINC000172763946 432234231 /nfs/dbraw/zinc/23/42/31/432234231.db2.gz CQWMYVZIWQIBDA-UHFFFAOYSA-N 2 2 311.433 3.384 10 0 DGAELP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151271850 432234797 /nfs/dbraw/zinc/23/47/97/432234797.db2.gz IUWVPHGKAURIBR-JKSUJKDBSA-N 2 2 316.445 3.239 10 0 DGAELP C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191240593 432238757 /nfs/dbraw/zinc/23/87/57/432238757.db2.gz UWLSSDIUNLHITN-CQSZACIVSA-N 2 2 324.432 3.070 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000368080377 271130604 /nfs/dbraw/zinc/13/06/04/271130604.db2.gz BWPMAXYHEASZBD-GFCCVEGCSA-N 2 2 302.447 3.171 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)CC2 ZINC000368080377 271130610 /nfs/dbraw/zinc/13/06/10/271130610.db2.gz BWPMAXYHEASZBD-GFCCVEGCSA-N 2 2 302.447 3.171 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1F ZINC000151493626 432250772 /nfs/dbraw/zinc/25/07/72/432250772.db2.gz HNPWMTXTGZLKPC-LBPRGKRZSA-N 2 2 314.339 3.396 10 0 DGAELP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000247949310 432254634 /nfs/dbraw/zinc/25/46/34/432254634.db2.gz DWPJWCGFBWUBBT-JXFKEZNVSA-N 2 2 309.457 3.459 10 0 DGAELP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000247949310 432254637 /nfs/dbraw/zinc/25/46/37/432254637.db2.gz DWPJWCGFBWUBBT-JXFKEZNVSA-N 2 2 309.457 3.459 10 0 DGAELP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000247949310 432254640 /nfs/dbraw/zinc/25/46/40/432254640.db2.gz DWPJWCGFBWUBBT-JXFKEZNVSA-N 2 2 309.457 3.459 10 0 DGAELP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000247949310 432254644 /nfs/dbraw/zinc/25/46/44/432254644.db2.gz DWPJWCGFBWUBBT-JXFKEZNVSA-N 2 2 309.457 3.459 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000338416804 276144683 /nfs/dbraw/zinc/14/46/83/276144683.db2.gz LCIPZGWXFNMUMY-AEFFLSMTSA-N 2 2 312.461 3.078 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000338416804 276144684 /nfs/dbraw/zinc/14/46/84/276144684.db2.gz LCIPZGWXFNMUMY-AEFFLSMTSA-N 2 2 312.461 3.078 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719883 276225142 /nfs/dbraw/zinc/22/51/42/276225142.db2.gz LXOOWLKYAGFTIV-HIFRSBDPSA-N 2 2 303.406 3.097 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719883 276225144 /nfs/dbraw/zinc/22/51/44/276225144.db2.gz LXOOWLKYAGFTIV-HIFRSBDPSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719883 276225146 /nfs/dbraw/zinc/22/51/46/276225146.db2.gz LXOOWLKYAGFTIV-HIFRSBDPSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719883 276225148 /nfs/dbraw/zinc/22/51/48/276225148.db2.gz LXOOWLKYAGFTIV-HIFRSBDPSA-N 2 2 303.406 3.097 10 0 DGAELP Cc1cc(N[C@H](C)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112074161 431248276 /nfs/dbraw/zinc/24/82/76/431248276.db2.gz ALUXWNKRHWNSIR-OAHLLOKOSA-N 2 2 311.433 3.133 10 0 DGAELP Cc1cc(NCC[NH+]2CCCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112074020 431248313 /nfs/dbraw/zinc/24/83/13/431248313.db2.gz BNTZNOCVZVJQHU-UHFFFAOYSA-N 2 2 311.433 3.135 10 0 DGAELP Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)nc(C2CC2)[nH+]1 ZINC000116261772 431498879 /nfs/dbraw/zinc/49/88/79/431498879.db2.gz GJKCIYAOHGFULU-UHFFFAOYSA-N 2 2 311.433 3.082 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000122926154 431849014 /nfs/dbraw/zinc/84/90/14/431849014.db2.gz PLTBHYMHZXIVDD-AWEZNQCLSA-N 2 2 309.417 3.159 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000122926154 431849017 /nfs/dbraw/zinc/84/90/17/431849017.db2.gz PLTBHYMHZXIVDD-AWEZNQCLSA-N 2 2 309.417 3.159 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043415 431907278 /nfs/dbraw/zinc/90/72/78/431907278.db2.gz HJRFEQHXJNBWOZ-HIFRSBDPSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043415 431907280 /nfs/dbraw/zinc/90/72/80/431907280.db2.gz HJRFEQHXJNBWOZ-HIFRSBDPSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043415 431907282 /nfs/dbraw/zinc/90/72/82/431907282.db2.gz HJRFEQHXJNBWOZ-HIFRSBDPSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043415 431907283 /nfs/dbraw/zinc/90/72/83/431907283.db2.gz HJRFEQHXJNBWOZ-HIFRSBDPSA-N 2 2 324.900 3.113 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000127702583 431978174 /nfs/dbraw/zinc/97/81/74/431978174.db2.gz BLANSYKFYWSPTR-UHFFFAOYSA-N 2 2 314.433 3.038 10 0 DGAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000248443497 432291571 /nfs/dbraw/zinc/29/15/71/432291571.db2.gz VVXPBPZVXLUPEY-HZPDHXFCSA-N 2 2 321.465 3.060 10 0 DGAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000248443497 432291577 /nfs/dbraw/zinc/29/15/77/432291577.db2.gz VVXPBPZVXLUPEY-HZPDHXFCSA-N 2 2 321.465 3.060 10 0 DGAELP CCn1cc([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000248928046 432329368 /nfs/dbraw/zinc/32/93/68/432329368.db2.gz XLGXKHASMONYAY-JTDSTZFVSA-N 2 2 312.461 3.074 10 0 DGAELP CCn1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000248928046 432329373 /nfs/dbraw/zinc/32/93/73/432329373.db2.gz XLGXKHASMONYAY-JTDSTZFVSA-N 2 2 312.461 3.074 10 0 DGAELP C[C@H]1CC[N@H+](Cc2ccc(Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000248913448 432329913 /nfs/dbraw/zinc/32/99/13/432329913.db2.gz YUSLZNDFZSYUHZ-WCQYABFASA-N 2 2 324.222 3.322 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2ccc(Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000248913448 432329915 /nfs/dbraw/zinc/32/99/15/432329915.db2.gz YUSLZNDFZSYUHZ-WCQYABFASA-N 2 2 324.222 3.322 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249184329 432340796 /nfs/dbraw/zinc/34/07/96/432340796.db2.gz JXHYDHQOVUYJIW-IEZWGBDMSA-N 2 2 324.472 3.489 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249184329 432340800 /nfs/dbraw/zinc/34/08/00/432340800.db2.gz JXHYDHQOVUYJIW-IEZWGBDMSA-N 2 2 324.472 3.489 10 0 DGAELP CCOC1CC(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000249141366 432341642 /nfs/dbraw/zinc/34/16/42/432341642.db2.gz WGEFDBPNAIQJBA-SGZDXZSOSA-N 2 2 316.489 3.302 10 0 DGAELP CCOC1CC(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000249141366 432341647 /nfs/dbraw/zinc/34/16/47/432341647.db2.gz WGEFDBPNAIQJBA-SGZDXZSOSA-N 2 2 316.489 3.302 10 0 DGAELP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192287495 432354491 /nfs/dbraw/zinc/35/44/91/432354491.db2.gz OKYNBGRGBMBCMF-HOTGVXAUSA-N 2 2 313.445 3.442 10 0 DGAELP CCOC(=O)CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000173937765 432308981 /nfs/dbraw/zinc/30/89/81/432308981.db2.gz YYWGAJNVZOUWAU-SJORKVTESA-N 2 2 310.482 3.057 10 0 DGAELP CCOC(=O)CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000173937765 432308986 /nfs/dbraw/zinc/30/89/86/432308986.db2.gz YYWGAJNVZOUWAU-SJORKVTESA-N 2 2 310.482 3.057 10 0 DGAELP CCOC(=O)CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173937765 432308990 /nfs/dbraw/zinc/30/89/90/432308990.db2.gz YYWGAJNVZOUWAU-SJORKVTESA-N 2 2 310.482 3.057 10 0 DGAELP CCOC(=O)CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173937765 432308993 /nfs/dbraw/zinc/30/89/93/432308993.db2.gz YYWGAJNVZOUWAU-SJORKVTESA-N 2 2 310.482 3.057 10 0 DGAELP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248655177 432311425 /nfs/dbraw/zinc/31/14/25/432311425.db2.gz BGCAPIPDAKTLEO-IKGGRYGDSA-N 2 2 308.853 3.244 10 0 DGAELP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248655177 432311428 /nfs/dbraw/zinc/31/14/28/432311428.db2.gz BGCAPIPDAKTLEO-IKGGRYGDSA-N 2 2 308.853 3.244 10 0 DGAELP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248655180 432311679 /nfs/dbraw/zinc/31/16/79/432311679.db2.gz BGCAPIPDAKTLEO-ULQDDVLXSA-N 2 2 308.853 3.244 10 0 DGAELP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248655180 432311682 /nfs/dbraw/zinc/31/16/82/432311682.db2.gz BGCAPIPDAKTLEO-ULQDDVLXSA-N 2 2 308.853 3.244 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@H]2CCCNc3ccccc32)c[nH+]1 ZINC000192654356 432396729 /nfs/dbraw/zinc/39/67/29/432396729.db2.gz WOZSOIGHRJLTMH-SFHVURJKSA-N 2 2 319.412 3.304 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000152946844 432370106 /nfs/dbraw/zinc/37/01/06/432370106.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000152946844 432370109 /nfs/dbraw/zinc/37/01/09/432370109.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000152946844 432370115 /nfs/dbraw/zinc/37/01/15/432370115.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 3 2 315.505 3.113 10 0 DGAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000261658724 432438818 /nfs/dbraw/zinc/43/88/18/432438818.db2.gz HZOSRABIPIUZLZ-VQTJNVASSA-N 2 2 322.452 3.402 10 0 DGAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)C[C@H]1c1ccccc1 ZINC000261658724 432438821 /nfs/dbraw/zinc/43/88/21/432438821.db2.gz HZOSRABIPIUZLZ-VQTJNVASSA-N 2 2 322.452 3.402 10 0 DGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184699762 432422006 /nfs/dbraw/zinc/42/20/06/432422006.db2.gz LUQJZCUWSMBBRU-LLVKDONJSA-N 2 2 324.683 3.435 10 0 DGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184699762 432422009 /nfs/dbraw/zinc/42/20/09/432422009.db2.gz LUQJZCUWSMBBRU-LLVKDONJSA-N 2 2 324.683 3.435 10 0 DGAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H]2c2cccc3ccccc32)no1 ZINC000262203562 432479146 /nfs/dbraw/zinc/47/91/46/432479146.db2.gz KRDDOPOWOFUSCB-INIZCTEOSA-N 2 2 308.385 3.019 10 0 DGAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)no1 ZINC000262203562 432479149 /nfs/dbraw/zinc/47/91/49/432479149.db2.gz KRDDOPOWOFUSCB-INIZCTEOSA-N 2 2 308.385 3.019 10 0 DGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000154542089 432506535 /nfs/dbraw/zinc/50/65/35/432506535.db2.gz IGPBRJMPQYHAMN-AAEUAGOBSA-N 2 2 314.376 3.041 10 0 DGAELP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000154542089 432506538 /nfs/dbraw/zinc/50/65/38/432506538.db2.gz IGPBRJMPQYHAMN-AAEUAGOBSA-N 2 2 314.376 3.041 10 0 DGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154591069 432508470 /nfs/dbraw/zinc/50/84/70/432508470.db2.gz IAGHBKOKLPXAHZ-DOMZBBRYSA-N 2 2 316.474 3.258 10 0 DGAELP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154591069 432508475 /nfs/dbraw/zinc/50/84/75/432508475.db2.gz IAGHBKOKLPXAHZ-DOMZBBRYSA-N 2 2 316.474 3.258 10 0 DGAELP Cc1cc(NC2CC[NH+](CC3CC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000195303663 432616617 /nfs/dbraw/zinc/61/66/17/432616617.db2.gz WBLRGIXJUKGCMZ-UHFFFAOYSA-N 2 2 323.444 3.133 10 0 DGAELP Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178124691 432697179 /nfs/dbraw/zinc/69/71/79/432697179.db2.gz RFWJRXLYLXLPSC-KGLIPLIRSA-N 2 2 309.417 3.326 10 0 DGAELP CCCc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300344 432715927 /nfs/dbraw/zinc/71/59/27/432715927.db2.gz MDIHQCFXMLEONZ-HNNXBMFYSA-N 2 2 304.463 3.265 10 0 DGAELP CCCc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300344 432715932 /nfs/dbraw/zinc/71/59/32/432715932.db2.gz MDIHQCFXMLEONZ-HNNXBMFYSA-N 2 2 304.463 3.265 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000178325154 432720385 /nfs/dbraw/zinc/72/03/85/432720385.db2.gz YGSUTHIOKVNZCA-OAHLLOKOSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000178325154 432720389 /nfs/dbraw/zinc/72/03/89/432720389.db2.gz YGSUTHIOKVNZCA-OAHLLOKOSA-N 2 2 321.371 3.458 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413281 432827968 /nfs/dbraw/zinc/82/79/68/432827968.db2.gz BICOHTAYAVGPNZ-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413281 432827971 /nfs/dbraw/zinc/82/79/71/432827971.db2.gz BICOHTAYAVGPNZ-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413281 432827973 /nfs/dbraw/zinc/82/79/73/432827973.db2.gz BICOHTAYAVGPNZ-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413281 432827975 /nfs/dbraw/zinc/82/79/75/432827975.db2.gz BICOHTAYAVGPNZ-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245737083 432859952 /nfs/dbraw/zinc/85/99/52/432859952.db2.gz LAFXZJDQGRBXJA-GOEBONIOSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245737083 432859955 /nfs/dbraw/zinc/85/99/55/432859955.db2.gz LAFXZJDQGRBXJA-GOEBONIOSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245737083 432859957 /nfs/dbraw/zinc/85/99/57/432859957.db2.gz LAFXZJDQGRBXJA-GOEBONIOSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000245737083 432859960 /nfs/dbraw/zinc/85/99/60/432859960.db2.gz LAFXZJDQGRBXJA-GOEBONIOSA-N 2 2 306.450 3.008 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000163170962 432844651 /nfs/dbraw/zinc/84/46/51/432844651.db2.gz NAROPWOKBWEKEQ-HNNXBMFYSA-N 2 2 302.447 3.190 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000163170962 432844654 /nfs/dbraw/zinc/84/46/54/432844654.db2.gz NAROPWOKBWEKEQ-HNNXBMFYSA-N 2 2 302.447 3.190 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000245566049 432846734 /nfs/dbraw/zinc/84/67/34/432846734.db2.gz SFWUWNBETQTETJ-MSOLQXFVSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000245566049 432846738 /nfs/dbraw/zinc/84/67/38/432846738.db2.gz SFWUWNBETQTETJ-MSOLQXFVSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000245566049 432846740 /nfs/dbraw/zinc/84/67/40/432846740.db2.gz SFWUWNBETQTETJ-MSOLQXFVSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000245566049 432846743 /nfs/dbraw/zinc/84/67/43/432846743.db2.gz SFWUWNBETQTETJ-MSOLQXFVSA-N 2 2 318.509 3.380 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163211951 432847105 /nfs/dbraw/zinc/84/71/05/432847105.db2.gz PBKCIADSAMKAPL-WDEREUQCSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163211951 432847108 /nfs/dbraw/zinc/84/71/08/432847108.db2.gz PBKCIADSAMKAPL-WDEREUQCSA-N 2 2 303.233 3.041 10 0 DGAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000245617692 432850675 /nfs/dbraw/zinc/85/06/75/432850675.db2.gz MJBKCTLKIRHEOJ-HOCLYGCPSA-N 2 2 302.809 3.296 10 0 DGAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000245617692 432850676 /nfs/dbraw/zinc/85/06/76/432850676.db2.gz MJBKCTLKIRHEOJ-HOCLYGCPSA-N 2 2 302.809 3.296 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245698435 432856519 /nfs/dbraw/zinc/85/65/19/432856519.db2.gz BHVMBABRIGKNBO-CRAIPNDOSA-N 2 2 321.428 3.356 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245698435 432856522 /nfs/dbraw/zinc/85/65/22/432856522.db2.gz BHVMBABRIGKNBO-CRAIPNDOSA-N 2 2 321.428 3.356 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715042 432858476 /nfs/dbraw/zinc/85/84/76/432858476.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715042 432858478 /nfs/dbraw/zinc/85/84/78/432858478.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715042 432858481 /nfs/dbraw/zinc/85/84/81/432858481.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715042 432858483 /nfs/dbraw/zinc/85/84/83/432858483.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715042 432858485 /nfs/dbraw/zinc/85/84/85/432858485.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715042 432858488 /nfs/dbraw/zinc/85/84/88/432858488.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715042 432858490 /nfs/dbraw/zinc/85/84/90/432858490.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715042 432858491 /nfs/dbraw/zinc/85/84/91/432858491.db2.gz GSVWPSCOQUIMJC-YJBOKZPZSA-N 2 2 312.461 3.239 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000341410988 433052049 /nfs/dbraw/zinc/05/20/49/433052049.db2.gz VTRIBYHTPFHVNY-GVDBMIGSSA-N 2 2 303.450 3.069 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000446977789 433140680 /nfs/dbraw/zinc/14/06/80/433140680.db2.gz RQABJHNDYFQFTR-MAUKXSAKSA-N 2 2 302.462 3.233 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000446977789 433140689 /nfs/dbraw/zinc/14/06/89/433140689.db2.gz RQABJHNDYFQFTR-MAUKXSAKSA-N 2 2 302.462 3.233 10 0 DGAELP C=Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cn1 ZINC000290576023 433102103 /nfs/dbraw/zinc/10/21/03/433102103.db2.gz UEVXQERKYKAZLH-RBUKOAKNSA-N 2 2 319.412 3.199 10 0 DGAELP Cc1nccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519041 433207948 /nfs/dbraw/zinc/20/79/48/433207948.db2.gz IUSYGNWAKATLRZ-IBGZPJMESA-N 2 2 324.472 3.175 10 0 DGAELP Cc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519041 433207956 /nfs/dbraw/zinc/20/79/56/433207956.db2.gz IUSYGNWAKATLRZ-IBGZPJMESA-N 2 2 324.472 3.175 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384418 433224776 /nfs/dbraw/zinc/22/47/76/433224776.db2.gz KLZLDZXEMKSNFE-LSDHHAIUSA-N 2 2 305.491 3.152 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384418 433224788 /nfs/dbraw/zinc/22/47/88/433224788.db2.gz KLZLDZXEMKSNFE-LSDHHAIUSA-N 2 2 305.491 3.152 10 0 DGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCCC34CCC4)C2)cc1 ZINC000375334516 433432935 /nfs/dbraw/zinc/43/29/35/433432935.db2.gz CPJDACSQVHNLFI-IBGZPJMESA-N 2 2 314.473 3.296 10 0 DGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCCC34CCC4)C2)cc1 ZINC000375334516 433432943 /nfs/dbraw/zinc/43/29/43/433432943.db2.gz CPJDACSQVHNLFI-IBGZPJMESA-N 2 2 314.473 3.296 10 0 DGAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCCC34CCC4)C2)cc1 ZINC000375334516 433432951 /nfs/dbraw/zinc/43/29/51/433432951.db2.gz CPJDACSQVHNLFI-IBGZPJMESA-N 2 2 314.473 3.296 10 0 DGAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCCC34CCC4)C2)cc1 ZINC000375334516 433432959 /nfs/dbraw/zinc/43/29/59/433432959.db2.gz CPJDACSQVHNLFI-IBGZPJMESA-N 2 2 314.473 3.296 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000370080445 293154352 /nfs/dbraw/zinc/15/43/52/293154352.db2.gz IKMBQAGDPUQZDJ-LULLPPNCSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000370080445 293154357 /nfs/dbraw/zinc/15/43/57/293154357.db2.gz IKMBQAGDPUQZDJ-LULLPPNCSA-N 2 2 306.494 3.188 10 0 DGAELP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000376596691 433783105 /nfs/dbraw/zinc/78/31/05/433783105.db2.gz WSUNYQAZCVCOOO-CQSZACIVSA-N 2 2 316.474 3.364 10 0 DGAELP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000376596691 433783115 /nfs/dbraw/zinc/78/31/15/433783115.db2.gz WSUNYQAZCVCOOO-CQSZACIVSA-N 2 2 316.474 3.364 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293777541 433863677 /nfs/dbraw/zinc/86/36/77/433863677.db2.gz PXZKCJMWVQUVMW-GXSJLCMTSA-N 2 2 315.280 3.182 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293777541 433863683 /nfs/dbraw/zinc/86/36/83/433863683.db2.gz PXZKCJMWVQUVMW-GXSJLCMTSA-N 2 2 315.280 3.182 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293777548 433863780 /nfs/dbraw/zinc/86/37/80/433863780.db2.gz PXZKCJMWVQUVMW-ONGXEEELSA-N 2 2 315.280 3.182 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293777548 433863789 /nfs/dbraw/zinc/86/37/89/433863789.db2.gz PXZKCJMWVQUVMW-ONGXEEELSA-N 2 2 315.280 3.182 10 0 DGAELP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CCSC1 ZINC000436288668 433928636 /nfs/dbraw/zinc/92/86/36/433928636.db2.gz GKCRZGCRCOSNOF-SQNIBIBYSA-N 2 2 304.503 3.350 10 0 DGAELP c1cn(-c2ncccc2CNc2cc[nH+]c3ccsc32)c[nH+]1 ZINC000378031880 293737151 /nfs/dbraw/zinc/73/71/51/293737151.db2.gz YKMPFIYOQIMRFZ-UHFFFAOYSA-N 2 2 307.382 3.489 10 0 DGAELP C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400748365 293865629 /nfs/dbraw/zinc/86/56/29/293865629.db2.gz UZVVWCHAMTVYTI-APWZRJJASA-N 2 2 310.441 3.496 10 0 DGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(Br)cs1 ZINC000313254158 434127538 /nfs/dbraw/zinc/12/75/38/434127538.db2.gz OMCXBRQPSPJIPV-VIFPVBQESA-N 2 2 314.252 3.137 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866675 434165808 /nfs/dbraw/zinc/16/58/08/434165808.db2.gz QMOSNAQCEAYTKP-HHXXYDBFSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866675 434165819 /nfs/dbraw/zinc/16/58/19/434165819.db2.gz QMOSNAQCEAYTKP-HHXXYDBFSA-N 2 2 324.472 3.346 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000379633262 434258391 /nfs/dbraw/zinc/25/83/91/434258391.db2.gz TYYOTWRWKZFYAQ-LJQANCHMSA-N 2 2 318.505 3.428 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000379633262 434258396 /nfs/dbraw/zinc/25/83/96/434258396.db2.gz TYYOTWRWKZFYAQ-LJQANCHMSA-N 2 2 318.505 3.428 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1CCC[NH2+]C1)CCCC2 ZINC000423192893 434276489 /nfs/dbraw/zinc/27/64/89/434276489.db2.gz QCJCKZDDZJAQND-SJLPKXTDSA-N 2 2 300.446 3.121 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000389159050 434342991 /nfs/dbraw/zinc/34/29/91/434342991.db2.gz AECIEXHZJSOTAO-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000389159050 434343002 /nfs/dbraw/zinc/34/30/02/434343002.db2.gz AECIEXHZJSOTAO-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400748899 434489428 /nfs/dbraw/zinc/48/94/28/434489428.db2.gz UZVVWCHAMTVYTI-QFBILLFUSA-N 2 2 310.441 3.496 10 0 DGAELP c1ncn(Cc2ccccc2)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000527075867 295075928 /nfs/dbraw/zinc/07/59/28/295075928.db2.gz PFZBJSPASXSLNB-UHFFFAOYSA-N 2 2 321.428 3.034 10 0 DGAELP Brc1sccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000527633535 295107089 /nfs/dbraw/zinc/10/70/89/295107089.db2.gz VCJAKOMVVFKPPV-UHFFFAOYSA-N 2 2 317.296 3.476 10 0 DGAELP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527670397 295113030 /nfs/dbraw/zinc/11/30/30/295113030.db2.gz OBRHWMMLZSZTQL-NWDGAFQWSA-N 2 2 317.296 3.473 10 0 DGAELP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527810088 295134719 /nfs/dbraw/zinc/13/47/19/295134719.db2.gz USTDGKLDESLSEN-SFHVURJKSA-N 2 2 310.445 3.183 10 0 DGAELP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527810088 295134720 /nfs/dbraw/zinc/13/47/20/295134720.db2.gz USTDGKLDESLSEN-SFHVURJKSA-N 2 2 310.445 3.183 10 0 DGAELP CCCc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000361164096 434818311 /nfs/dbraw/zinc/81/83/11/434818311.db2.gz DEBTXFXRYBYGMV-UHFFFAOYSA-N 2 2 310.445 3.060 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466407196 435077078 /nfs/dbraw/zinc/07/70/78/435077078.db2.gz AIDBTZDDWJHHLR-TVKQPGBESA-N 2 2 316.489 3.300 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466407196 435077082 /nfs/dbraw/zinc/07/70/82/435077082.db2.gz AIDBTZDDWJHHLR-TVKQPGBESA-N 2 2 316.489 3.300 10 0 DGAELP Brc1ccc2oc(C[NH2+]CCC[NH+]3CCC3)cc2c1 ZINC000570060972 435587079 /nfs/dbraw/zinc/58/70/79/435587079.db2.gz ZRFMSZPTXXNESX-UHFFFAOYSA-N 2 2 323.234 3.381 10 0 DGAELP Cc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]c1C ZINC000572258030 435802478 /nfs/dbraw/zinc/80/24/78/435802478.db2.gz HNHMQJUSYOUAEH-YQQQUEKLSA-N 2 2 324.472 3.312 10 0 DGAELP Cc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]c1C ZINC000572258030 435802482 /nfs/dbraw/zinc/80/24/82/435802482.db2.gz HNHMQJUSYOUAEH-YQQQUEKLSA-N 2 2 324.472 3.312 10 0 DGAELP Cc1[nH]c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c1C ZINC000572258030 435802491 /nfs/dbraw/zinc/80/24/91/435802491.db2.gz HNHMQJUSYOUAEH-YQQQUEKLSA-N 2 2 324.472 3.312 10 0 DGAELP Cc1[nH]c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c1C ZINC000572258030 435802498 /nfs/dbraw/zinc/80/24/98/435802498.db2.gz HNHMQJUSYOUAEH-YQQQUEKLSA-N 2 2 324.472 3.312 10 0 DGAELP Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224169 313343002 /nfs/dbraw/zinc/34/30/02/313343002.db2.gz VAKSGMZXMCNJTQ-CABCVRRESA-N 2 2 321.262 3.311 10 0 DGAELP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530244758 313347014 /nfs/dbraw/zinc/34/70/14/313347014.db2.gz NHCGTHKWYPTXRW-LJQANCHMSA-N 2 2 323.440 3.035 10 0 DGAELP C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000180125829 323221922 /nfs/dbraw/zinc/22/19/22/323221922.db2.gz JMYPQRCKYAYGPV-KDOFPFPSSA-N 2 2 322.880 3.349 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCC3CCOCC3)C2)n2c1CCCC2 ZINC000433206377 534534943 /nfs/dbraw/zinc/53/49/43/534534943.db2.gz HMGZLPPBCLVMHT-KRWDZBQOSA-N 2 2 317.477 3.216 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CCC3CCOCC3)C2)n2c1CCCC2 ZINC000433206377 534534948 /nfs/dbraw/zinc/53/49/48/534534948.db2.gz HMGZLPPBCLVMHT-KRWDZBQOSA-N 2 2 317.477 3.216 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000163270314 527395326 /nfs/dbraw/zinc/39/53/26/527395326.db2.gz FGVKMWWWUDTCMR-INIZCTEOSA-N 2 2 305.447 3.107 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000163270314 527395333 /nfs/dbraw/zinc/39/53/33/527395333.db2.gz FGVKMWWWUDTCMR-INIZCTEOSA-N 2 2 305.447 3.107 10 0 DGAELP FC(F)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177100493 546119973 /nfs/dbraw/zinc/11/99/73/546119973.db2.gz CMQCNYADWDRUEB-AWEZNQCLSA-N 2 2 307.344 3.149 10 0 DGAELP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177100493 546119976 /nfs/dbraw/zinc/11/99/76/546119976.db2.gz CMQCNYADWDRUEB-AWEZNQCLSA-N 2 2 307.344 3.149 10 0 DGAELP FC(F)COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188413866 546205317 /nfs/dbraw/zinc/20/53/17/546205317.db2.gz NQRFMUZXHYWMIW-HNNXBMFYSA-N 2 2 321.371 3.192 10 0 DGAELP FC(F)COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000188413866 546205322 /nfs/dbraw/zinc/20/53/22/546205322.db2.gz NQRFMUZXHYWMIW-HNNXBMFYSA-N 2 2 321.371 3.192 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250268433 546328213 /nfs/dbraw/zinc/32/82/13/546328213.db2.gz YOTKABGRFFDVLT-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250268433 546328215 /nfs/dbraw/zinc/32/82/15/546328215.db2.gz YOTKABGRFFDVLT-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085868 546469075 /nfs/dbraw/zinc/46/90/75/546469075.db2.gz SRTXMYDOGPAWPE-AEFFLSMTSA-N 2 2 311.429 3.306 10 0 DGAELP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085868 546469076 /nfs/dbraw/zinc/46/90/76/546469076.db2.gz SRTXMYDOGPAWPE-AEFFLSMTSA-N 2 2 311.429 3.306 10 0 DGAELP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390557249 546754204 /nfs/dbraw/zinc/75/42/04/546754204.db2.gz INHDVVXUVKGBQH-GUDVDZBRSA-N 2 2 302.462 3.198 10 0 DGAELP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390557249 546754207 /nfs/dbraw/zinc/75/42/07/546754207.db2.gz INHDVVXUVKGBQH-GUDVDZBRSA-N 2 2 302.462 3.198 10 0 DGAELP c1nc(C2CC2)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000486961530 546914995 /nfs/dbraw/zinc/91/49/95/546914995.db2.gz CDJDTBOFCJBTKQ-UHFFFAOYSA-N 2 2 314.458 3.174 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128638598 625059894 /nfs/dbraw/zinc/05/98/94/625059894.db2.gz WPBQAXKMXNSCGX-CYBMUJFWSA-N 2 2 303.837 3.272 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128638598 625059899 /nfs/dbraw/zinc/05/98/99/625059899.db2.gz WPBQAXKMXNSCGX-CYBMUJFWSA-N 2 2 303.837 3.272 10 0 DGAELP C[C@@H](C[NH2+]C1CC(OCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000716244934 661220553 /nfs/dbraw/zinc/22/05/53/661220553.db2.gz BZRCKZOKIGMGIW-IVMQYODDSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720878793 658155141 /nfs/dbraw/zinc/15/51/41/658155141.db2.gz UDGICWMWFZCLTN-XWIASGKRSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720878793 658155143 /nfs/dbraw/zinc/15/51/43/658155143.db2.gz UDGICWMWFZCLTN-XWIASGKRSA-N 2 2 306.759 3.470 10 0 DGAELP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000072738109 1196109701 /nfs/dbraw/zinc/10/97/01/1196109701.db2.gz UYMPJZFFZMLEOI-UHFFFAOYSA-N 2 2 323.278 3.498 10 0 DGAELP Cc1cc(Br)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000151311023 1099520842 /nfs/dbraw/zinc/52/08/42/1099520842.db2.gz MXOBZSNFWVTCHM-UHFFFAOYSA-N 2 2 308.223 3.134 10 0 DGAELP COCC1(C[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCC1 ZINC000718010264 1104479963 /nfs/dbraw/zinc/47/99/63/1104479963.db2.gz ZMPJOZPAPPHOMF-IBGZPJMESA-N 2 2 316.489 3.303 10 0 DGAELP COCC1(C[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000718010264 1104479967 /nfs/dbraw/zinc/47/99/67/1104479967.db2.gz ZMPJOZPAPPHOMF-IBGZPJMESA-N 2 2 316.489 3.303 10 0 DGAELP c1ccc(C[NH+](CCC[NH2+]C2COC2)Cc2ccccc2)cc1 ZINC000307373342 231093504 /nfs/dbraw/zinc/09/35/04/231093504.db2.gz RUCDNKBILBGCEP-UHFFFAOYSA-N 2 2 310.441 3.067 10 0 DGAELP Cc1cn2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c(C)nc2s1 ZINC000092648884 185331485 /nfs/dbraw/zinc/33/14/85/185331485.db2.gz WWTWPOUNOXSHRH-UHFFFAOYSA-N 2 2 315.446 3.046 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191831485 186260910 /nfs/dbraw/zinc/26/09/10/186260910.db2.gz DTFZFMCBIAGNBV-KDOFPFPSSA-N 2 2 322.880 3.319 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc2ccccc12 ZINC000072719604 191220230 /nfs/dbraw/zinc/22/02/30/191220230.db2.gz WWOJPDSJENZUIU-KRWDZBQOSA-N 2 2 324.472 3.246 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc2ccccc12 ZINC000072719604 191220233 /nfs/dbraw/zinc/22/02/33/191220233.db2.gz WWOJPDSJENZUIU-KRWDZBQOSA-N 2 2 324.472 3.246 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192765844 283060817 /nfs/dbraw/zinc/06/08/17/283060817.db2.gz OPSGGHRWQKQORK-SJLPKXTDSA-N 2 2 306.413 3.431 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000192765844 283060821 /nfs/dbraw/zinc/06/08/21/283060821.db2.gz OPSGGHRWQKQORK-SJLPKXTDSA-N 2 2 306.413 3.431 10 0 DGAELP Fc1ccc(SCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000133668182 432069037 /nfs/dbraw/zinc/06/90/37/432069037.db2.gz GYSAWUISANYSPI-UHFFFAOYSA-N 2 2 308.466 3.382 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000180124053 199120610 /nfs/dbraw/zinc/12/06/10/199120610.db2.gz KFEPIDRVVLKPRK-SFHVURJKSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000180124053 199120612 /nfs/dbraw/zinc/12/06/12/199120612.db2.gz KFEPIDRVVLKPRK-SFHVURJKSA-N 2 2 321.428 3.246 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000091670933 193089564 /nfs/dbraw/zinc/08/95/64/193089564.db2.gz CFMJUOFHQXZBTL-UHFFFAOYSA-N 2 2 318.852 3.256 10 0 DGAELP C[C@]1(C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]C1 ZINC000261980342 291378110 /nfs/dbraw/zinc/37/81/10/291378110.db2.gz JCVSBNANKUXSPA-HNNXBMFYSA-N 2 2 300.368 3.441 10 0 DGAELP C[C@]1(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]C1 ZINC000261980342 291378111 /nfs/dbraw/zinc/37/81/11/291378111.db2.gz JCVSBNANKUXSPA-HNNXBMFYSA-N 2 2 300.368 3.441 10 0 DGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753242 193300699 /nfs/dbraw/zinc/30/06/99/193300699.db2.gz DBOQTMYVLPTZSP-INIZCTEOSA-N 2 2 312.461 3.240 10 0 DGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753242 193300701 /nfs/dbraw/zinc/30/07/01/193300701.db2.gz DBOQTMYVLPTZSP-INIZCTEOSA-N 2 2 312.461 3.240 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753242 193300703 /nfs/dbraw/zinc/30/07/03/193300703.db2.gz DBOQTMYVLPTZSP-INIZCTEOSA-N 2 2 312.461 3.240 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753242 193300706 /nfs/dbraw/zinc/30/07/06/193300706.db2.gz DBOQTMYVLPTZSP-INIZCTEOSA-N 2 2 312.461 3.240 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000093644845 193281151 /nfs/dbraw/zinc/28/11/51/193281151.db2.gz UJXBHJVSEROJBL-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000093644845 193281152 /nfs/dbraw/zinc/28/11/52/193281152.db2.gz UJXBHJVSEROJBL-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644845 193281154 /nfs/dbraw/zinc/28/11/54/193281154.db2.gz UJXBHJVSEROJBL-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644845 193281156 /nfs/dbraw/zinc/28/11/56/193281156.db2.gz UJXBHJVSEROJBL-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP [NH3+][C@H](c1ccc(O)cc1Cl)[C@@H]([NH3+])c1ccc(O)cc1Cl ZINC000022931057 182341850 /nfs/dbraw/zinc/34/18/50/182341850.db2.gz FLWHMEPBYLAJEI-OKILXGFUSA-N 2 2 313.184 3.104 10 0 DGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246597604 432146770 /nfs/dbraw/zinc/14/67/70/432146770.db2.gz ORFZCDFTZCWKHK-MGPQQGTHSA-N 2 2 317.437 3.208 10 0 DGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246597604 432146772 /nfs/dbraw/zinc/14/67/72/432146772.db2.gz ORFZCDFTZCWKHK-MGPQQGTHSA-N 2 2 317.437 3.208 10 0 DGAELP Cc1cccn2c(C[NH2+]CCc3cc(C)c(O)c(C)c3)c[nH+]c12 ZINC000190392006 432150137 /nfs/dbraw/zinc/15/01/37/432150137.db2.gz KWDSDJKCHAGIIG-UHFFFAOYSA-N 2 2 309.413 3.297 10 0 DGAELP [NH3+]CC[N@H+](Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000042428411 183269247 /nfs/dbraw/zinc/26/92/47/183269247.db2.gz HXNITHJVLJTWDD-UHFFFAOYSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[N@@H+](Cc1ccc(F)c(Br)c1)C1CCCC1 ZINC000042428411 183269249 /nfs/dbraw/zinc/26/92/49/183269249.db2.gz HXNITHJVLJTWDD-UHFFFAOYSA-N 2 2 315.230 3.292 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634441 432150323 /nfs/dbraw/zinc/15/03/23/432150323.db2.gz HWQHOLFAPXEKBC-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634441 432150324 /nfs/dbraw/zinc/15/03/24/432150324.db2.gz HWQHOLFAPXEKBC-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634441 432150318 /nfs/dbraw/zinc/15/03/18/432150318.db2.gz HWQHOLFAPXEKBC-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000246634441 432150320 /nfs/dbraw/zinc/15/03/20/432150320.db2.gz HWQHOLFAPXEKBC-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000105897231 194161960 /nfs/dbraw/zinc/16/19/60/194161960.db2.gz DBFPXDCHQYWHNQ-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000105897231 194161962 /nfs/dbraw/zinc/16/19/62/194161962.db2.gz DBFPXDCHQYWHNQ-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CC[NH+](CC)[C@H](CNc1cc[nH+]c(C2CC2)n1)c1ccco1 ZINC000110319329 194321721 /nfs/dbraw/zinc/32/17/21/194321721.db2.gz VSGLUOIMHZTDKL-CQSZACIVSA-N 2 2 300.406 3.442 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000119720814 195025560 /nfs/dbraw/zinc/02/55/60/195025560.db2.gz VPASNADQHPIRFG-OAHLLOKOSA-N 2 2 313.405 3.018 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CC[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443426 253116402 /nfs/dbraw/zinc/11/64/02/253116402.db2.gz OIUJFHYTLYJHDD-FUHWJXTLSA-N 2 2 317.477 3.358 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CC[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443426 253116403 /nfs/dbraw/zinc/11/64/03/253116403.db2.gz OIUJFHYTLYJHDD-FUHWJXTLSA-N 2 2 317.477 3.358 10 0 DGAELP C[N@@H+]1[C@H](COCC2CC2)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096207205 257133583 /nfs/dbraw/zinc/13/35/83/257133583.db2.gz OSJSRMLZCUCWNL-KRWDZBQOSA-N 2 2 318.461 3.135 10 0 DGAELP C[N@H+]1[C@H](COCC2CC2)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096207205 257133585 /nfs/dbraw/zinc/13/35/85/257133585.db2.gz OSJSRMLZCUCWNL-KRWDZBQOSA-N 2 2 318.461 3.135 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000121755483 195341174 /nfs/dbraw/zinc/34/11/74/195341174.db2.gz JPQUOTBXYTVNAN-UHFFFAOYSA-N 2 2 305.372 3.153 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616608249 400183972 /nfs/dbraw/zinc/18/39/72/400183972.db2.gz NXEYQHFWXOYALW-MRXNPFEDSA-N 2 2 319.449 3.154 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616608249 400183976 /nfs/dbraw/zinc/18/39/76/400183976.db2.gz NXEYQHFWXOYALW-MRXNPFEDSA-N 2 2 319.449 3.154 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1nccc2ccccc21 ZINC000616680915 400201784 /nfs/dbraw/zinc/20/17/84/400201784.db2.gz RDAALSLXNZRSEX-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1nccc2ccccc21 ZINC000616680915 400201787 /nfs/dbraw/zinc/20/17/87/400201787.db2.gz RDAALSLXNZRSEX-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000068874813 400296574 /nfs/dbraw/zinc/29/65/74/400296574.db2.gz CKFDCDNCDFDGME-INIZCTEOSA-N 2 2 313.449 3.235 10 0 DGAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000124500216 400476340 /nfs/dbraw/zinc/47/63/40/400476340.db2.gz KTNQZULVPOSALG-MNOVXSKESA-N 2 2 303.233 3.184 10 0 DGAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000124500216 400476344 /nfs/dbraw/zinc/47/63/44/400476344.db2.gz KTNQZULVPOSALG-MNOVXSKESA-N 2 2 303.233 3.184 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019559 401405338 /nfs/dbraw/zinc/40/53/38/401405338.db2.gz IACUKVVVLVAFIN-DFQSSKMNSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019559 401405340 /nfs/dbraw/zinc/40/53/40/401405340.db2.gz IACUKVVVLVAFIN-DFQSSKMNSA-N 3 2 315.505 3.019 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628210422 401551143 /nfs/dbraw/zinc/55/11/43/401551143.db2.gz WGFAKJSTPAWREG-SFHVURJKSA-N 2 2 313.445 3.293 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628210422 401551144 /nfs/dbraw/zinc/55/11/44/401551144.db2.gz WGFAKJSTPAWREG-SFHVURJKSA-N 2 2 313.445 3.293 10 0 DGAELP c1csc(CC2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000628479175 401604228 /nfs/dbraw/zinc/60/42/28/401604228.db2.gz BSJJDTLZEZYZJC-UHFFFAOYSA-N 2 2 310.426 3.003 10 0 DGAELP COc1ccc2nc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)sc2c1 ZINC000187120336 165076698 /nfs/dbraw/zinc/07/66/98/165076698.db2.gz DVURMJSWPRMEQD-QWHCGFSZSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)sc2c1 ZINC000187120336 165076702 /nfs/dbraw/zinc/07/67/02/165076702.db2.gz DVURMJSWPRMEQD-QWHCGFSZSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120336 165076706 /nfs/dbraw/zinc/07/67/06/165076706.db2.gz DVURMJSWPRMEQD-QWHCGFSZSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120336 165076711 /nfs/dbraw/zinc/07/67/11/165076711.db2.gz DVURMJSWPRMEQD-QWHCGFSZSA-N 2 2 319.474 3.219 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000192756589 165305463 /nfs/dbraw/zinc/30/54/63/165305463.db2.gz KYATWUGCVSIJLH-QRQLOZEOSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000192756589 165305467 /nfs/dbraw/zinc/30/54/67/165305467.db2.gz KYATWUGCVSIJLH-QRQLOZEOSA-N 2 2 302.462 3.056 10 0 DGAELP CC(C)[NH2+]CC[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000193433206 165327259 /nfs/dbraw/zinc/32/72/59/165327259.db2.gz WGHNFFXEVFVLQS-UHFFFAOYSA-N 2 2 301.434 3.204 10 0 DGAELP CC(C)[NH2+]CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000193433206 165327266 /nfs/dbraw/zinc/32/72/66/165327266.db2.gz WGHNFFXEVFVLQS-UHFFFAOYSA-N 2 2 301.434 3.204 10 0 DGAELP c1coc(-c2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)c1 ZINC000171645114 432154426 /nfs/dbraw/zinc/15/44/26/432154426.db2.gz PHMWVGFBLKMDHE-CQSZACIVSA-N 2 2 324.384 3.264 10 0 DGAELP c1coc(-c2cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)no2)c1 ZINC000171645114 432154427 /nfs/dbraw/zinc/15/44/27/432154427.db2.gz PHMWVGFBLKMDHE-CQSZACIVSA-N 2 2 324.384 3.264 10 0 DGAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000182148126 432163612 /nfs/dbraw/zinc/16/36/12/432163612.db2.gz VVXPBPZVXLUPEY-HOTGVXAUSA-N 2 2 321.465 3.060 10 0 DGAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000182148126 432163615 /nfs/dbraw/zinc/16/36/15/432163615.db2.gz VVXPBPZVXLUPEY-HOTGVXAUSA-N 2 2 321.465 3.060 10 0 DGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](C)OC)CC1 ZINC000182411165 432186886 /nfs/dbraw/zinc/18/68/86/432186886.db2.gz CZADSOJQYRZPCZ-CQSZACIVSA-N 2 2 301.434 3.271 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247289809 432218467 /nfs/dbraw/zinc/21/84/67/432218467.db2.gz ZCECIVRBKGFDSU-FXAWDEMLSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247289809 432218470 /nfs/dbraw/zinc/21/84/70/432218470.db2.gz ZCECIVRBKGFDSU-FXAWDEMLSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247289809 432218473 /nfs/dbraw/zinc/21/84/73/432218473.db2.gz ZCECIVRBKGFDSU-FXAWDEMLSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247289809 432218475 /nfs/dbraw/zinc/21/84/75/432218475.db2.gz ZCECIVRBKGFDSU-FXAWDEMLSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247289820 432219158 /nfs/dbraw/zinc/21/91/58/432219158.db2.gz ZCECIVRBKGFDSU-PXNSSMCTSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247289820 432219161 /nfs/dbraw/zinc/21/91/61/432219161.db2.gz ZCECIVRBKGFDSU-PXNSSMCTSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247289820 432219164 /nfs/dbraw/zinc/21/91/64/432219164.db2.gz ZCECIVRBKGFDSU-PXNSSMCTSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247289820 432219166 /nfs/dbraw/zinc/21/91/66/432219166.db2.gz ZCECIVRBKGFDSU-PXNSSMCTSA-N 2 2 324.472 3.097 10 0 DGAELP c1cn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000131949376 196212998 /nfs/dbraw/zinc/21/29/98/196212998.db2.gz CGGUFTBMBNGWCF-QGZVFWFLSA-N 2 2 321.428 3.153 10 0 DGAELP c1cn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000131949376 196213000 /nfs/dbraw/zinc/21/30/00/196213000.db2.gz CGGUFTBMBNGWCF-QGZVFWFLSA-N 2 2 321.428 3.153 10 0 DGAELP CCc1noc(C)c1C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744747 229383597 /nfs/dbraw/zinc/38/35/97/229383597.db2.gz PPTKHLCNEJXBFL-CQSZACIVSA-N 2 2 314.433 3.068 10 0 DGAELP CCc1noc(C)c1C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744747 229383601 /nfs/dbraw/zinc/38/36/01/229383601.db2.gz PPTKHLCNEJXBFL-CQSZACIVSA-N 2 2 314.433 3.068 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423820 432228684 /nfs/dbraw/zinc/22/86/84/432228684.db2.gz ZGIQCOKLGJOKBP-UKRRQHHQSA-N 2 2 301.459 3.212 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423820 432228688 /nfs/dbraw/zinc/22/86/88/432228688.db2.gz ZGIQCOKLGJOKBP-UKRRQHHQSA-N 2 2 301.459 3.212 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423820 432228690 /nfs/dbraw/zinc/22/86/90/432228690.db2.gz ZGIQCOKLGJOKBP-UKRRQHHQSA-N 2 2 301.459 3.212 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423820 432228693 /nfs/dbraw/zinc/22/86/93/432228693.db2.gz ZGIQCOKLGJOKBP-UKRRQHHQSA-N 2 2 301.459 3.212 10 0 DGAELP c1cn(CCCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)c[nH+]1 ZINC000347620040 264253081 /nfs/dbraw/zinc/25/30/81/264253081.db2.gz XSAIGVSCUZWBJB-SFHVURJKSA-N 2 2 305.466 3.335 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000151479777 432250336 /nfs/dbraw/zinc/25/03/36/432250336.db2.gz QJUIIAGARKYSDW-IBGZPJMESA-N 2 2 318.424 3.378 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000151479840 432250520 /nfs/dbraw/zinc/25/05/20/432250520.db2.gz QJUIIAGARKYSDW-LJQANCHMSA-N 2 2 318.424 3.378 10 0 DGAELP c1[nH]nc2c1[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)CCC2 ZINC000367625867 271054623 /nfs/dbraw/zinc/05/46/23/271054623.db2.gz ZJAYCLVLAOIWMY-MJGOQNOKSA-N 2 2 310.445 3.214 10 0 DGAELP c1[nH+]cn2c1c(NC1CC[NH+](CC3CC3)CC1)nc1ccccc12 ZINC000623875292 429929093 /nfs/dbraw/zinc/92/90/93/429929093.db2.gz CHNXABPULHTACC-UHFFFAOYSA-N 2 2 321.428 3.169 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118842517 278039956 /nfs/dbraw/zinc/03/99/56/278039956.db2.gz LNRXYCBRZOKOCB-INIZCTEOSA-N 2 2 317.477 3.022 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118842517 278039958 /nfs/dbraw/zinc/03/99/58/278039958.db2.gz LNRXYCBRZOKOCB-INIZCTEOSA-N 2 2 317.477 3.022 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118842517 278039961 /nfs/dbraw/zinc/03/99/61/278039961.db2.gz LNRXYCBRZOKOCB-INIZCTEOSA-N 2 2 317.477 3.022 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118842517 278039964 /nfs/dbraw/zinc/03/99/64/278039964.db2.gz LNRXYCBRZOKOCB-INIZCTEOSA-N 2 2 317.477 3.022 10 0 DGAELP Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000068658582 431134870 /nfs/dbraw/zinc/13/48/70/431134870.db2.gz ILEJKEHRPYHCFT-HNNXBMFYSA-N 2 2 323.400 3.155 10 0 DGAELP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858105 431355375 /nfs/dbraw/zinc/35/53/75/431355375.db2.gz VUGXKIYRTGKJGD-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858105 431355383 /nfs/dbraw/zinc/35/53/83/431355383.db2.gz VUGXKIYRTGKJGD-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858105 431355388 /nfs/dbraw/zinc/35/53/88/431355388.db2.gz VUGXKIYRTGKJGD-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858105 431355394 /nfs/dbraw/zinc/35/53/94/431355394.db2.gz VUGXKIYRTGKJGD-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)cc2)c[nH+]1 ZINC000114483863 431389392 /nfs/dbraw/zinc/38/93/92/431389392.db2.gz DAGYBOOZINEDLR-GOSISDBHSA-N 2 2 307.401 3.323 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)cc2)c[nH+]1 ZINC000114483863 431389399 /nfs/dbraw/zinc/38/93/99/431389399.db2.gz DAGYBOOZINEDLR-GOSISDBHSA-N 2 2 307.401 3.323 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123886575 431876646 /nfs/dbraw/zinc/87/66/46/431876646.db2.gz HNGHLCMHPRSBHP-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@H+]1C ZINC000123886575 431876647 /nfs/dbraw/zinc/87/66/47/431876647.db2.gz HNGHLCMHPRSBHP-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123886575 431876648 /nfs/dbraw/zinc/87/66/48/431876648.db2.gz HNGHLCMHPRSBHP-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123886575 431876650 /nfs/dbraw/zinc/87/66/50/431876650.db2.gz HNGHLCMHPRSBHP-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123887011 431877126 /nfs/dbraw/zinc/87/71/26/431877126.db2.gz HNGHLCMHPRSBHP-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@H+]1C ZINC000123887011 431877127 /nfs/dbraw/zinc/87/71/27/431877127.db2.gz HNGHLCMHPRSBHP-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123887011 431877130 /nfs/dbraw/zinc/87/71/30/431877130.db2.gz HNGHLCMHPRSBHP-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123887011 431877132 /nfs/dbraw/zinc/87/71/32/431877132.db2.gz HNGHLCMHPRSBHP-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000248062494 432264926 /nfs/dbraw/zinc/26/49/26/432264926.db2.gz YRMNJRJKRZRSKY-SUNYJGFJSA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000248062494 432264930 /nfs/dbraw/zinc/26/49/30/432264930.db2.gz YRMNJRJKRZRSKY-SUNYJGFJSA-N 2 2 303.450 3.024 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000183635098 432311153 /nfs/dbraw/zinc/31/11/53/432311153.db2.gz QDQYBXFDKQOTHC-UHFFFAOYSA-N 2 2 318.368 3.189 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000183635098 432311157 /nfs/dbraw/zinc/31/11/57/432311157.db2.gz QDQYBXFDKQOTHC-UHFFFAOYSA-N 2 2 318.368 3.189 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000252802408 432388009 /nfs/dbraw/zinc/38/80/09/432388009.db2.gz MNLNWTJOPGDGIO-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000252802408 432388011 /nfs/dbraw/zinc/38/80/11/432388011.db2.gz MNLNWTJOPGDGIO-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)[C@H](C)CO2)c1 ZINC000261753592 432447091 /nfs/dbraw/zinc/44/70/91/432447091.db2.gz CJBJBSZWVLJMOZ-AOIWGVFYSA-N 2 2 302.462 3.065 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)[C@H](C)CO2)c1 ZINC000261753592 432447093 /nfs/dbraw/zinc/44/70/93/432447093.db2.gz CJBJBSZWVLJMOZ-AOIWGVFYSA-N 2 2 302.462 3.065 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832058 432454419 /nfs/dbraw/zinc/45/44/19/432454419.db2.gz BUHSMVIEOWCLLQ-JSGCOSHPSA-N 2 2 303.381 3.040 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832058 432454426 /nfs/dbraw/zinc/45/44/26/432454426.db2.gz BUHSMVIEOWCLLQ-JSGCOSHPSA-N 2 2 303.381 3.040 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832062 432454895 /nfs/dbraw/zinc/45/48/95/432454895.db2.gz BUHSMVIEOWCLLQ-TZMCWYRMSA-N 2 2 303.381 3.040 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832062 432454899 /nfs/dbraw/zinc/45/48/99/432454899.db2.gz BUHSMVIEOWCLLQ-TZMCWYRMSA-N 2 2 303.381 3.040 10 0 DGAELP Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000192774749 432412451 /nfs/dbraw/zinc/41/24/51/432412451.db2.gz PCTPTMMUTALUSQ-UONOGXRCSA-N 2 2 323.400 3.088 10 0 DGAELP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2F)CC1 ZINC000184660994 432417925 /nfs/dbraw/zinc/41/79/25/432417925.db2.gz FFKBWELKAHOPBX-GFCCVEGCSA-N 2 2 314.832 3.241 10 0 DGAELP c1csc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000262072971 432473372 /nfs/dbraw/zinc/47/33/72/432473372.db2.gz CRVSOGOTWQDERG-AWEZNQCLSA-N 2 2 319.499 3.349 10 0 DGAELP c1csc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000262072971 432473374 /nfs/dbraw/zinc/47/33/74/432473374.db2.gz CRVSOGOTWQDERG-AWEZNQCLSA-N 2 2 319.499 3.349 10 0 DGAELP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc1C ZINC000193854942 432503898 /nfs/dbraw/zinc/50/38/98/432503898.db2.gz SPPZQJGFBIKPRH-QGZVFWFLSA-N 2 2 311.429 3.333 10 0 DGAELP COc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc1C ZINC000193854942 432503903 /nfs/dbraw/zinc/50/39/03/432503903.db2.gz SPPZQJGFBIKPRH-QGZVFWFLSA-N 2 2 311.429 3.333 10 0 DGAELP Cc1cccc(NC[C@H]2CCN(c3cc[nH+]cc3Cl)C2)[nH+]1 ZINC000176894530 432562108 /nfs/dbraw/zinc/56/21/08/432562108.db2.gz OKTGTNIIGKUHQJ-CYBMUJFWSA-N 2 2 302.809 3.377 10 0 DGAELP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185674265 432522921 /nfs/dbraw/zinc/52/29/21/432522921.db2.gz DKASHCIDYHHQOB-KUHUBIRLSA-N 2 2 308.429 3.344 10 0 DGAELP Cc1cc(N2CCC(Nc3cc[nH+]cc3Cl)CC2)nc(C)[nH+]1 ZINC000176951817 432568735 /nfs/dbraw/zinc/56/87/35/432568735.db2.gz PPHHIYQWQMTSIE-UHFFFAOYSA-N 2 2 317.824 3.223 10 0 DGAELP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CCSCC1 ZINC000187037801 432643147 /nfs/dbraw/zinc/64/31/47/432643147.db2.gz LVBQCGSUPYURFC-YJBOKZPZSA-N 2 2 306.519 3.281 10 0 DGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159020429 432666291 /nfs/dbraw/zinc/66/62/91/432666291.db2.gz ORFZCDFTZCWKHK-RDBSUJKOSA-N 2 2 317.437 3.208 10 0 DGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159020429 432666298 /nfs/dbraw/zinc/66/62/98/432666298.db2.gz ORFZCDFTZCWKHK-RDBSUJKOSA-N 2 2 317.437 3.208 10 0 DGAELP c1sc(C2CC2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000161619832 432789730 /nfs/dbraw/zinc/78/97/30/432789730.db2.gz ZABGVUJEZPOQPT-UHFFFAOYSA-N 2 2 305.491 3.328 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000163428743 432852392 /nfs/dbraw/zinc/85/23/92/432852392.db2.gz DNTJOHJTFYUCKF-NVXWUHKLSA-N 2 2 308.853 3.028 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000163428743 432852395 /nfs/dbraw/zinc/85/23/95/432852395.db2.gz DNTJOHJTFYUCKF-NVXWUHKLSA-N 2 2 308.853 3.028 10 0 DGAELP c1sc(C2CC2)nc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000163460570 432853195 /nfs/dbraw/zinc/85/31/95/432853195.db2.gz QFMAYUBADWTZTJ-ZDUSSCGKSA-N 2 2 314.458 3.350 10 0 DGAELP c1sc(C2CC2)nc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000163460570 432853199 /nfs/dbraw/zinc/85/31/99/432853199.db2.gz QFMAYUBADWTZTJ-ZDUSSCGKSA-N 2 2 314.458 3.350 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245693629 432856901 /nfs/dbraw/zinc/85/69/01/432856901.db2.gz UZVVVHRNRHBSRD-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245693629 432856903 /nfs/dbraw/zinc/85/69/03/432856903.db2.gz UZVVVHRNRHBSRD-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245693629 432856905 /nfs/dbraw/zinc/85/69/05/432856905.db2.gz UZVVVHRNRHBSRD-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245693629 432856907 /nfs/dbraw/zinc/85/69/07/432856907.db2.gz UZVVVHRNRHBSRD-KBPBESRZSA-N 2 2 323.868 3.001 10 0 DGAELP CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336713851 433186936 /nfs/dbraw/zinc/18/69/36/433186936.db2.gz NURPQLNRIBTTMR-VQIMIIECSA-N 2 2 312.461 3.046 10 0 DGAELP CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336713851 433186947 /nfs/dbraw/zinc/18/69/47/433186947.db2.gz NURPQLNRIBTTMR-VQIMIIECSA-N 2 2 312.461 3.046 10 0 DGAELP c1cn2c(cccc2C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)[nH+]1 ZINC000374498377 433204767 /nfs/dbraw/zinc/20/47/67/433204767.db2.gz VCLVZARTTLWZQA-APWZRJJASA-N 2 2 307.397 3.202 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021337 433348210 /nfs/dbraw/zinc/34/82/10/433348210.db2.gz ICPJQGKOTVEFLS-YJBOKZPZSA-N 2 2 304.478 3.336 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021337 433348216 /nfs/dbraw/zinc/34/82/16/433348216.db2.gz ICPJQGKOTVEFLS-YJBOKZPZSA-N 2 2 304.478 3.336 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261559211 290245091 /nfs/dbraw/zinc/24/50/91/290245091.db2.gz DPLSNDVQXPFKMT-XBFCOCLRSA-N 2 2 309.251 3.051 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261559211 290245093 /nfs/dbraw/zinc/24/50/93/290245093.db2.gz DPLSNDVQXPFKMT-XBFCOCLRSA-N 2 2 309.251 3.051 10 0 DGAELP CCC[N@@H+]1CCCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000301667391 433664794 /nfs/dbraw/zinc/66/47/94/433664794.db2.gz MGEFFFHZQLXLAB-UHFFFAOYSA-N 2 2 313.445 3.474 10 0 DGAELP CCC[N@H+]1CCCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000301667391 433664800 /nfs/dbraw/zinc/66/48/00/433664800.db2.gz MGEFFFHZQLXLAB-UHFFFAOYSA-N 2 2 313.445 3.474 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000370080447 293154513 /nfs/dbraw/zinc/15/45/13/293154513.db2.gz IKMBQAGDPUQZDJ-OWYHZJEWSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000370080447 293154515 /nfs/dbraw/zinc/15/45/15/293154515.db2.gz IKMBQAGDPUQZDJ-OWYHZJEWSA-N 2 2 306.494 3.188 10 0 DGAELP Cc1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302067073 433810371 /nfs/dbraw/zinc/81/03/71/433810371.db2.gz WMXHEQSUIYGSPC-MRXNPFEDSA-N 2 2 314.477 3.119 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC000377798364 433997749 /nfs/dbraw/zinc/99/77/49/433997749.db2.gz HOADOSIIUVVINM-KXBFYZLASA-N 2 2 304.397 3.041 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798364 433997757 /nfs/dbraw/zinc/99/77/57/433997757.db2.gz HOADOSIIUVVINM-KXBFYZLASA-N 2 2 304.397 3.041 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3ccc(Br)cc32)c1 ZINC000313260690 434126694 /nfs/dbraw/zinc/12/66/94/434126694.db2.gz HRYGEFZJXFSLQS-HNNXBMFYSA-N 2 2 320.234 3.002 10 0 DGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000313310853 434126836 /nfs/dbraw/zinc/12/68/36/434126836.db2.gz XCTKBBRCTNJXEQ-NSHDSACASA-N 2 2 308.223 3.076 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)CC1CCCC1 ZINC000511033865 294399607 /nfs/dbraw/zinc/39/96/07/294399607.db2.gz BGIIJLNFLCIPQF-NSISKUIASA-N 2 2 316.489 3.038 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CO)CC1CCCC1 ZINC000511033865 294399609 /nfs/dbraw/zinc/39/96/09/294399609.db2.gz BGIIJLNFLCIPQF-NSISKUIASA-N 2 2 316.489 3.038 10 0 DGAELP c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000346208804 434203409 /nfs/dbraw/zinc/20/34/09/434203409.db2.gz NCULYCXYXPNSPR-HNNXBMFYSA-N 2 2 313.430 3.384 10 0 DGAELP c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000346208804 434203416 /nfs/dbraw/zinc/20/34/16/434203416.db2.gz NCULYCXYXPNSPR-HNNXBMFYSA-N 2 2 313.430 3.384 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000295137491 434225964 /nfs/dbraw/zinc/22/59/64/434225964.db2.gz ZIDYCHNNZCRTGH-MJGOQNOKSA-N 2 2 309.457 3.185 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295137491 434225969 /nfs/dbraw/zinc/22/59/69/434225969.db2.gz ZIDYCHNNZCRTGH-MJGOQNOKSA-N 2 2 309.457 3.185 10 0 DGAELP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC4CCC3CC4)CC2)nc1 ZINC000516467457 294608700 /nfs/dbraw/zinc/60/87/00/294608700.db2.gz NGYOKXFYXWPSGT-DAWZGUTISA-N 2 2 313.489 3.462 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397873144 434444343 /nfs/dbraw/zinc/44/43/43/434444343.db2.gz IYQXKUNCLCSEHG-ZWKOTPCHSA-N 2 2 304.503 3.384 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000397873144 434444352 /nfs/dbraw/zinc/44/43/52/434444352.db2.gz IYQXKUNCLCSEHG-ZWKOTPCHSA-N 2 2 304.503 3.384 10 0 DGAELP Cc1nccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446871 434420730 /nfs/dbraw/zinc/42/07/30/434420730.db2.gz BKHROXIFMOVMTD-JXFKEZNVSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446871 434420742 /nfs/dbraw/zinc/42/07/42/434420742.db2.gz BKHROXIFMOVMTD-JXFKEZNVSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446871 434420754 /nfs/dbraw/zinc/42/07/54/434420754.db2.gz BKHROXIFMOVMTD-JXFKEZNVSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446871 434420762 /nfs/dbraw/zinc/42/07/62/434420762.db2.gz BKHROXIFMOVMTD-JXFKEZNVSA-N 2 2 324.472 3.270 10 0 DGAELP COC[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000397972187 434450766 /nfs/dbraw/zinc/45/07/66/434450766.db2.gz BVZHTTGDEGJTAA-OALUTQOASA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000397972187 434450772 /nfs/dbraw/zinc/45/07/72/434450772.db2.gz BVZHTTGDEGJTAA-OALUTQOASA-N 2 2 304.478 3.302 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H]2CCCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016089 434450917 /nfs/dbraw/zinc/45/09/17/434450917.db2.gz QINFTNYRDVVOKH-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H]2CCCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016089 434450924 /nfs/dbraw/zinc/45/09/24/434450924.db2.gz QINFTNYRDVVOKH-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000398151890 434454451 /nfs/dbraw/zinc/45/44/51/434454451.db2.gz YWAUKVIOGWUGDC-ACBHZAAOSA-N 3 2 303.494 3.003 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000398151890 434454463 /nfs/dbraw/zinc/45/44/63/434454463.db2.gz YWAUKVIOGWUGDC-ACBHZAAOSA-N 3 2 303.494 3.003 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004249 295164852 /nfs/dbraw/zinc/16/48/52/295164852.db2.gz WHLAMUBYSXMRLR-GOEBONIOSA-N 2 2 309.457 3.242 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004249 295164853 /nfs/dbraw/zinc/16/48/53/295164853.db2.gz WHLAMUBYSXMRLR-GOEBONIOSA-N 2 2 309.457 3.242 10 0 DGAELP c1cn2c(cccc2C[NH2+]CCc2ccc3ccccc3n2)[nH+]1 ZINC000354280692 434702517 /nfs/dbraw/zinc/70/25/17/434702517.db2.gz GXVFCTLEHVECEQ-UHFFFAOYSA-N 2 2 302.381 3.215 10 0 DGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000517104410 435574850 /nfs/dbraw/zinc/57/48/50/435574850.db2.gz JYMAIXHXIZLQEM-QYZOEREBSA-N 2 2 302.462 3.466 10 0 DGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000517104408 435575624 /nfs/dbraw/zinc/57/56/24/435575624.db2.gz JYMAIXHXIZLQEM-QRVBRYPASA-N 2 2 302.462 3.466 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)CCO1 ZINC000548348925 435684429 /nfs/dbraw/zinc/68/44/29/435684429.db2.gz HQFKMVYRBSYRHS-OMNOIGINSA-N 2 2 315.392 3.082 10 0 DGAELP Clc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCC1 ZINC000572134734 435785318 /nfs/dbraw/zinc/78/53/18/435785318.db2.gz IJOCTIVXXZQFKN-UHFFFAOYSA-N 2 2 317.658 3.288 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218280 313341591 /nfs/dbraw/zinc/34/15/91/313341591.db2.gz INKKFMDKJQQLLJ-MJGOQNOKSA-N 2 2 312.457 3.263 10 0 DGAELP CCC[C@@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000546961741 314338146 /nfs/dbraw/zinc/33/81/46/314338146.db2.gz FQVVFLHOVPDCGK-IBGZPJMESA-N 2 2 324.472 3.491 10 0 DGAELP c1ccc(OCCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562836894 315056349 /nfs/dbraw/zinc/05/63/49/315056349.db2.gz BODIDVWJEKDGIF-RBUKOAKNSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562836894 315056351 /nfs/dbraw/zinc/05/63/51/315056351.db2.gz BODIDVWJEKDGIF-RBUKOAKNSA-N 2 2 302.462 3.452 10 0 DGAELP CCCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456445 521382163 /nfs/dbraw/zinc/38/21/63/521382163.db2.gz SPPMOENDOPSOBM-MRXNPFEDSA-N 2 2 314.408 3.399 10 0 DGAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625191 534815230 /nfs/dbraw/zinc/81/52/30/534815230.db2.gz CXSSUXRKVWIVML-RDTXWAMCSA-N 2 2 311.385 3.176 10 0 DGAELP Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456213 525273521 /nfs/dbraw/zinc/27/35/21/525273521.db2.gz YZVPQFRQYIKYJO-CYBMUJFWSA-N 2 2 300.381 3.003 10 0 DGAELP Brc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058273 526639356 /nfs/dbraw/zinc/63/93/56/526639356.db2.gz VHZIDBGEHUOBJZ-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058273 526639364 /nfs/dbraw/zinc/63/93/64/526639364.db2.gz VHZIDBGEHUOBJZ-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000156424363 526871517 /nfs/dbraw/zinc/87/15/17/526871517.db2.gz LOJPMIGWQZMMMV-KBXCAEBGSA-N 2 2 321.428 3.218 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000156424363 526871523 /nfs/dbraw/zinc/87/15/23/526871523.db2.gz LOJPMIGWQZMMMV-KBXCAEBGSA-N 2 2 321.428 3.218 10 0 DGAELP CCC[N@@H+]1CCCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302663813 528219082 /nfs/dbraw/zinc/21/90/82/528219082.db2.gz POLYYECWUUSEJE-UHFFFAOYSA-N 2 2 313.445 3.474 10 0 DGAELP CCC[N@H+]1CCCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302663813 528219089 /nfs/dbraw/zinc/21/90/89/528219089.db2.gz POLYYECWUUSEJE-UHFFFAOYSA-N 2 2 313.445 3.474 10 0 DGAELP CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112081077 545873121 /nfs/dbraw/zinc/87/31/21/545873121.db2.gz ZNVJWPYMVYJFSB-MRXNPFEDSA-N 2 2 311.433 3.133 10 0 DGAELP CC[N@H+]1CCCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112081077 545873123 /nfs/dbraw/zinc/87/31/23/545873123.db2.gz ZNVJWPYMVYJFSB-MRXNPFEDSA-N 2 2 311.433 3.133 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321966151 546472568 /nfs/dbraw/zinc/47/25/68/546472568.db2.gz JPOSFULDIXWAED-AEFFLSMTSA-N 2 2 311.429 3.306 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321966151 546472573 /nfs/dbraw/zinc/47/25/73/546472573.db2.gz JPOSFULDIXWAED-AEFFLSMTSA-N 2 2 311.429 3.306 10 0 DGAELP C[C@@H]([NH2+]CCCCCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914188 661996913 /nfs/dbraw/zinc/99/69/13/661996913.db2.gz KRGCZFOFQROGOS-MRXNPFEDSA-N 2 2 301.434 3.466 10 0 DGAELP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250584213 546329014 /nfs/dbraw/zinc/32/90/14/546329014.db2.gz GLFDLUHVYCMSFD-HIFRSBDPSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000250584213 546329017 /nfs/dbraw/zinc/32/90/17/546329017.db2.gz GLFDLUHVYCMSFD-HIFRSBDPSA-N 2 2 309.251 3.120 10 0 DGAELP C[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129439820 432005387 /nfs/dbraw/zinc/00/53/87/432005387.db2.gz CEXBAKHZQOJJEQ-WFASDCNBSA-N 2 2 314.364 3.247 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129439820 432005389 /nfs/dbraw/zinc/00/53/89/432005389.db2.gz CEXBAKHZQOJJEQ-WFASDCNBSA-N 2 2 314.364 3.247 10 0 DGAELP CCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812387 185343571 /nfs/dbraw/zinc/34/35/71/185343571.db2.gz LHSCIYAMPNERRE-QGZVFWFLSA-N 2 2 311.429 3.414 10 0 DGAELP CCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812387 185343572 /nfs/dbraw/zinc/34/35/72/185343572.db2.gz LHSCIYAMPNERRE-QGZVFWFLSA-N 2 2 311.429 3.414 10 0 DGAELP Fc1cc(F)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000092812907 185343593 /nfs/dbraw/zinc/34/35/93/185343593.db2.gz KBIZRGNPBJDFDV-LBPRGKRZSA-N 2 2 321.346 3.433 10 0 DGAELP Fc1cc(F)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000092812907 185343594 /nfs/dbraw/zinc/34/35/94/185343594.db2.gz KBIZRGNPBJDFDV-LBPRGKRZSA-N 2 2 321.346 3.433 10 0 DGAELP CSCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000133717061 186009574 /nfs/dbraw/zinc/00/95/74/186009574.db2.gz GSQRPLCSKRMXHD-RDJZCZTQSA-N 2 2 307.507 3.025 10 0 DGAELP CSCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000133717061 186009576 /nfs/dbraw/zinc/00/95/76/186009576.db2.gz GSQRPLCSKRMXHD-RDJZCZTQSA-N 2 2 307.507 3.025 10 0 DGAELP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000182059794 199381286 /nfs/dbraw/zinc/38/12/86/199381286.db2.gz IQJYXQYKZRDQFB-RDTXWAMCSA-N 2 2 305.466 3.272 10 0 DGAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(N2CCC(C[NH3+])CC2)c1C ZINC000073684523 191342030 /nfs/dbraw/zinc/34/20/30/191342030.db2.gz VNWWHUHMGPRLSZ-UHFFFAOYSA-N 2 2 324.472 3.498 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(COC)c2)C1 ZINC000179214296 432051020 /nfs/dbraw/zinc/05/10/20/432051020.db2.gz CAPZSRCGVGJQCM-SFHVURJKSA-N 2 2 313.445 3.429 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000179214296 432051022 /nfs/dbraw/zinc/05/10/22/432051022.db2.gz CAPZSRCGVGJQCM-SFHVURJKSA-N 2 2 313.445 3.429 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(Br)c2)CC1 ZINC000546568062 314311761 /nfs/dbraw/zinc/31/17/61/314311761.db2.gz XEXYTYNASXBBBN-UHFFFAOYSA-N 2 2 309.251 3.191 10 0 DGAELP C[C@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133391068 432062809 /nfs/dbraw/zinc/06/28/09/432062809.db2.gz BROHPXFTOSNTND-ROUUACIJSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133391068 432062811 /nfs/dbraw/zinc/06/28/11/432062811.db2.gz BROHPXFTOSNTND-ROUUACIJSA-N 2 2 318.509 3.106 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000180126423 199120554 /nfs/dbraw/zinc/12/05/54/199120554.db2.gz QSXKEVZPXJQRAX-GOSISDBHSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c[nH]c(-c2ccccc2)n1 ZINC000180126423 199120556 /nfs/dbraw/zinc/12/05/56/199120556.db2.gz QSXKEVZPXJQRAX-GOSISDBHSA-N 2 2 321.428 3.246 10 0 DGAELP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180666992 199193374 /nfs/dbraw/zinc/19/33/74/199193374.db2.gz UQHGTDSNRPDFIX-HKUYNNGSSA-N 2 2 321.424 3.422 10 0 DGAELP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180666992 199193376 /nfs/dbraw/zinc/19/33/76/199193376.db2.gz UQHGTDSNRPDFIX-HKUYNNGSSA-N 2 2 321.424 3.422 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000188091723 200191924 /nfs/dbraw/zinc/19/19/24/200191924.db2.gz FHRCAWHCROMCAG-HIFRSBDPSA-N 2 2 307.401 3.383 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCC3CCOCC3)C2)n2c1CCCC2 ZINC000433206378 238150895 /nfs/dbraw/zinc/15/08/95/238150895.db2.gz HMGZLPPBCLVMHT-QGZVFWFLSA-N 2 2 317.477 3.216 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCC3CCOCC3)C2)n2c1CCCC2 ZINC000433206378 238150896 /nfs/dbraw/zinc/15/08/96/238150896.db2.gz HMGZLPPBCLVMHT-QGZVFWFLSA-N 2 2 317.477 3.216 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000135123443 432099673 /nfs/dbraw/zinc/09/96/73/432099673.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000135123443 432099677 /nfs/dbraw/zinc/09/96/77/432099677.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000135123443 432099679 /nfs/dbraw/zinc/09/96/79/432099679.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000135123443 432099683 /nfs/dbraw/zinc/09/96/83/432099683.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 2 2 318.461 3.166 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccnc3Cl)C2)[nH+]1 ZINC000171081758 432101265 /nfs/dbraw/zinc/10/12/65/432101265.db2.gz GOGNXADITZDKLH-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccnc3Cl)C2)[nH+]1 ZINC000171081758 432101273 /nfs/dbraw/zinc/10/12/73/432101273.db2.gz GOGNXADITZDKLH-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP COc1cccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000189890534 432101376 /nfs/dbraw/zinc/10/13/76/432101376.db2.gz HRLHMJQBPWVXTP-AWEZNQCLSA-N 2 2 308.385 3.127 10 0 DGAELP C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900838 432102018 /nfs/dbraw/zinc/10/20/18/432102018.db2.gz IDEYJIBZURGBOJ-OXQOHEQNSA-N 2 2 321.424 3.431 10 0 DGAELP c1c2cccnc2oc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000449068995 240000506 /nfs/dbraw/zinc/00/05/06/240000506.db2.gz DKEJQVUSTAKVID-UHFFFAOYSA-N 2 2 321.424 3.366 10 0 DGAELP c1c2cccnc2oc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000449068995 240000511 /nfs/dbraw/zinc/00/05/11/240000511.db2.gz DKEJQVUSTAKVID-UHFFFAOYSA-N 2 2 321.424 3.366 10 0 DGAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nccs2)CC1 ZINC000449084558 240009290 /nfs/dbraw/zinc/00/92/90/240009290.db2.gz IANCNPQYDKEKOO-HNNXBMFYSA-N 2 2 315.486 3.328 10 0 DGAELP Cc1cccc(CCC[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000181005851 432109192 /nfs/dbraw/zinc/10/91/92/432109192.db2.gz UKPQCXGKFGYQOC-SFHVURJKSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1cccc(CCC[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000181005851 432109197 /nfs/dbraw/zinc/10/91/97/432109197.db2.gz UKPQCXGKFGYQOC-SFHVURJKSA-N 2 2 316.489 3.113 10 0 DGAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000094015399 284015416 /nfs/dbraw/zinc/01/54/16/284015416.db2.gz XTPJQLABJSNBTD-OTBWCIGPSA-N 2 2 324.509 3.205 10 0 DGAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000094015399 284015419 /nfs/dbraw/zinc/01/54/19/284015419.db2.gz XTPJQLABJSNBTD-OTBWCIGPSA-N 2 2 324.509 3.205 10 0 DGAELP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644247 193280135 /nfs/dbraw/zinc/28/01/35/193280135.db2.gz LAFXZJDQGRBXJA-GDBMZVCRSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644247 193280139 /nfs/dbraw/zinc/28/01/39/193280139.db2.gz LAFXZJDQGRBXJA-GDBMZVCRSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644247 193280142 /nfs/dbraw/zinc/28/01/42/193280142.db2.gz LAFXZJDQGRBXJA-GDBMZVCRSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000093644247 193280143 /nfs/dbraw/zinc/28/01/43/193280143.db2.gz LAFXZJDQGRBXJA-GDBMZVCRSA-N 2 2 306.450 3.008 10 0 DGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000093693383 193290918 /nfs/dbraw/zinc/29/09/18/193290918.db2.gz LHQLRGGKNVLCDL-VMSUTVGLSA-N 2 2 302.462 3.372 10 0 DGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000093693383 193290920 /nfs/dbraw/zinc/29/09/20/193290920.db2.gz LHQLRGGKNVLCDL-VMSUTVGLSA-N 2 2 302.462 3.372 10 0 DGAELP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000093683911 193288211 /nfs/dbraw/zinc/28/82/11/193288211.db2.gz WIGLJVSRRHFBHW-KRWDZBQOSA-N 2 2 324.472 3.385 10 0 DGAELP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000093683911 193288213 /nfs/dbraw/zinc/28/82/13/193288213.db2.gz WIGLJVSRRHFBHW-KRWDZBQOSA-N 2 2 324.472 3.385 10 0 DGAELP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2)n1 ZINC000127879217 284356064 /nfs/dbraw/zinc/35/60/64/284356064.db2.gz YNCLADVOCNHSGN-UHFFFAOYSA-N 2 2 312.461 3.015 10 0 DGAELP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153166398 284659972 /nfs/dbraw/zinc/65/99/72/284659972.db2.gz MWDLPEFCCKIIPB-HOCLYGCPSA-N 2 2 316.445 3.360 10 0 DGAELP CCc1nc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cs1 ZINC000105897382 194162515 /nfs/dbraw/zinc/16/25/15/194162515.db2.gz UDBHQJDQFSCINJ-AWEZNQCLSA-N 2 2 304.463 3.302 10 0 DGAELP CCc1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)cs1 ZINC000105897382 194162517 /nfs/dbraw/zinc/16/25/17/194162517.db2.gz UDBHQJDQFSCINJ-AWEZNQCLSA-N 2 2 304.463 3.302 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248651859 285014594 /nfs/dbraw/zinc/01/45/94/285014594.db2.gz NGVOBISLXHQZDT-HZPDHXFCSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248651859 285014597 /nfs/dbraw/zinc/01/45/97/285014597.db2.gz NGVOBISLXHQZDT-HZPDHXFCSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000248651859 285014599 /nfs/dbraw/zinc/01/45/99/285014599.db2.gz NGVOBISLXHQZDT-HZPDHXFCSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000248651859 285014602 /nfs/dbraw/zinc/01/46/02/285014602.db2.gz NGVOBISLXHQZDT-HZPDHXFCSA-N 2 2 305.491 3.314 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163414894 285038468 /nfs/dbraw/zinc/03/84/68/285038468.db2.gz LGPFGDYMSYNWOA-ZFWWWQNUSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163414894 285038470 /nfs/dbraw/zinc/03/84/70/285038470.db2.gz LGPFGDYMSYNWOA-ZFWWWQNUSA-N 2 2 319.474 3.058 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000249192193 285062812 /nfs/dbraw/zinc/06/28/12/285062812.db2.gz AMRLKGZXGSMJGW-KBAYOESNSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000249192193 285062816 /nfs/dbraw/zinc/06/28/16/285062816.db2.gz AMRLKGZXGSMJGW-KBAYOESNSA-N 2 2 302.462 3.054 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000120611444 195201282 /nfs/dbraw/zinc/20/12/82/195201282.db2.gz YAMKNEMIMXUHQL-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000120611444 195201284 /nfs/dbraw/zinc/20/12/84/195201284.db2.gz YAMKNEMIMXUHQL-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340355095 292077803 /nfs/dbraw/zinc/07/78/03/292077803.db2.gz FHTXFPIMYOJJNV-QFBILLFUSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340355095 292077805 /nfs/dbraw/zinc/07/78/05/292077805.db2.gz FHTXFPIMYOJJNV-QFBILLFUSA-N 2 2 304.478 3.444 10 0 DGAELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)[nH]1 ZINC000092073940 400153650 /nfs/dbraw/zinc/15/36/50/400153650.db2.gz IUHQAIXHPSKSSZ-HNNXBMFYSA-N 2 2 307.401 3.179 10 0 DGAELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)[nH]1 ZINC000092073940 400153655 /nfs/dbraw/zinc/15/36/55/400153655.db2.gz IUHQAIXHPSKSSZ-HNNXBMFYSA-N 2 2 307.401 3.179 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2cccnc21 ZINC000616693329 400207128 /nfs/dbraw/zinc/20/71/28/400207128.db2.gz XEKYGMSYPVSRGI-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc2cccnc21 ZINC000616693329 400207132 /nfs/dbraw/zinc/20/71/32/400207132.db2.gz XEKYGMSYPVSRGI-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP CC(C)[N@H+](C)CCC[NH2+]Cc1ccsc1Br ZINC000389002794 400269466 /nfs/dbraw/zinc/26/94/66/400269466.db2.gz ZULIPEMJADPZHW-UHFFFAOYSA-N 2 2 305.285 3.331 10 0 DGAELP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccsc1Br ZINC000389002794 400269469 /nfs/dbraw/zinc/26/94/69/400269469.db2.gz ZULIPEMJADPZHW-UHFFFAOYSA-N 2 2 305.285 3.331 10 0 DGAELP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082509 400484687 /nfs/dbraw/zinc/48/46/87/400484687.db2.gz HIIILHNRUSCVBM-MRXNPFEDSA-N 2 2 323.400 3.079 10 0 DGAELP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082509 400484693 /nfs/dbraw/zinc/48/46/93/400484693.db2.gz HIIILHNRUSCVBM-MRXNPFEDSA-N 2 2 323.400 3.079 10 0 DGAELP COC[C@H](CC(C)C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357996482 285938640 /nfs/dbraw/zinc/93/86/40/285938640.db2.gz RWCPCYZFMPZDSJ-SFHVURJKSA-N 2 2 301.434 3.082 10 0 DGAELP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)o1 ZINC000603881597 400728707 /nfs/dbraw/zinc/72/87/07/400728707.db2.gz GWNKKLUGQKSMHA-UHFFFAOYSA-N 2 2 312.373 3.021 10 0 DGAELP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603786149 400715363 /nfs/dbraw/zinc/71/53/63/400715363.db2.gz QXCMXRXTJBFKAR-UHFFFAOYSA-N 2 2 322.412 3.428 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631885898 401563849 /nfs/dbraw/zinc/56/38/49/401563849.db2.gz CLCVEJYMMABAMK-CMPLNLGQSA-N 2 2 315.280 3.085 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)s1 ZINC000631885898 401563853 /nfs/dbraw/zinc/56/38/53/401563853.db2.gz CLCVEJYMMABAMK-CMPLNLGQSA-N 2 2 315.280 3.085 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890333 401564763 /nfs/dbraw/zinc/56/47/63/401564763.db2.gz QWTXORMGFICUOI-UKRRQHHQSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631890333 401564765 /nfs/dbraw/zinc/56/47/65/401564765.db2.gz QWTXORMGFICUOI-UKRRQHHQSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890334 401564851 /nfs/dbraw/zinc/56/48/51/401564851.db2.gz QWTXORMGFICUOI-ZFWWWQNUSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890334 401564853 /nfs/dbraw/zinc/56/48/53/401564853.db2.gz QWTXORMGFICUOI-ZFWWWQNUSA-N 2 2 309.251 3.023 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628210421 401551112 /nfs/dbraw/zinc/55/11/12/401551112.db2.gz WGFAKJSTPAWREG-GOSISDBHSA-N 2 2 313.445 3.293 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628210421 401551113 /nfs/dbraw/zinc/55/11/13/401551113.db2.gz WGFAKJSTPAWREG-GOSISDBHSA-N 2 2 313.445 3.293 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702630 292377920 /nfs/dbraw/zinc/37/79/20/292377920.db2.gz ZSGFZNSUZIPNCK-MJGOQNOKSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702630 292377921 /nfs/dbraw/zinc/37/79/21/292377921.db2.gz ZSGFZNSUZIPNCK-MJGOQNOKSA-N 2 2 304.478 3.446 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH+]c2ccccn12 ZINC000364660430 287050038 /nfs/dbraw/zinc/05/00/38/287050038.db2.gz SCEBCDKGVCKDQQ-BPQIPLTHSA-N 2 2 313.445 3.062 10 0 DGAELP COc1ccsc1[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000186108550 165027786 /nfs/dbraw/zinc/02/77/86/165027786.db2.gz IOWZFKXJVRWBMZ-CYBMUJFWSA-N 2 2 317.458 3.471 10 0 DGAELP COc1ccc2nc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)sc2c1 ZINC000187120351 165077387 /nfs/dbraw/zinc/07/73/87/165077387.db2.gz DVURMJSWPRMEQD-OLZOCXBDSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)sc2c1 ZINC000187120351 165077391 /nfs/dbraw/zinc/07/73/91/165077391.db2.gz DVURMJSWPRMEQD-OLZOCXBDSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)sc2c1 ZINC000187120351 165077392 /nfs/dbraw/zinc/07/73/92/165077392.db2.gz DVURMJSWPRMEQD-OLZOCXBDSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)sc2c1 ZINC000187120351 165077395 /nfs/dbraw/zinc/07/73/95/165077395.db2.gz DVURMJSWPRMEQD-OLZOCXBDSA-N 2 2 319.474 3.219 10 0 DGAELP C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078105 165228886 /nfs/dbraw/zinc/22/88/86/165228886.db2.gz STACRJUOXXLBQZ-HNAYVOBHSA-N 2 2 313.445 3.464 10 0 DGAELP C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078295 165228894 /nfs/dbraw/zinc/22/88/94/165228894.db2.gz WRWAOCZZVMFHSV-DNVCBOLYSA-N 2 2 313.445 3.464 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000195516365 165374592 /nfs/dbraw/zinc/37/45/92/165374592.db2.gz GNFCHRJFFYOJIU-MRXNPFEDSA-N 2 2 313.449 3.101 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccs2)C1 ZINC000190461496 432159858 /nfs/dbraw/zinc/15/98/58/432159858.db2.gz LPMRNKZDSHSFOZ-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccs2)C1 ZINC000190461496 432159860 /nfs/dbraw/zinc/15/98/60/432159860.db2.gz LPMRNKZDSHSFOZ-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190461496 432159864 /nfs/dbraw/zinc/15/98/64/432159864.db2.gz LPMRNKZDSHSFOZ-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000190461496 432159867 /nfs/dbraw/zinc/15/98/67/432159867.db2.gz LPMRNKZDSHSFOZ-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742193 432160036 /nfs/dbraw/zinc/16/00/36/432160036.db2.gz MUCZTWCOLSDKMR-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246742193 432160039 /nfs/dbraw/zinc/16/00/39/432160039.db2.gz MUCZTWCOLSDKMR-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742193 432160043 /nfs/dbraw/zinc/16/00/43/432160043.db2.gz MUCZTWCOLSDKMR-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742193 432160045 /nfs/dbraw/zinc/16/00/45/432160045.db2.gz MUCZTWCOLSDKMR-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490736 432163534 /nfs/dbraw/zinc/16/35/34/432163534.db2.gz YVRUNSCTXRFJQX-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490736 432163538 /nfs/dbraw/zinc/16/35/38/432163538.db2.gz YVRUNSCTXRFJQX-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490736 432163540 /nfs/dbraw/zinc/16/35/40/432163540.db2.gz YVRUNSCTXRFJQX-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490736 432163546 /nfs/dbraw/zinc/16/35/46/432163546.db2.gz YVRUNSCTXRFJQX-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC000190483334 432163641 /nfs/dbraw/zinc/16/36/41/432163641.db2.gz WNNHPEXYUSKHQM-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC000190483334 432163645 /nfs/dbraw/zinc/16/36/45/432163645.db2.gz WNNHPEXYUSKHQM-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000190483334 432163651 /nfs/dbraw/zinc/16/36/51/432163651.db2.gz WNNHPEXYUSKHQM-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000190483334 432163652 /nfs/dbraw/zinc/16/36/52/432163652.db2.gz WNNHPEXYUSKHQM-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000182443514 432191125 /nfs/dbraw/zinc/19/11/25/432191125.db2.gz KPTYYCGOVXAHKY-LJQANCHMSA-N 2 2 313.445 3.263 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000182443514 432191127 /nfs/dbraw/zinc/19/11/27/432191127.db2.gz KPTYYCGOVXAHKY-LJQANCHMSA-N 2 2 313.445 3.263 10 0 DGAELP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000131466817 196171215 /nfs/dbraw/zinc/17/12/15/196171215.db2.gz HVPICAIXJYCLQV-WDEREUQCSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000131466817 196171217 /nfs/dbraw/zinc/17/12/17/196171217.db2.gz HVPICAIXJYCLQV-WDEREUQCSA-N 2 2 303.233 3.041 10 0 DGAELP CC(C)c1csc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000131468858 196171243 /nfs/dbraw/zinc/17/12/43/196171243.db2.gz HKMVQTXONLVLDR-AWEZNQCLSA-N 2 2 304.463 3.343 10 0 DGAELP CC(C)c1csc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000131468858 196171245 /nfs/dbraw/zinc/17/12/45/196171245.db2.gz HKMVQTXONLVLDR-AWEZNQCLSA-N 2 2 304.463 3.343 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)s1 ZINC000154538090 227100320 /nfs/dbraw/zinc/10/03/20/227100320.db2.gz ZJUGVBHHVDJJPI-UWVGGRQHSA-N 2 2 303.269 3.255 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)s1 ZINC000154538090 227100323 /nfs/dbraw/zinc/10/03/23/227100323.db2.gz ZJUGVBHHVDJJPI-UWVGGRQHSA-N 2 2 303.269 3.255 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000347486526 264228495 /nfs/dbraw/zinc/22/84/95/264228495.db2.gz PGBCNTQRWBMGGZ-GOSISDBHSA-N 2 2 304.478 3.446 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCCCO1 ZINC000347486526 264228497 /nfs/dbraw/zinc/22/84/97/264228497.db2.gz PGBCNTQRWBMGGZ-GOSISDBHSA-N 2 2 304.478 3.446 10 0 DGAELP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000352830552 265185772 /nfs/dbraw/zinc/18/57/72/265185772.db2.gz BCXGUNIMNMURSO-VOMSXAGXSA-N 2 2 310.388 3.375 10 0 DGAELP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000352830552 265185775 /nfs/dbraw/zinc/18/57/75/265185775.db2.gz BCXGUNIMNMURSO-VOMSXAGXSA-N 2 2 310.388 3.375 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000247574434 432243559 /nfs/dbraw/zinc/24/35/59/432243559.db2.gz LOJPMIGWQZMMMV-KSSFIOAISA-N 2 2 321.428 3.218 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)nc2ccccc12 ZINC000247574434 432243563 /nfs/dbraw/zinc/24/35/63/432243563.db2.gz LOJPMIGWQZMMMV-KSSFIOAISA-N 2 2 321.428 3.218 10 0 DGAELP c1csc(-c2ncc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)s2)c1 ZINC000368687553 271193369 /nfs/dbraw/zinc/19/33/69/271193369.db2.gz LBASQNYOCYWROD-SNVBAGLBSA-N 2 2 316.455 3.242 10 0 DGAELP c1csc(-c2ncc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)s2)c1 ZINC000368687553 271193374 /nfs/dbraw/zinc/19/33/74/271193374.db2.gz LBASQNYOCYWROD-SNVBAGLBSA-N 2 2 316.455 3.242 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCOC3CCCC3)C2)cc1 ZINC000108942792 431160977 /nfs/dbraw/zinc/16/09/77/431160977.db2.gz QGFZITVWHQVZLY-SFHVURJKSA-N 2 2 302.462 3.200 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCOC3CCCC3)C2)cc1 ZINC000108942792 431160984 /nfs/dbraw/zinc/16/09/84/431160984.db2.gz QGFZITVWHQVZLY-SFHVURJKSA-N 2 2 302.462 3.200 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)CC[C@@H]3C)c2cc1C ZINC000076150034 431531712 /nfs/dbraw/zinc/53/17/12/431531712.db2.gz JMWRFYFGEVNUHS-XOKHGSTOSA-N 2 2 315.461 3.134 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)CC[C@@H]3C)c2cc1C ZINC000076150034 431531718 /nfs/dbraw/zinc/53/17/18/431531718.db2.gz JMWRFYFGEVNUHS-XOKHGSTOSA-N 2 2 315.461 3.134 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956043 431849793 /nfs/dbraw/zinc/84/97/93/431849793.db2.gz QYXRYPFSLJJPBZ-MRXNPFEDSA-N 2 2 315.465 3.234 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956043 431849795 /nfs/dbraw/zinc/84/97/95/431849795.db2.gz QYXRYPFSLJJPBZ-MRXNPFEDSA-N 2 2 315.465 3.234 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091318852 431903870 /nfs/dbraw/zinc/90/38/70/431903870.db2.gz UDTKFAJOUZBEBV-RBUKOAKNSA-N 2 2 302.462 3.147 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091318852 431903872 /nfs/dbraw/zinc/90/38/72/431903872.db2.gz UDTKFAJOUZBEBV-RBUKOAKNSA-N 2 2 302.462 3.147 10 0 DGAELP [NH3+]CCNc1c(C(=O)C(F)(F)F)c[nH+]c2cc(Cl)ccc21 ZINC000097757690 431974193 /nfs/dbraw/zinc/97/41/93/431974193.db2.gz GXPMEHOLYQTHIW-UHFFFAOYSA-N 2 2 317.698 3.004 10 0 DGAELP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732399 432272318 /nfs/dbraw/zinc/27/23/18/432272318.db2.gz IYZHLIBTAFTNRF-AWEZNQCLSA-N 2 2 305.397 3.273 10 0 DGAELP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732399 432272322 /nfs/dbraw/zinc/27/23/22/432272322.db2.gz IYZHLIBTAFTNRF-AWEZNQCLSA-N 2 2 305.397 3.273 10 0 DGAELP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732399 432272326 /nfs/dbraw/zinc/27/23/26/432272326.db2.gz IYZHLIBTAFTNRF-AWEZNQCLSA-N 2 2 305.397 3.273 10 0 DGAELP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732399 432272328 /nfs/dbraw/zinc/27/23/28/432272328.db2.gz IYZHLIBTAFTNRF-AWEZNQCLSA-N 2 2 305.397 3.273 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000173699132 432294498 /nfs/dbraw/zinc/29/44/98/432294498.db2.gz WECUVFXHIPILLU-KRWDZBQOSA-N 2 2 312.461 3.349 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000173699132 432294503 /nfs/dbraw/zinc/29/45/03/432294503.db2.gz WECUVFXHIPILLU-KRWDZBQOSA-N 2 2 312.461 3.349 10 0 DGAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000248542417 432298548 /nfs/dbraw/zinc/29/85/48/432298548.db2.gz CMSZYPKFNXXYPA-ROUUACIJSA-N 2 2 304.503 3.382 10 0 DGAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000248542417 432298552 /nfs/dbraw/zinc/29/85/52/432298552.db2.gz CMSZYPKFNXXYPA-ROUUACIJSA-N 2 2 304.503 3.382 10 0 DGAELP CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183158195 432263307 /nfs/dbraw/zinc/26/33/07/432263307.db2.gz LRRGCCKWTLKFTQ-SUMWQHHRSA-N 2 2 315.417 3.173 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)o1 ZINC000191426083 432263460 /nfs/dbraw/zinc/26/34/60/432263460.db2.gz HDIKMISLLIHLIQ-LBPRGKRZSA-N 2 2 324.222 3.212 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Br)o1 ZINC000191426083 432263462 /nfs/dbraw/zinc/26/34/62/432263462.db2.gz HDIKMISLLIHLIQ-LBPRGKRZSA-N 2 2 324.222 3.212 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000191991793 432322294 /nfs/dbraw/zinc/32/22/94/432322294.db2.gz LPXMTOSJOXCHLF-IBGZPJMESA-N 2 2 321.428 3.251 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000191991793 432322298 /nfs/dbraw/zinc/32/22/98/432322298.db2.gz LPXMTOSJOXCHLF-IBGZPJMESA-N 2 2 321.428 3.251 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000249057601 432336720 /nfs/dbraw/zinc/33/67/20/432336720.db2.gz XXDRLPQULXQGNC-FCEWJHQRSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000249057601 432336725 /nfs/dbraw/zinc/33/67/25/432336725.db2.gz XXDRLPQULXQGNC-FCEWJHQRSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192287137 432354165 /nfs/dbraw/zinc/35/41/65/432354165.db2.gz AHXGSSSZGYJOGU-HOTGVXAUSA-N 2 2 313.445 3.442 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000183602514 432308683 /nfs/dbraw/zinc/30/86/83/432308683.db2.gz MLEPLVDIVRPDRR-KOLCDFICSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000183602514 432308686 /nfs/dbraw/zinc/30/86/86/432308686.db2.gz MLEPLVDIVRPDRR-KOLCDFICSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000183602514 432308691 /nfs/dbraw/zinc/30/86/91/432308691.db2.gz MLEPLVDIVRPDRR-KOLCDFICSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000183602514 432308696 /nfs/dbraw/zinc/30/86/96/432308696.db2.gz MLEPLVDIVRPDRR-KOLCDFICSA-N 2 2 321.412 3.385 10 0 DGAELP C[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251890487 432372399 /nfs/dbraw/zinc/37/23/99/432372399.db2.gz VNEMLWUDVSCVQO-GXFFZTMASA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251890487 432372402 /nfs/dbraw/zinc/37/24/02/432372402.db2.gz VNEMLWUDVSCVQO-GXFFZTMASA-N 2 2 303.233 3.041 10 0 DGAELP Cc1ccc(-c2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)on2)cc1 ZINC000261840084 432454573 /nfs/dbraw/zinc/45/45/73/432454573.db2.gz YNYDBSLDHOFAJC-SJPCQFCGSA-N 2 2 311.429 3.365 10 0 DGAELP Cc1ccc(-c2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)on2)cc1 ZINC000261840084 432454575 /nfs/dbraw/zinc/45/45/75/432454575.db2.gz YNYDBSLDHOFAJC-SJPCQFCGSA-N 2 2 311.429 3.365 10 0 DGAELP CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261869948 432456229 /nfs/dbraw/zinc/45/62/29/432456229.db2.gz XFHLHGSLBOOIBB-HNNXBMFYSA-N 2 2 314.433 3.163 10 0 DGAELP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261869948 432456232 /nfs/dbraw/zinc/45/62/32/432456232.db2.gz XFHLHGSLBOOIBB-HNNXBMFYSA-N 2 2 314.433 3.163 10 0 DGAELP C[N@H+](Cc1cc(Br)ccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261899456 432457975 /nfs/dbraw/zinc/45/79/75/432457975.db2.gz VTHMHSRNJQNHQR-CQSZACIVSA-N 2 2 315.230 3.020 10 0 DGAELP C[N@@H+](Cc1cc(Br)ccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261899456 432457978 /nfs/dbraw/zinc/45/79/78/432457978.db2.gz VTHMHSRNJQNHQR-CQSZACIVSA-N 2 2 315.230 3.020 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719903 432458847 /nfs/dbraw/zinc/45/88/47/432458847.db2.gz LXOOWLKYAGFTIV-UKRRQHHQSA-N 2 2 303.406 3.097 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719903 432458850 /nfs/dbraw/zinc/45/88/50/432458850.db2.gz LXOOWLKYAGFTIV-UKRRQHHQSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719903 432458855 /nfs/dbraw/zinc/45/88/55/432458855.db2.gz LXOOWLKYAGFTIV-UKRRQHHQSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719903 432458857 /nfs/dbraw/zinc/45/88/57/432458857.db2.gz LXOOWLKYAGFTIV-UKRRQHHQSA-N 2 2 303.406 3.097 10 0 DGAELP C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC[NH2+]1 ZINC000262374856 432482813 /nfs/dbraw/zinc/48/28/13/432482813.db2.gz KNLBMBBNCGMYND-KBPBESRZSA-N 2 2 311.385 3.201 10 0 DGAELP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000154623108 432511444 /nfs/dbraw/zinc/51/14/44/432511444.db2.gz NIVXKICPAQTGPN-NEPJUHHUSA-N 2 2 312.841 3.102 10 0 DGAELP C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)C[NH+]1CCOCC1 ZINC000177357631 432615895 /nfs/dbraw/zinc/61/58/95/432615895.db2.gz LPQITOQCYGDMPV-SJORKVTESA-N 2 2 312.457 3.459 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000178288107 432716126 /nfs/dbraw/zinc/71/61/26/432716126.db2.gz ASZXDNYKUAEVCR-SFHVURJKSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2n1 ZINC000178288107 432716131 /nfs/dbraw/zinc/71/61/31/432716131.db2.gz ASZXDNYKUAEVCR-SFHVURJKSA-N 2 2 306.413 3.404 10 0 DGAELP COc1cccc(CCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178294449 432717660 /nfs/dbraw/zinc/71/76/60/432717660.db2.gz QKMVWKIINQZAKU-GOSISDBHSA-N 2 2 313.445 3.297 10 0 DGAELP COc1cccc(CCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178294449 432717664 /nfs/dbraw/zinc/71/76/64/432717664.db2.gz QKMVWKIINQZAKU-GOSISDBHSA-N 2 2 313.445 3.297 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429150 432829482 /nfs/dbraw/zinc/82/94/82/432829482.db2.gz MXLVIVNATDGOCG-KBXCAEBGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429150 432829486 /nfs/dbraw/zinc/82/94/86/432829486.db2.gz MXLVIVNATDGOCG-KBXCAEBGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429150 432829488 /nfs/dbraw/zinc/82/94/88/432829488.db2.gz MXLVIVNATDGOCG-KBXCAEBGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429150 432829490 /nfs/dbraw/zinc/82/94/90/432829490.db2.gz MXLVIVNATDGOCG-KBXCAEBGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445329 432831696 /nfs/dbraw/zinc/83/16/96/432831696.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 3 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445329 432831699 /nfs/dbraw/zinc/83/16/99/432831699.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 3 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445329 432831702 /nfs/dbraw/zinc/83/17/02/432831702.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 3 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445329 432831705 /nfs/dbraw/zinc/83/17/05/432831705.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 3 2 312.461 3.034 10 0 DGAELP C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245612030 432849199 /nfs/dbraw/zinc/84/91/99/432849199.db2.gz VYUWFFDQIVCCTG-RHSMWYFYSA-N 2 2 315.392 3.178 10 0 DGAELP C[C@@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245612030 432849200 /nfs/dbraw/zinc/84/92/00/432849200.db2.gz VYUWFFDQIVCCTG-RHSMWYFYSA-N 2 2 315.392 3.178 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CC[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443431 433231837 /nfs/dbraw/zinc/23/18/37/433231837.db2.gz OIUJFHYTLYJHDD-WMZOPIPTSA-N 2 2 317.477 3.358 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CC[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443431 433231846 /nfs/dbraw/zinc/23/18/46/433231846.db2.gz OIUJFHYTLYJHDD-WMZOPIPTSA-N 2 2 317.477 3.358 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300410691 433392976 /nfs/dbraw/zinc/39/29/76/433392976.db2.gz JNYUZBMMZQCBLM-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000300410691 433392986 /nfs/dbraw/zinc/39/29/86/433392986.db2.gz JNYUZBMMZQCBLM-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP Fc1cnccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449023623 433676225 /nfs/dbraw/zinc/67/62/25/433676225.db2.gz SNHXUIASEZVNHL-MRXNPFEDSA-N 2 2 305.441 3.309 10 0 DGAELP Fc1cnccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000449023623 433676232 /nfs/dbraw/zinc/67/62/32/433676232.db2.gz SNHXUIASEZVNHL-MRXNPFEDSA-N 2 2 305.441 3.309 10 0 DGAELP CC(C)c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000301840325 433755186 /nfs/dbraw/zinc/75/51/86/433755186.db2.gz AMIRJYLLARZMCW-OAHLLOKOSA-N 2 2 302.466 3.398 10 0 DGAELP CC(C)c1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000301840325 433755193 /nfs/dbraw/zinc/75/51/93/433755193.db2.gz AMIRJYLLARZMCW-OAHLLOKOSA-N 2 2 302.466 3.398 10 0 DGAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000436278901 433926658 /nfs/dbraw/zinc/92/66/58/433926658.db2.gz GTCIULZDAZYPKO-PIKOESSRSA-N 2 2 316.489 3.412 10 0 DGAELP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000436278901 433926665 /nfs/dbraw/zinc/92/66/65/433926665.db2.gz GTCIULZDAZYPKO-PIKOESSRSA-N 2 2 316.489 3.412 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@H]1CCC[NH2+]C1)CCCC2 ZINC000423192892 434276157 /nfs/dbraw/zinc/27/61/57/434276157.db2.gz QCJCKZDDZJAQND-FUHWJXTLSA-N 2 2 300.446 3.121 10 0 DGAELP CC(C)n1cncc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379634484 434257661 /nfs/dbraw/zinc/25/76/61/434257661.db2.gz PROWESIAKVIMKF-QGZVFWFLSA-N 2 2 314.477 3.464 10 0 DGAELP CC(C)n1cncc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379634484 434257667 /nfs/dbraw/zinc/25/76/67/434257667.db2.gz PROWESIAKVIMKF-QGZVFWFLSA-N 2 2 314.477 3.464 10 0 DGAELP CC(C)n1cncc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379634483 434260108 /nfs/dbraw/zinc/26/01/08/434260108.db2.gz PROWESIAKVIMKF-KRWDZBQOSA-N 2 2 314.477 3.464 10 0 DGAELP CC(C)n1cncc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379634483 434260115 /nfs/dbraw/zinc/26/01/15/434260115.db2.gz PROWESIAKVIMKF-KRWDZBQOSA-N 2 2 314.477 3.464 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000379633259 434260876 /nfs/dbraw/zinc/26/08/76/434260876.db2.gz TYYOTWRWKZFYAQ-IBGZPJMESA-N 2 2 318.505 3.428 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000379633259 434260886 /nfs/dbraw/zinc/26/08/86/434260886.db2.gz TYYOTWRWKZFYAQ-IBGZPJMESA-N 2 2 318.505 3.428 10 0 DGAELP COc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1SC ZINC000358174170 434364696 /nfs/dbraw/zinc/36/46/96/434364696.db2.gz XOCYEUIZPJUSPG-UHFFFAOYSA-N 2 2 306.475 3.159 10 0 DGAELP COc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1SC ZINC000358174170 434364709 /nfs/dbraw/zinc/36/47/09/434364709.db2.gz XOCYEUIZPJUSPG-UHFFFAOYSA-N 2 2 306.475 3.159 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000389177464 434347205 /nfs/dbraw/zinc/34/72/05/434347205.db2.gz PJNVHHGITFHXNN-OGVSOVDVSA-N 2 2 323.278 3.379 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000389177464 434347214 /nfs/dbraw/zinc/34/72/14/434347214.db2.gz PJNVHHGITFHXNN-OGVSOVDVSA-N 2 2 323.278 3.379 10 0 DGAELP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CO1 ZINC000397951846 434445029 /nfs/dbraw/zinc/44/50/29/434445029.db2.gz PQHJMUBEPODQEK-PKOBYXMFSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CO1 ZINC000397951846 434445035 /nfs/dbraw/zinc/44/50/35/434445035.db2.gz PQHJMUBEPODQEK-PKOBYXMFSA-N 2 2 302.462 3.198 10 0 DGAELP CC[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000397918711 434446307 /nfs/dbraw/zinc/44/63/07/434446307.db2.gz MFPCIMWNIYBGGV-SLFFLAALSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000397918711 434446313 /nfs/dbraw/zinc/44/63/13/434446313.db2.gz MFPCIMWNIYBGGV-SLFFLAALSA-N 2 2 316.489 3.446 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527812623 295135098 /nfs/dbraw/zinc/13/50/98/295135098.db2.gz VKYBKHRMUSTLTR-ZMMAXQRCSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527812623 295135100 /nfs/dbraw/zinc/13/51/00/295135100.db2.gz VKYBKHRMUSTLTR-ZMMAXQRCSA-N 2 2 306.494 3.188 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000515383893 435481348 /nfs/dbraw/zinc/48/13/48/435481348.db2.gz XJMSOYFBSMREOK-IRXDYDNUSA-N 2 2 316.474 3.040 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000515383893 435481353 /nfs/dbraw/zinc/48/13/53/435481353.db2.gz XJMSOYFBSMREOK-IRXDYDNUSA-N 2 2 316.474 3.040 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000568936114 435484232 /nfs/dbraw/zinc/48/42/32/435484232.db2.gz CWEZIGIENTUXHB-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)CC2 ZINC000568936114 435484236 /nfs/dbraw/zinc/48/42/36/435484236.db2.gz CWEZIGIENTUXHB-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[NH+]1CCCC1)CCCC2 ZINC000489611726 435651482 /nfs/dbraw/zinc/65/14/82/435651482.db2.gz XGPZACJUMUQTAE-LJQANCHMSA-N 2 2 314.473 3.465 10 0 DGAELP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000537227982 313803312 /nfs/dbraw/zinc/80/33/12/313803312.db2.gz AVFKWNPBMLAAOS-MJGOQNOKSA-N 2 2 307.441 3.444 10 0 DGAELP c1ccc(OCCCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562836895 315056242 /nfs/dbraw/zinc/05/62/42/315056242.db2.gz BODIDVWJEKDGIF-RTBURBONSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562836895 315056245 /nfs/dbraw/zinc/05/62/45/315056245.db2.gz BODIDVWJEKDGIF-RTBURBONSA-N 2 2 302.462 3.452 10 0 DGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871295 315058659 /nfs/dbraw/zinc/05/86/59/315058659.db2.gz IBSDAJDZZNDLQC-OXJNMPFZSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871295 315058660 /nfs/dbraw/zinc/05/86/60/315058660.db2.gz IBSDAJDZZNDLQC-OXJNMPFZSA-N 2 2 310.441 3.305 10 0 DGAELP Cc1[nH]c(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)[nH+]c1C ZINC000565549924 315269980 /nfs/dbraw/zinc/26/99/80/315269980.db2.gz OTCSVGHLMOUMLC-IBGZPJMESA-N 2 2 312.461 3.171 10 0 DGAELP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(OC)cc1 ZINC000163292068 520778228 /nfs/dbraw/zinc/77/82/28/520778228.db2.gz IFDMFNKUTWIQNS-PKOBYXMFSA-N 2 2 320.477 3.237 10 0 DGAELP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(OC)cc1 ZINC000163292068 520778233 /nfs/dbraw/zinc/77/82/33/520778233.db2.gz IFDMFNKUTWIQNS-PKOBYXMFSA-N 2 2 320.477 3.237 10 0 DGAELP CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456338 523821539 /nfs/dbraw/zinc/82/15/39/523821539.db2.gz FYADDBHLNRGGRI-ZDUSSCGKSA-N 2 2 314.408 3.257 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163382367 523830172 /nfs/dbraw/zinc/83/01/72/523830172.db2.gz OHMUENHMWYYTJB-GXTWGEPZSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000163382367 523830178 /nfs/dbraw/zinc/83/01/78/523830178.db2.gz OHMUENHMWYYTJB-GXTWGEPZSA-N 2 2 314.832 3.241 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCO1 ZINC000328648982 534813792 /nfs/dbraw/zinc/81/37/92/534813792.db2.gz UVIPGKOXCNNBEM-KONPQCLYSA-N 2 2 303.450 3.199 10 0 DGAELP Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456214 525278009 /nfs/dbraw/zinc/27/80/09/525278009.db2.gz YZVPQFRQYIKYJO-ZDUSSCGKSA-N 2 2 300.381 3.003 10 0 DGAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673082 545676521 /nfs/dbraw/zinc/67/65/21/545676521.db2.gz HJTXQHLSVIPXQO-PWSUYJOCSA-N 2 2 315.230 3.333 10 0 DGAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673082 545676524 /nfs/dbraw/zinc/67/65/24/545676524.db2.gz HJTXQHLSVIPXQO-PWSUYJOCSA-N 2 2 315.230 3.333 10 0 DGAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152970964 546006217 /nfs/dbraw/zinc/00/62/17/546006217.db2.gz MXIMREYJUVOPKY-HNAYVOBHSA-N 2 2 312.461 3.423 10 0 DGAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152970964 546006222 /nfs/dbraw/zinc/00/62/22/546006222.db2.gz MXIMREYJUVOPKY-HNAYVOBHSA-N 2 2 312.461 3.423 10 0 DGAELP CC(C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCCC1 ZINC000157627058 546042285 /nfs/dbraw/zinc/04/22/85/546042285.db2.gz ZFLXXENCGBIQLU-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCCC1 ZINC000157627058 546042290 /nfs/dbraw/zinc/04/22/90/546042290.db2.gz ZFLXXENCGBIQLU-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000157627058 546042293 /nfs/dbraw/zinc/04/22/93/546042293.db2.gz ZFLXXENCGBIQLU-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000157627058 546042299 /nfs/dbraw/zinc/04/22/99/546042299.db2.gz ZFLXXENCGBIQLU-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000188420216 546205564 /nfs/dbraw/zinc/20/55/64/546205564.db2.gz WBTPDCJUUUMEPP-CQSZACIVSA-N 2 2 304.463 3.203 10 0 DGAELP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000188420216 546205567 /nfs/dbraw/zinc/20/55/67/546205567.db2.gz WBTPDCJUUUMEPP-CQSZACIVSA-N 2 2 304.463 3.203 10 0 DGAELP COc1cccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1F ZINC000192684434 546236265 /nfs/dbraw/zinc/23/62/65/546236265.db2.gz IJOCHVBLPNIZAT-UHFFFAOYSA-N 2 2 320.383 3.325 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321966154 546472210 /nfs/dbraw/zinc/47/22/10/546472210.db2.gz JPOSFULDIXWAED-WMZOPIPTSA-N 2 2 311.429 3.306 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321966154 546472214 /nfs/dbraw/zinc/47/22/14/546472214.db2.gz JPOSFULDIXWAED-WMZOPIPTSA-N 2 2 311.429 3.306 10 0 DGAELP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000390557250 546754708 /nfs/dbraw/zinc/75/47/08/546754708.db2.gz INHDVVXUVKGBQH-IPMKNSEASA-N 2 2 302.462 3.198 10 0 DGAELP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000390557250 546754711 /nfs/dbraw/zinc/75/47/11/546754711.db2.gz INHDVVXUVKGBQH-IPMKNSEASA-N 2 2 302.462 3.198 10 0 DGAELP c1[nH]nc2c1[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000353443940 659982510 /nfs/dbraw/zinc/98/25/10/659982510.db2.gz DZAXXCLTOCEKLV-IBGZPJMESA-N 2 2 324.472 3.084 10 0 DGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1Cl ZINC000156233683 661860709 /nfs/dbraw/zinc/86/07/09/661860709.db2.gz ZFTZHADYGMZHPX-ZDUSSCGKSA-N 2 2 316.836 3.450 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)[nH+]1 ZINC000195516348 662191192 /nfs/dbraw/zinc/19/11/92/662191192.db2.gz YXEXEBKBWKWKBO-HNNXBMFYSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)[nH+]1 ZINC000195516348 662191195 /nfs/dbraw/zinc/19/11/95/662191195.db2.gz YXEXEBKBWKWKBO-HNNXBMFYSA-N 2 2 316.836 3.372 10 0 DGAELP c1cn(CCCC[NH2+]Cc2ccc(N3CCCCC3)cc2)c[nH+]1 ZINC000079923700 1196998523 /nfs/dbraw/zinc/99/85/23/1196998523.db2.gz DJYNPDFBIROQRZ-UHFFFAOYSA-N 2 2 312.461 3.443 10 0 DGAELP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@@H](C)C1 ZINC000328627210 231258429 /nfs/dbraw/zinc/25/84/29/231258429.db2.gz FVYWMVLUKPNSSY-BVRUVYRISA-N 2 2 301.478 3.489 10 0 DGAELP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@@H](C)C1 ZINC000328627210 231258430 /nfs/dbraw/zinc/25/84/30/231258430.db2.gz FVYWMVLUKPNSSY-BVRUVYRISA-N 2 2 301.478 3.489 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000180132298 282214490 /nfs/dbraw/zinc/21/44/90/282214490.db2.gz FWEBIVOBOZBHFU-ZDUSSCGKSA-N 2 2 309.335 3.273 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000180132298 282214495 /nfs/dbraw/zinc/21/44/95/282214495.db2.gz FWEBIVOBOZBHFU-ZDUSSCGKSA-N 2 2 309.335 3.273 10 0 DGAELP C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661189 432095232 /nfs/dbraw/zinc/09/52/32/432095232.db2.gz QPACIIDBRFMELD-OAHLLOKOSA-N 2 2 320.396 3.162 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449384222 240168114 /nfs/dbraw/zinc/16/81/14/240168114.db2.gz AKBWEQQDPFVTMC-NKAIQICCSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449384222 240168120 /nfs/dbraw/zinc/16/81/20/240168120.db2.gz AKBWEQQDPFVTMC-NKAIQICCSA-N 2 2 322.880 3.180 10 0 DGAELP CCC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000092166010 193169464 /nfs/dbraw/zinc/16/94/64/193169464.db2.gz XQBPQYCLRSXUBF-UHFFFAOYSA-N 2 2 312.461 3.383 10 0 DGAELP CCC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000092166010 193169466 /nfs/dbraw/zinc/16/94/66/193169466.db2.gz XQBPQYCLRSXUBF-UHFFFAOYSA-N 2 2 312.461 3.383 10 0 DGAELP Clc1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000459348567 243344274 /nfs/dbraw/zinc/34/42/74/243344274.db2.gz YYDDXMBLBQHKBE-INIZCTEOSA-N 2 2 324.900 3.125 10 0 DGAELP Clc1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000459348567 243344278 /nfs/dbraw/zinc/34/42/78/243344278.db2.gz YYDDXMBLBQHKBE-INIZCTEOSA-N 2 2 324.900 3.125 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639832 193278455 /nfs/dbraw/zinc/27/84/55/193278455.db2.gz UOAKFGXKTCORNF-BEFAXECRSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639832 193278457 /nfs/dbraw/zinc/27/84/57/193278457.db2.gz UOAKFGXKTCORNF-BEFAXECRSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639832 193278459 /nfs/dbraw/zinc/27/84/59/193278459.db2.gz UOAKFGXKTCORNF-BEFAXECRSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639832 193278461 /nfs/dbraw/zinc/27/84/61/193278461.db2.gz UOAKFGXKTCORNF-BEFAXECRSA-N 2 2 312.461 3.239 10 0 DGAELP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2OC)C1 ZINC000093742236 193298635 /nfs/dbraw/zinc/29/86/35/193298635.db2.gz QZQOABMYOGCQBJ-UGAXZCSASA-N 2 2 302.462 3.372 10 0 DGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2OC)C1 ZINC000093742236 193298636 /nfs/dbraw/zinc/29/86/36/193298636.db2.gz QZQOABMYOGCQBJ-UGAXZCSASA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000093742236 193298638 /nfs/dbraw/zinc/29/86/38/193298638.db2.gz QZQOABMYOGCQBJ-UGAXZCSASA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000093742236 193298639 /nfs/dbraw/zinc/29/86/39/193298639.db2.gz QZQOABMYOGCQBJ-UGAXZCSASA-N 2 2 302.462 3.372 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644192 193281930 /nfs/dbraw/zinc/28/19/30/193281930.db2.gz PHNXIXBSFWRBCR-WMLDXEAASA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@H+]1C ZINC000093644192 193281932 /nfs/dbraw/zinc/28/19/32/193281932.db2.gz PHNXIXBSFWRBCR-WMLDXEAASA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644192 193281933 /nfs/dbraw/zinc/28/19/33/193281933.db2.gz PHNXIXBSFWRBCR-WMLDXEAASA-N 2 2 302.462 3.315 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644192 193281935 /nfs/dbraw/zinc/28/19/35/193281935.db2.gz PHNXIXBSFWRBCR-WMLDXEAASA-N 2 2 302.462 3.315 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644332 193282111 /nfs/dbraw/zinc/28/21/11/193282111.db2.gz LOPNLKGKDNANEJ-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644332 193282113 /nfs/dbraw/zinc/28/21/13/193282113.db2.gz LOPNLKGKDNANEJ-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644332 193282115 /nfs/dbraw/zinc/28/21/15/193282115.db2.gz LOPNLKGKDNANEJ-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644332 193282116 /nfs/dbraw/zinc/28/21/16/193282116.db2.gz LOPNLKGKDNANEJ-QAPCUYQASA-N 2 2 312.461 3.300 10 0 DGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643863 193282540 /nfs/dbraw/zinc/28/25/40/193282540.db2.gz IXCKAJKJUPDDBP-WBVHZDCISA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643863 193282541 /nfs/dbraw/zinc/28/25/41/193282541.db2.gz IXCKAJKJUPDDBP-WBVHZDCISA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643863 193282543 /nfs/dbraw/zinc/28/25/43/193282543.db2.gz IXCKAJKJUPDDBP-WBVHZDCISA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643863 193282545 /nfs/dbraw/zinc/28/25/45/193282545.db2.gz IXCKAJKJUPDDBP-WBVHZDCISA-N 2 2 320.477 3.397 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122051665 284212152 /nfs/dbraw/zinc/21/21/52/284212152.db2.gz MYZMAABEBCGBBG-FUHWJXTLSA-N 2 2 300.446 3.073 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122051665 284212153 /nfs/dbraw/zinc/21/21/53/284212153.db2.gz MYZMAABEBCGBBG-FUHWJXTLSA-N 2 2 300.446 3.073 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731148 217207925 /nfs/dbraw/zinc/20/79/25/217207925.db2.gz MGFQXEZVBOCIRX-RDJZCZTQSA-N 2 2 301.434 3.092 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731148 217207927 /nfs/dbraw/zinc/20/79/27/217207927.db2.gz MGFQXEZVBOCIRX-RDJZCZTQSA-N 2 2 301.434 3.092 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000105897936 194162083 /nfs/dbraw/zinc/16/20/83/194162083.db2.gz GDXMALAYTHHGQQ-QGZVFWFLSA-N 2 2 315.465 3.149 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000105897936 194162086 /nfs/dbraw/zinc/16/20/86/194162086.db2.gz GDXMALAYTHHGQQ-QGZVFWFLSA-N 2 2 315.465 3.149 10 0 DGAELP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)cc(C)c1OC(F)F ZINC000091669882 252615319 /nfs/dbraw/zinc/61/53/19/252615319.db2.gz SFUKJDFUXJHRSH-UHFFFAOYSA-N 2 2 312.404 3.431 10 0 DGAELP c1[nH+]c([C@@H]2CCCN(c3cc[nH+]c(C4CC4)n3)C2)n2c1CCCC2 ZINC000336938596 253025077 /nfs/dbraw/zinc/02/50/77/253025077.db2.gz WEWPOWWXFLBAMD-OAHLLOKOSA-N 2 2 323.444 3.271 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384416 253102458 /nfs/dbraw/zinc/10/24/58/253102458.db2.gz KLZLDZXEMKSNFE-GJZGRUSLSA-N 2 2 305.491 3.152 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384416 253102460 /nfs/dbraw/zinc/10/24/60/253102460.db2.gz KLZLDZXEMKSNFE-GJZGRUSLSA-N 2 2 305.491 3.152 10 0 DGAELP CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000328619130 257264070 /nfs/dbraw/zinc/26/40/70/257264070.db2.gz FNAPAJRUFSOPER-UKRRQHHQSA-N 2 2 322.415 3.054 10 0 DGAELP Cc1noc(C)c1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121810981 195352530 /nfs/dbraw/zinc/35/25/30/195352530.db2.gz BLWOJHWPBYVSJF-IBGZPJMESA-N 2 2 313.445 3.436 10 0 DGAELP Cc1noc(C)c1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121810981 195352532 /nfs/dbraw/zinc/35/25/32/195352532.db2.gz BLWOJHWPBYVSJF-IBGZPJMESA-N 2 2 313.445 3.436 10 0 DGAELP C[C@@]1(C[NH2+]CC2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121810088 195353188 /nfs/dbraw/zinc/35/31/88/195353188.db2.gz LCOCWSZCLPZTKO-IBGZPJMESA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@]1(C[NH2+]CC2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000121810088 195353190 /nfs/dbraw/zinc/35/31/90/195353190.db2.gz LCOCWSZCLPZTKO-IBGZPJMESA-N 2 2 302.462 3.057 10 0 DGAELP Cc1ccccc1-c1noc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000608756930 400116889 /nfs/dbraw/zinc/11/68/89/400116889.db2.gz GGXVGIXMDLXINZ-UHFFFAOYSA-N 2 2 323.400 3.148 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616606534 400183548 /nfs/dbraw/zinc/18/35/48/400183548.db2.gz CLQNLDNASJRMRJ-OAHLLOKOSA-N 2 2 305.422 3.129 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616606534 400183555 /nfs/dbraw/zinc/18/35/55/400183555.db2.gz CLQNLDNASJRMRJ-OAHLLOKOSA-N 2 2 305.422 3.129 10 0 DGAELP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328635969 400183799 /nfs/dbraw/zinc/18/37/99/400183799.db2.gz NVGXMKPZFCKPHA-AYBZRNKSSA-N 2 2 313.445 3.278 10 0 DGAELP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328635969 400183805 /nfs/dbraw/zinc/18/38/05/400183805.db2.gz NVGXMKPZFCKPHA-AYBZRNKSSA-N 2 2 313.445 3.278 10 0 DGAELP Cc1ncccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608068926 401180153 /nfs/dbraw/zinc/18/01/53/401180153.db2.gz MWPKUQRLXFLROW-SFHVURJKSA-N 2 2 306.413 3.197 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890331 401564371 /nfs/dbraw/zinc/56/43/71/401564371.db2.gz QWTXORMGFICUOI-HIFRSBDPSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631890331 401564375 /nfs/dbraw/zinc/56/43/75/401564375.db2.gz QWTXORMGFICUOI-HIFRSBDPSA-N 2 2 309.251 3.023 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH+]c2ccccn12 ZINC000364660434 287050360 /nfs/dbraw/zinc/05/03/60/287050360.db2.gz SCEBCDKGVCKDQQ-RYQLBKOJSA-N 2 2 313.445 3.062 10 0 DGAELP Fc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000364919508 287075846 /nfs/dbraw/zinc/07/58/46/287075846.db2.gz WKTQZBUFWHHICG-INIZCTEOSA-N 2 2 305.441 3.309 10 0 DGAELP Fc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000364919508 287075847 /nfs/dbraw/zinc/07/58/47/287075847.db2.gz WKTQZBUFWHHICG-INIZCTEOSA-N 2 2 305.441 3.309 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342464 165244786 /nfs/dbraw/zinc/24/47/86/165244786.db2.gz QQAQWCGREIZIHA-DLBZAZTESA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342464 165244787 /nfs/dbraw/zinc/24/47/87/165244787.db2.gz QQAQWCGREIZIHA-DLBZAZTESA-N 2 2 305.466 3.024 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016297 432192178 /nfs/dbraw/zinc/19/21/78/432192178.db2.gz LXOOWLKYAGFTIV-DZGCQCFKSA-N 2 2 303.406 3.097 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016297 432192182 /nfs/dbraw/zinc/19/21/82/432192182.db2.gz LXOOWLKYAGFTIV-DZGCQCFKSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016297 432192186 /nfs/dbraw/zinc/19/21/86/432192186.db2.gz LXOOWLKYAGFTIV-DZGCQCFKSA-N 2 2 303.406 3.097 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000247016297 432192188 /nfs/dbraw/zinc/19/21/88/432192188.db2.gz LXOOWLKYAGFTIV-DZGCQCFKSA-N 2 2 303.406 3.097 10 0 DGAELP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H](c2ccccc2)O1 ZINC000247121051 432202921 /nfs/dbraw/zinc/20/29/21/432202921.db2.gz MPMPURGHZGWXDH-HKUYNNGSSA-N 2 2 302.462 3.324 10 0 DGAELP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H](c2ccccc2)O1 ZINC000247121051 432202926 /nfs/dbraw/zinc/20/29/26/432202926.db2.gz MPMPURGHZGWXDH-HKUYNNGSSA-N 2 2 302.462 3.324 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130668210 196099523 /nfs/dbraw/zinc/09/95/23/196099523.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130668210 196099524 /nfs/dbraw/zinc/09/95/24/196099524.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130668210 196099526 /nfs/dbraw/zinc/09/95/26/196099526.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130668210 196099528 /nfs/dbraw/zinc/09/95/28/196099528.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186547 263979863 /nfs/dbraw/zinc/97/98/63/263979863.db2.gz ZCFVDDPMYSVTIB-HUUCEWRRSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186547 263979865 /nfs/dbraw/zinc/97/98/65/263979865.db2.gz ZCFVDDPMYSVTIB-HUUCEWRRSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3C3CCOCC3)c2)c[nH+]1 ZINC000346278813 264001486 /nfs/dbraw/zinc/00/14/86/264001486.db2.gz KXZHUKQPLXZOME-KRWDZBQOSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]3C3CCOCC3)c2)c[nH+]1 ZINC000346278813 264001489 /nfs/dbraw/zinc/00/14/89/264001489.db2.gz KXZHUKQPLXZOME-KRWDZBQOSA-N 2 2 317.458 3.325 10 0 DGAELP Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cnn1C(C)C ZINC000191163625 432228839 /nfs/dbraw/zinc/22/88/39/432228839.db2.gz UMQOJAUHPQBMKG-CQSZACIVSA-N 2 2 324.432 3.204 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)CC[C@H]3C)c2cc1C ZINC000247474121 432233220 /nfs/dbraw/zinc/23/32/20/432233220.db2.gz JMWRFYFGEVNUHS-IAOVAPTHSA-N 2 2 315.461 3.134 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)CC[C@H]3C)c2cc1C ZINC000247474121 432233224 /nfs/dbraw/zinc/23/32/24/432233224.db2.gz JMWRFYFGEVNUHS-IAOVAPTHSA-N 2 2 315.461 3.134 10 0 DGAELP c1n[nH]c2c1[C@@H]([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000367611095 271050108 /nfs/dbraw/zinc/05/01/08/271050108.db2.gz AATCUJUIPIAYFV-SFHVURJKSA-N 2 2 310.445 3.173 10 0 DGAELP C[C@H](CSC(C)(C)C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151508350 432251998 /nfs/dbraw/zinc/25/19/98/432251998.db2.gz MXLXTMKQHKYRRN-CYBMUJFWSA-N 2 2 304.463 3.277 10 0 DGAELP Cc1cncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000248913346 279024440 /nfs/dbraw/zinc/02/44/40/279024440.db2.gz JKTUPWWGPJPRHW-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000248913346 279024442 /nfs/dbraw/zinc/02/44/42/279024442.db2.gz JKTUPWWGPJPRHW-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000248913346 279024445 /nfs/dbraw/zinc/02/44/45/279024445.db2.gz JKTUPWWGPJPRHW-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000248913346 279024446 /nfs/dbraw/zinc/02/44/46/279024446.db2.gz JKTUPWWGPJPRHW-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188103144 279175491 /nfs/dbraw/zinc/17/54/91/279175491.db2.gz YTEZYZVOLNXQOA-HNNXBMFYSA-N 2 2 302.466 3.233 10 0 DGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000030902570 431748609 /nfs/dbraw/zinc/74/86/09/431748609.db2.gz ZCIPLASDMUCRJE-CJNGLKHVSA-N 2 2 308.385 3.274 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000122875528 431847366 /nfs/dbraw/zinc/84/73/66/431847366.db2.gz ODMUAYZQTOOGTA-GOSISDBHSA-N 2 2 313.445 3.429 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(COC)cc2)C1 ZINC000122875528 431847367 /nfs/dbraw/zinc/84/73/67/431847367.db2.gz ODMUAYZQTOOGTA-GOSISDBHSA-N 2 2 313.445 3.429 10 0 DGAELP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917701 431851336 /nfs/dbraw/zinc/85/13/36/431851336.db2.gz FYSGEGGJUPKGDQ-CJNGLKHVSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917701 431851338 /nfs/dbraw/zinc/85/13/38/431851338.db2.gz FYSGEGGJUPKGDQ-CJNGLKHVSA-N 2 2 308.853 3.313 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916205 431851656 /nfs/dbraw/zinc/85/16/56/431851656.db2.gz WBHQONHIBCSBPY-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037916205 431851658 /nfs/dbraw/zinc/85/16/58/431851658.db2.gz WBHQONHIBCSBPY-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123101039 431854679 /nfs/dbraw/zinc/85/46/79/431854679.db2.gz PXWHKYYEGJVGDH-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2csc(Br)c2)CC[N@H+]1C ZINC000123101039 431854680 /nfs/dbraw/zinc/85/46/80/431854680.db2.gz PXWHKYYEGJVGDH-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123101039 431854681 /nfs/dbraw/zinc/85/46/81/431854681.db2.gz PXWHKYYEGJVGDH-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123101039 431854683 /nfs/dbraw/zinc/85/46/83/431854683.db2.gz PXWHKYYEGJVGDH-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123101247 431854845 /nfs/dbraw/zinc/85/48/45/431854845.db2.gz PXWHKYYEGJVGDH-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2csc(Br)c2)CC[N@H+]1C ZINC000123101247 431854848 /nfs/dbraw/zinc/85/48/48/431854848.db2.gz PXWHKYYEGJVGDH-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123101247 431854849 /nfs/dbraw/zinc/85/48/49/431854849.db2.gz PXWHKYYEGJVGDH-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123101247 431854852 /nfs/dbraw/zinc/85/48/52/431854852.db2.gz PXWHKYYEGJVGDH-PWSUYJOCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000123173821 431857588 /nfs/dbraw/zinc/85/75/88/431857588.db2.gz CDPXLWOYTYVJCG-JSGCOSHPSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000123173821 431857590 /nfs/dbraw/zinc/85/75/90/431857590.db2.gz CDPXLWOYTYVJCG-JSGCOSHPSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173821 431857591 /nfs/dbraw/zinc/85/75/91/431857591.db2.gz CDPXLWOYTYVJCG-JSGCOSHPSA-N 2 2 324.852 3.026 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCO3)CC[NH+]1C ZINC000123173821 431857592 /nfs/dbraw/zinc/85/75/92/431857592.db2.gz CDPXLWOYTYVJCG-JSGCOSHPSA-N 2 2 324.852 3.026 10 0 DGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1SC ZINC000123408179 431864251 /nfs/dbraw/zinc/86/42/51/431864251.db2.gz QGNMXGKKNVINDN-ZFWWWQNUSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1SC ZINC000123408179 431864254 /nfs/dbraw/zinc/86/42/54/431864254.db2.gz QGNMXGKKNVINDN-ZFWWWQNUSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1SC ZINC000123408179 431864256 /nfs/dbraw/zinc/86/42/56/431864256.db2.gz QGNMXGKKNVINDN-ZFWWWQNUSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1SC ZINC000123408179 431864258 /nfs/dbraw/zinc/86/42/58/431864258.db2.gz QGNMXGKKNVINDN-ZFWWWQNUSA-N 2 2 308.491 3.332 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958270 431879236 /nfs/dbraw/zinc/87/92/36/431879236.db2.gz WQMRHLDCXPDITO-GXTWGEPZSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958270 431879238 /nfs/dbraw/zinc/87/92/38/431879238.db2.gz WQMRHLDCXPDITO-GXTWGEPZSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958270 431879241 /nfs/dbraw/zinc/87/92/41/431879241.db2.gz WQMRHLDCXPDITO-GXTWGEPZSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958270 431879242 /nfs/dbraw/zinc/87/92/42/431879242.db2.gz WQMRHLDCXPDITO-GXTWGEPZSA-N 2 2 311.267 3.364 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173380023 432275477 /nfs/dbraw/zinc/27/54/77/432275477.db2.gz DLPATZYHEVAJMG-HOCLYGCPSA-N 2 2 308.491 3.170 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173380023 432275481 /nfs/dbraw/zinc/27/54/81/432275481.db2.gz DLPATZYHEVAJMG-HOCLYGCPSA-N 2 2 308.491 3.170 10 0 DGAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000248443500 432291524 /nfs/dbraw/zinc/29/15/24/432291524.db2.gz VVXPBPZVXLUPEY-JKSUJKDBSA-N 2 2 321.465 3.060 10 0 DGAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000248443500 432291529 /nfs/dbraw/zinc/29/15/29/432291529.db2.gz VVXPBPZVXLUPEY-JKSUJKDBSA-N 2 2 321.465 3.060 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072915 432265926 /nfs/dbraw/zinc/26/59/26/432265926.db2.gz MSEWIANXUGRJAN-CZUORRHYSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072915 432265929 /nfs/dbraw/zinc/26/59/29/432265929.db2.gz MSEWIANXUGRJAN-CZUORRHYSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072915 432265932 /nfs/dbraw/zinc/26/59/32/432265932.db2.gz MSEWIANXUGRJAN-CZUORRHYSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)CC[C@H]21 ZINC000248072915 432265933 /nfs/dbraw/zinc/26/59/33/432265933.db2.gz MSEWIANXUGRJAN-CZUORRHYSA-N 2 2 317.458 3.319 10 0 DGAELP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000153269320 432396335 /nfs/dbraw/zinc/39/63/35/432396335.db2.gz AQBPRLZDRVUTTH-DLBZAZTESA-N 2 2 320.477 3.093 10 0 DGAELP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000153326441 432401314 /nfs/dbraw/zinc/40/13/14/432401314.db2.gz IRBHCOQKEIEIPV-STQMWFEESA-N 2 2 316.898 3.411 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc2ncccc2c1 ZINC000262025321 432469984 /nfs/dbraw/zinc/46/99/84/432469984.db2.gz NNAVVHPIURSFBK-UHFFFAOYSA-N 2 2 305.425 3.238 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc2ncccc2c1 ZINC000262025321 432469988 /nfs/dbraw/zinc/46/99/88/432469988.db2.gz NNAVVHPIURSFBK-UHFFFAOYSA-N 2 2 305.425 3.238 10 0 DGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000162219155 432817202 /nfs/dbraw/zinc/81/72/02/432817202.db2.gz HHFPVVYTEURVMQ-LJQANCHMSA-N 2 2 315.461 3.397 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCC3CCCC3)c12 ZINC000178857496 432783825 /nfs/dbraw/zinc/78/38/25/432783825.db2.gz HSTUWYQHOTWJSE-UHFFFAOYSA-N 2 2 308.389 3.203 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749977 432860802 /nfs/dbraw/zinc/86/08/02/432860802.db2.gz NQIVXNAKJRLAHZ-MEDUHNTESA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749977 432860804 /nfs/dbraw/zinc/86/08/04/432860804.db2.gz NQIVXNAKJRLAHZ-MEDUHNTESA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749977 432860807 /nfs/dbraw/zinc/86/08/07/432860807.db2.gz NQIVXNAKJRLAHZ-MEDUHNTESA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000245749977 432860810 /nfs/dbraw/zinc/86/08/10/432860810.db2.gz NQIVXNAKJRLAHZ-MEDUHNTESA-N 2 2 300.368 3.266 10 0 DGAELP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000245586034 432847285 /nfs/dbraw/zinc/84/72/85/432847285.db2.gz DXGPIJXWBCJNQF-ZTFGCOKTSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000245586034 432847286 /nfs/dbraw/zinc/84/72/86/432847286.db2.gz DXGPIJXWBCJNQF-ZTFGCOKTSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000245586034 432847289 /nfs/dbraw/zinc/84/72/89/432847289.db2.gz DXGPIJXWBCJNQF-ZTFGCOKTSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000245586034 432847291 /nfs/dbraw/zinc/84/72/91/432847291.db2.gz DXGPIJXWBCJNQF-ZTFGCOKTSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620153 432850383 /nfs/dbraw/zinc/85/03/83/432850383.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620153 432850385 /nfs/dbraw/zinc/85/03/85/432850385.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000245620153 432850389 /nfs/dbraw/zinc/85/03/89/432850389.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000245620153 432850391 /nfs/dbraw/zinc/85/03/91/432850391.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 2 2 321.896 3.158 10 0 DGAELP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000453385481 433138287 /nfs/dbraw/zinc/13/82/87/433138287.db2.gz NLMOQMPNKNHLEZ-CRAIPNDOSA-N 2 2 313.445 3.237 10 0 DGAELP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000453385481 433138290 /nfs/dbraw/zinc/13/82/90/433138290.db2.gz NLMOQMPNKNHLEZ-CRAIPNDOSA-N 2 2 313.445 3.237 10 0 DGAELP Cc1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519055 433210077 /nfs/dbraw/zinc/21/00/77/433210077.db2.gz IUSYGNWAKATLRZ-LJQANCHMSA-N 2 2 324.472 3.175 10 0 DGAELP Cc1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519055 433210081 /nfs/dbraw/zinc/21/00/81/433210081.db2.gz IUSYGNWAKATLRZ-LJQANCHMSA-N 2 2 324.472 3.175 10 0 DGAELP c1cn2c(cccc2C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)[nH+]1 ZINC000374498378 433205668 /nfs/dbraw/zinc/20/56/68/433205668.db2.gz VCLVZARTTLWZQA-LPHOPBHVSA-N 2 2 307.397 3.202 10 0 DGAELP Cc1cccc(NC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)[nH+]1 ZINC000301303098 433498701 /nfs/dbraw/zinc/49/87/01/433498701.db2.gz SHHNNKPNXKCFCY-UHFFFAOYSA-N 2 2 309.417 3.138 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2Br)CC[N@@H+]1C ZINC000282272966 433547177 /nfs/dbraw/zinc/54/71/77/433547177.db2.gz ARMNQRXBUYNQKJ-ONGXEEELSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2Br)CC[N@H+]1C ZINC000282272966 433547185 /nfs/dbraw/zinc/54/71/85/433547185.db2.gz ARMNQRXBUYNQKJ-ONGXEEELSA-N 2 2 303.269 3.083 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)[nH+]1 ZINC000374211081 293366269 /nfs/dbraw/zinc/36/62/69/293366269.db2.gz XNLVRHHTKKNCHF-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP c1[nH]cc(C2CC[NH+](CCCOCCc3ccccc3)CC2)[nH+]1 ZINC000374211428 293366324 /nfs/dbraw/zinc/36/63/24/293366324.db2.gz KMRCVJVKCMEBMD-UHFFFAOYSA-N 2 2 313.445 3.239 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC000377776241 433991846 /nfs/dbraw/zinc/99/18/46/433991846.db2.gz JZQNNENJBLBBOP-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CC2 ZINC000377776241 433991854 /nfs/dbraw/zinc/99/18/54/433991854.db2.gz JZQNNENJBLBBOP-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP CCc1cc(N[C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc[nH+]1 ZINC000450232963 293949983 /nfs/dbraw/zinc/94/99/83/293949983.db2.gz MLZCJJGLBKQAIS-SFHVURJKSA-N 2 2 322.412 3.010 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422994165 434157063 /nfs/dbraw/zinc/15/70/63/434157063.db2.gz USPBVSJTFYNJPH-CEXWTWQISA-N 2 2 316.493 3.399 10 0 DGAELP c1nc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000295126445 434217850 /nfs/dbraw/zinc/21/78/50/434217850.db2.gz BSCSTDKSMDOUSB-AWEZNQCLSA-N 2 2 316.474 3.098 10 0 DGAELP c1nc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000295126445 434217855 /nfs/dbraw/zinc/21/78/55/434217855.db2.gz BSCSTDKSMDOUSB-AWEZNQCLSA-N 2 2 316.474 3.098 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379645603 434258190 /nfs/dbraw/zinc/25/81/90/434258190.db2.gz IDDVFPUFRVUVFB-IEBWSBKVSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379645603 434258195 /nfs/dbraw/zinc/25/81/95/434258195.db2.gz IDDVFPUFRVUVFB-IEBWSBKVSA-N 3 2 303.494 3.148 10 0 DGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173316 434365751 /nfs/dbraw/zinc/36/57/51/434365751.db2.gz WGHLCBQGTWIYNB-AZUAARDMSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173316 434365761 /nfs/dbraw/zinc/36/57/61/434365761.db2.gz WGHLCBQGTWIYNB-AZUAARDMSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@H+](CCN[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173316 434365771 /nfs/dbraw/zinc/36/57/71/434365771.db2.gz WGHLCBQGTWIYNB-AZUAARDMSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000358173316 434365781 /nfs/dbraw/zinc/36/57/81/434365781.db2.gz WGHLCBQGTWIYNB-AZUAARDMSA-N 2 2 313.489 3.064 10 0 DGAELP CCCn1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405946141 434526272 /nfs/dbraw/zinc/52/62/72/434526272.db2.gz CKZHRQMIKRWNMG-LJQANCHMSA-N 2 2 312.461 3.047 10 0 DGAELP CCCn1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000405946141 434526278 /nfs/dbraw/zinc/52/62/78/434526278.db2.gz CKZHRQMIKRWNMG-LJQANCHMSA-N 2 2 312.461 3.047 10 0 DGAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCn3c(C)[nH+]c4ccccc43)C[C@H]2C1 ZINC000424252314 434667193 /nfs/dbraw/zinc/66/71/93/434667193.db2.gz DBQXFMLXLUAXIJ-WNKDZCFJSA-N 2 2 313.445 3.138 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH+]c2ccccn12 ZINC000462799565 434930057 /nfs/dbraw/zinc/93/00/57/434930057.db2.gz ZNUAMDKIERUUBK-BRWVUGGUSA-N 2 2 313.445 3.062 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)C(C)(C)C)c2cc1C ZINC000172263061 312744385 /nfs/dbraw/zinc/74/43/85/312744385.db2.gz DDXYJFBPGGGAFI-HUUCEWRRSA-N 2 2 303.450 3.038 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1F ZINC000530529642 313381035 /nfs/dbraw/zinc/38/10/35/313381035.db2.gz ZOYIOLIFFYXJSR-YJBOKZPZSA-N 2 2 313.420 3.221 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1F ZINC000530529642 313381039 /nfs/dbraw/zinc/38/10/39/313381039.db2.gz ZOYIOLIFFYXJSR-YJBOKZPZSA-N 2 2 313.420 3.221 10 0 DGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000545158773 314228370 /nfs/dbraw/zinc/22/83/70/314228370.db2.gz MTQKCRSACVGOKH-INIZCTEOSA-N 2 2 312.461 3.126 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)CC1 ZINC000545158773 314228373 /nfs/dbraw/zinc/22/83/73/314228373.db2.gz MTQKCRSACVGOKH-INIZCTEOSA-N 2 2 312.461 3.126 10 0 DGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000546573461 314311918 /nfs/dbraw/zinc/31/19/18/314311918.db2.gz MBDHBSDAAFUGTO-IAGOWNOFSA-N 2 2 302.462 3.429 10 0 DGAELP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546573461 314311920 /nfs/dbraw/zinc/31/19/20/314311920.db2.gz MBDHBSDAAFUGTO-IAGOWNOFSA-N 2 2 302.462 3.429 10 0 DGAELP C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000180125813 323222062 /nfs/dbraw/zinc/22/20/62/323222062.db2.gz JMYPQRCKYAYGPV-KSSFIOAISA-N 2 2 322.880 3.349 10 0 DGAELP CCC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccn1 ZINC000158602659 520781809 /nfs/dbraw/zinc/78/18/09/520781809.db2.gz AUDQSJQSEVDBHW-MRXNPFEDSA-N 2 2 307.401 3.293 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(F)cc1F ZINC000163380895 522616624 /nfs/dbraw/zinc/61/66/24/522616624.db2.gz LXZMBHSZXOYUFN-YOEHRIQHSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(F)cc1F ZINC000163380895 522616637 /nfs/dbraw/zinc/61/66/37/522616637.db2.gz LXZMBHSZXOYUFN-YOEHRIQHSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(F)cc1F ZINC000163381134 522631723 /nfs/dbraw/zinc/63/17/23/522631723.db2.gz LXZMBHSZXOYUFN-PBHICJAKSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(F)cc1F ZINC000163381134 522631730 /nfs/dbraw/zinc/63/17/30/522631730.db2.gz LXZMBHSZXOYUFN-PBHICJAKSA-N 2 2 312.404 3.116 10 0 DGAELP Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000156659593 525290492 /nfs/dbraw/zinc/29/04/92/525290492.db2.gz JFXJLGCBNPIBBS-AWEZNQCLSA-N 2 2 313.449 3.235 10 0 DGAELP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085872 546468919 /nfs/dbraw/zinc/46/89/19/546468919.db2.gz SRTXMYDOGPAWPE-WMZOPIPTSA-N 2 2 311.429 3.306 10 0 DGAELP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085872 546468921 /nfs/dbraw/zinc/46/89/21/546468921.db2.gz SRTXMYDOGPAWPE-WMZOPIPTSA-N 2 2 311.429 3.306 10 0 DGAELP c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298811 546470013 /nfs/dbraw/zinc/47/00/13/546470013.db2.gz MAJLKVYOCGMXSO-DLBZAZTESA-N 2 2 311.429 3.306 10 0 DGAELP c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298811 546470016 /nfs/dbraw/zinc/47/00/16/546470016.db2.gz MAJLKVYOCGMXSO-DLBZAZTESA-N 2 2 311.429 3.306 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667819314 547312271 /nfs/dbraw/zinc/31/22/71/547312271.db2.gz TWXAYXNUYMSXGY-AQNXPRMDSA-N 2 2 314.473 3.198 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667819314 547312272 /nfs/dbraw/zinc/31/22/72/547312272.db2.gz TWXAYXNUYMSXGY-AQNXPRMDSA-N 2 2 314.473 3.198 10 0 DGAELP C[C@H]([NH2+]CCCCCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914170 656158212 /nfs/dbraw/zinc/15/82/12/656158212.db2.gz KRGCZFOFQROGOS-INIZCTEOSA-N 2 2 301.434 3.466 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720876445 658154321 /nfs/dbraw/zinc/15/43/21/658154321.db2.gz ISMMIPVGFLFIBI-FOGDFJRCSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720876445 658154326 /nfs/dbraw/zinc/15/43/26/658154326.db2.gz ISMMIPVGFLFIBI-FOGDFJRCSA-N 2 2 306.759 3.470 10 0 DGAELP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1Br ZINC000157008907 658975839 /nfs/dbraw/zinc/97/58/39/658975839.db2.gz RSRDKUZPEQDRPR-LBPRGKRZSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1Br ZINC000157008907 658975844 /nfs/dbraw/zinc/97/58/44/658975844.db2.gz RSRDKUZPEQDRPR-LBPRGKRZSA-N 2 2 315.230 3.292 10 0 DGAELP C[N@H+](CCC[NH2+]C1CC1)Cc1csc(Br)c1 ZINC000042363475 661840248 /nfs/dbraw/zinc/84/02/48/661840248.db2.gz VDYGVRVLCYNTMI-UHFFFAOYSA-N 2 2 303.269 3.085 10 0 DGAELP C[N@@H+](CCC[NH2+]C1CC1)Cc1csc(Br)c1 ZINC000042363475 661840249 /nfs/dbraw/zinc/84/02/49/661840249.db2.gz VDYGVRVLCYNTMI-UHFFFAOYSA-N 2 2 303.269 3.085 10 0 DGAELP C[C@@H](CC[NH2+]Cc1ccc(Br)c(F)c1F)[NH+](C)C ZINC000701007974 1108886197 /nfs/dbraw/zinc/88/61/97/1108886197.db2.gz PRIGMJPXUCQVHO-VIFPVBQESA-N 2 2 321.209 3.157 10 0 DGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234324752 546278138 /nfs/dbraw/zinc/27/81/38/546278138.db2.gz WMNNLUKGPUKKIF-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000234324752 546278143 /nfs/dbraw/zinc/27/81/43/546278143.db2.gz WMNNLUKGPUKKIF-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP CCc1cc(N2CCC[C@H]([NH+]3CCCCCC3)C2)nc(C)[nH+]1 ZINC000302043083 529532763 /nfs/dbraw/zinc/53/27/63/529532763.db2.gz JBRYETAWGMDPRY-KRWDZBQOSA-N 2 2 302.466 3.192 10 0 DGAELP CCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000328628442 529635554 /nfs/dbraw/zinc/63/55/54/529635554.db2.gz HGSKLIBAJVOEMW-LPHOPBHVSA-N 2 2 313.445 3.362 10 0 DGAELP CCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000328628442 529635560 /nfs/dbraw/zinc/63/55/60/529635560.db2.gz HGSKLIBAJVOEMW-LPHOPBHVSA-N 2 2 313.445 3.362 10 0 DGAELP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000328628442 529635562 /nfs/dbraw/zinc/63/55/62/529635562.db2.gz HGSKLIBAJVOEMW-LPHOPBHVSA-N 2 2 313.445 3.362 10 0 DGAELP CCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328628442 529635566 /nfs/dbraw/zinc/63/55/66/529635566.db2.gz HGSKLIBAJVOEMW-LPHOPBHVSA-N 2 2 313.445 3.362 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)C2)[nH+]1 ZINC000172013284 198025958 /nfs/dbraw/zinc/02/59/58/198025958.db2.gz HGRUFRMOZAPPKX-INIZCTEOSA-N 2 2 313.449 3.101 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccn(C(C)C)n3)C2)[nH+]1 ZINC000172013284 198025960 /nfs/dbraw/zinc/02/59/60/198025960.db2.gz HGRUFRMOZAPPKX-INIZCTEOSA-N 2 2 313.449 3.101 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc2ccccc12 ZINC000072719600 191221937 /nfs/dbraw/zinc/22/19/37/191221937.db2.gz WWOJPDSJENZUIU-QGZVFWFLSA-N 2 2 324.472 3.246 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc2ccccc12 ZINC000072719600 191221939 /nfs/dbraw/zinc/22/19/39/191221939.db2.gz WWOJPDSJENZUIU-QGZVFWFLSA-N 2 2 324.472 3.246 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000174785654 198385149 /nfs/dbraw/zinc/38/51/49/198385149.db2.gz JJDTTXPSUWDGHB-ROUUACIJSA-N 2 2 313.445 3.124 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000174785654 198385151 /nfs/dbraw/zinc/38/51/51/198385151.db2.gz JJDTTXPSUWDGHB-ROUUACIJSA-N 2 2 313.445 3.124 10 0 DGAELP CCc1noc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000180669453 199194198 /nfs/dbraw/zinc/19/41/98/199194198.db2.gz QNXMPMRNKABJAL-OLZOCXBDSA-N 2 2 311.389 3.230 10 0 DGAELP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000246081435 432093915 /nfs/dbraw/zinc/09/39/15/432093915.db2.gz HWWRGSNFNQNUMK-HNAYVOBHSA-N 2 2 321.428 3.356 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000246081435 432093920 /nfs/dbraw/zinc/09/39/20/432093920.db2.gz HWWRGSNFNQNUMK-HNAYVOBHSA-N 2 2 321.428 3.356 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194514975 201242356 /nfs/dbraw/zinc/24/23/56/201242356.db2.gz SFWBSBVTDDAKPZ-ZDUSSCGKSA-N 2 2 301.261 3.419 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194514975 201242358 /nfs/dbraw/zinc/24/23/58/201242358.db2.gz SFWBSBVTDDAKPZ-ZDUSSCGKSA-N 2 2 301.261 3.419 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398265 240173167 /nfs/dbraw/zinc/17/31/67/240173167.db2.gz UFCYSECBCUXJDW-XOVFHRFOSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398265 240173173 /nfs/dbraw/zinc/17/31/73/240173173.db2.gz UFCYSECBCUXJDW-XOVFHRFOSA-N 2 2 322.880 3.180 10 0 DGAELP [NH3+]C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000091356269 193045788 /nfs/dbraw/zinc/04/57/88/193045788.db2.gz IYYWEBWZYKRZEU-UHFFFAOYSA-N 2 2 324.403 3.151 10 0 DGAELP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000459426091 243365317 /nfs/dbraw/zinc/36/53/17/243365317.db2.gz ICHGUJBMCPIZNY-CZUORRHYSA-N 2 2 305.447 3.217 10 0 DGAELP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000459426091 243365318 /nfs/dbraw/zinc/36/53/18/243365318.db2.gz ICHGUJBMCPIZNY-CZUORRHYSA-N 2 2 305.447 3.217 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796509 284070150 /nfs/dbraw/zinc/07/01/50/284070150.db2.gz DQWKIRWURLLHHB-AWEZNQCLSA-N 2 2 323.400 3.331 10 0 DGAELP CCCn1c2ccccc2nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644136 193280561 /nfs/dbraw/zinc/28/05/61/193280561.db2.gz QPHJIVNKGODWCW-CVEARBPZSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644136 193280564 /nfs/dbraw/zinc/28/05/64/193280564.db2.gz QPHJIVNKGODWCW-CVEARBPZSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644136 193280565 /nfs/dbraw/zinc/28/05/65/193280565.db2.gz QPHJIVNKGODWCW-CVEARBPZSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644136 193280567 /nfs/dbraw/zinc/28/05/67/193280567.db2.gz QPHJIVNKGODWCW-CVEARBPZSA-N 2 2 314.477 3.361 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639643 193278975 /nfs/dbraw/zinc/27/89/75/193278975.db2.gz NQIVXNAKJRLAHZ-BDJLRTHQSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639643 193278977 /nfs/dbraw/zinc/27/89/77/193278977.db2.gz NQIVXNAKJRLAHZ-BDJLRTHQSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639643 193278979 /nfs/dbraw/zinc/27/89/79/193278979.db2.gz NQIVXNAKJRLAHZ-BDJLRTHQSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639643 193278981 /nfs/dbraw/zinc/27/89/81/193278981.db2.gz NQIVXNAKJRLAHZ-BDJLRTHQSA-N 2 2 300.368 3.266 10 0 DGAELP CCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019273738 182112184 /nfs/dbraw/zinc/11/21/84/182112184.db2.gz ZVTGVGYQEFRFLA-ZDUSSCGKSA-N 2 2 303.219 3.320 10 0 DGAELP CCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019273738 182112185 /nfs/dbraw/zinc/11/21/85/182112185.db2.gz ZVTGVGYQEFRFLA-ZDUSSCGKSA-N 2 2 303.219 3.320 10 0 DGAELP C[C@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019946494 182168966 /nfs/dbraw/zinc/16/89/66/182168966.db2.gz NITWHDMVYNCARB-NHYWBVRUSA-N 2 2 309.251 3.194 10 0 DGAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042743805 183304499 /nfs/dbraw/zinc/30/44/99/183304499.db2.gz PUXAOCCXAABKRF-YGRLFVJLSA-N 2 2 305.249 3.350 10 0 DGAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042743805 183304502 /nfs/dbraw/zinc/30/45/02/183304502.db2.gz PUXAOCCXAABKRF-YGRLFVJLSA-N 2 2 305.249 3.350 10 0 DGAELP CCc1nc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cc(C)[nH+]1 ZINC000284504021 218055781 /nfs/dbraw/zinc/05/57/81/218055781.db2.gz ILQUHVKVYRIHAR-HNNXBMFYSA-N 2 2 311.433 3.291 10 0 DGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248998362 285044966 /nfs/dbraw/zinc/04/49/66/285044966.db2.gz MNSXJYKANXTNES-GDBMZVCRSA-N 2 2 308.441 3.087 10 0 DGAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248998362 285044968 /nfs/dbraw/zinc/04/49/68/285044968.db2.gz MNSXJYKANXTNES-GDBMZVCRSA-N 2 2 308.441 3.087 10 0 DGAELP COC[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000152961257 533093105 /nfs/dbraw/zinc/09/31/05/533093105.db2.gz HICXRQCAXXEPNH-OALUTQOASA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000152961257 533093108 /nfs/dbraw/zinc/09/31/08/533093108.db2.gz HICXRQCAXXEPNH-OALUTQOASA-N 2 2 302.462 3.056 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000120611270 195201543 /nfs/dbraw/zinc/20/15/43/195201543.db2.gz YAMKNEMIMXUHQL-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000120611270 195201546 /nfs/dbraw/zinc/20/15/46/195201546.db2.gz YAMKNEMIMXUHQL-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP c1ccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000253596781 257105605 /nfs/dbraw/zinc/10/56/05/257105605.db2.gz VWLIYETXQVLKLT-LEWJYISDSA-N 2 2 321.468 3.078 10 0 DGAELP c1ccc(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000253596781 257105606 /nfs/dbraw/zinc/10/56/06/257105606.db2.gz VWLIYETXQVLKLT-LEWJYISDSA-N 2 2 321.468 3.078 10 0 DGAELP c1ccc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000253596781 257105607 /nfs/dbraw/zinc/10/56/07/257105607.db2.gz VWLIYETXQVLKLT-LEWJYISDSA-N 2 2 321.468 3.078 10 0 DGAELP c1ccc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000253596781 257105608 /nfs/dbraw/zinc/10/56/08/257105608.db2.gz VWLIYETXQVLKLT-LEWJYISDSA-N 2 2 321.468 3.078 10 0 DGAELP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609635617 400184157 /nfs/dbraw/zinc/18/41/57/400184157.db2.gz BLXCFONMTYABOO-ROUUACIJSA-N 2 2 324.509 3.306 10 0 DGAELP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609635617 400184161 /nfs/dbraw/zinc/18/41/61/400184161.db2.gz BLXCFONMTYABOO-ROUUACIJSA-N 2 2 324.509 3.306 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000616619954 400186079 /nfs/dbraw/zinc/18/60/79/400186079.db2.gz SWYLPHHHEAGGCK-UHFFFAOYSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616620705 400186437 /nfs/dbraw/zinc/18/64/37/400186437.db2.gz KMPJKMYJUQFCGI-AWEZNQCLSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616620705 400186442 /nfs/dbraw/zinc/18/64/42/400186442.db2.gz KMPJKMYJUQFCGI-AWEZNQCLSA-N 2 2 319.449 3.172 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2ncccc21 ZINC000616679992 400201950 /nfs/dbraw/zinc/20/19/50/400201950.db2.gz JJACXKXUMMIGBS-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc2ncccc21 ZINC000616679992 400201952 /nfs/dbraw/zinc/20/19/52/400201952.db2.gz JJACXKXUMMIGBS-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP c1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]nc1-c1ccccc1 ZINC000093866335 400259080 /nfs/dbraw/zinc/25/90/80/400259080.db2.gz ZJJJIIBKAXEHKL-GOSISDBHSA-N 2 2 320.396 3.125 10 0 DGAELP c1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[nH]nc1-c1ccccc1 ZINC000093866335 400259085 /nfs/dbraw/zinc/25/90/85/400259085.db2.gz ZJJJIIBKAXEHKL-GOSISDBHSA-N 2 2 320.396 3.125 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000108867968 400348929 /nfs/dbraw/zinc/34/89/29/400348929.db2.gz LLNOEYBSOIABEA-AWEZNQCLSA-N 2 2 314.433 3.149 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000108867968 400348932 /nfs/dbraw/zinc/34/89/32/400348932.db2.gz LLNOEYBSOIABEA-AWEZNQCLSA-N 2 2 314.433 3.149 10 0 DGAELP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358237095 286007082 /nfs/dbraw/zinc/00/70/82/286007082.db2.gz MHZKPLWEGQLNPQ-HNNXBMFYSA-N 2 2 304.434 3.006 10 0 DGAELP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358237095 286007084 /nfs/dbraw/zinc/00/70/84/286007084.db2.gz MHZKPLWEGQLNPQ-HNNXBMFYSA-N 2 2 304.434 3.006 10 0 DGAELP COc1cc(C)c([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358239990 286008001 /nfs/dbraw/zinc/00/80/01/286008001.db2.gz QBEAOFHJUVMFJR-INIZCTEOSA-N 2 2 318.461 3.315 10 0 DGAELP COc1cc(C)c([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358239990 286008002 /nfs/dbraw/zinc/00/80/02/286008002.db2.gz QBEAOFHJUVMFJR-INIZCTEOSA-N 2 2 318.461 3.315 10 0 DGAELP Cc1ncccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608068925 401181033 /nfs/dbraw/zinc/18/10/33/401181033.db2.gz MWPKUQRLXFLROW-GOSISDBHSA-N 2 2 306.413 3.197 10 0 DGAELP c1ccc(N2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)[nH+]c1 ZINC000358346275 286037953 /nfs/dbraw/zinc/03/79/53/286037953.db2.gz BNUFZGJOZHRNCE-LJQANCHMSA-N 2 2 308.429 3.186 10 0 DGAELP c1cc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)cs1 ZINC000631888102 401563962 /nfs/dbraw/zinc/56/39/62/401563962.db2.gz UFKRSUHEEIPZKM-SWLSCSKDSA-N 2 2 319.499 3.446 10 0 DGAELP c1cc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cs2)cs1 ZINC000631888102 401563964 /nfs/dbraw/zinc/56/39/64/401563964.db2.gz UFKRSUHEEIPZKM-SWLSCSKDSA-N 2 2 319.499 3.446 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000628454001 401598526 /nfs/dbraw/zinc/59/85/26/401598526.db2.gz GXWFAJIVQGRSLY-GOSISDBHSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000628454001 401598530 /nfs/dbraw/zinc/59/85/30/401598530.db2.gz GXWFAJIVQGRSLY-GOSISDBHSA-N 2 2 302.462 3.452 10 0 DGAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360975710 286567375 /nfs/dbraw/zinc/56/73/75/286567375.db2.gz PXCWQSMDUBYAIL-AWEZNQCLSA-N 2 2 315.417 3.017 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)n2c1 ZINC000092785914 292397893 /nfs/dbraw/zinc/39/78/93/292397893.db2.gz PDTZSZOXOFZAHW-QGZVFWFLSA-N 2 2 312.461 3.093 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000364437473 287026296 /nfs/dbraw/zinc/02/62/96/287026296.db2.gz ARCHHHQLDIAZFH-QRQLOZEOSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000364437473 287026300 /nfs/dbraw/zinc/02/63/00/287026300.db2.gz ARCHHHQLDIAZFH-QRQLOZEOSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000364437471 287026328 /nfs/dbraw/zinc/02/63/28/287026328.db2.gz ARCHHHQLDIAZFH-NEWSRXKRSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000364437471 287026332 /nfs/dbraw/zinc/02/63/32/287026332.db2.gz ARCHHHQLDIAZFH-NEWSRXKRSA-N 2 2 302.462 3.198 10 0 DGAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000191490654 165255419 /nfs/dbraw/zinc/25/54/19/165255419.db2.gz DWGKZOHNHYWWIQ-SFHVURJKSA-N 2 2 311.429 3.337 10 0 DGAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000191490654 165255425 /nfs/dbraw/zinc/25/54/25/165255425.db2.gz DWGKZOHNHYWWIQ-SFHVURJKSA-N 2 2 311.429 3.337 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000192149138 165283429 /nfs/dbraw/zinc/28/34/29/165283429.db2.gz DLOUWFYCAXNTOC-IBGZPJMESA-N 2 2 307.397 3.004 10 0 DGAELP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000129258317 196033196 /nfs/dbraw/zinc/03/31/96/196033196.db2.gz LRGVUDZGHVBERY-ZIAGYGMSSA-N 2 2 324.350 3.478 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000182242978 432169228 /nfs/dbraw/zinc/16/92/28/432169228.db2.gz WHLMRFJORLFIMW-QGZVFWFLSA-N 2 2 311.429 3.355 10 0 DGAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299746575 229390190 /nfs/dbraw/zinc/39/01/90/229390190.db2.gz YEVZXWQKAGMZEC-AWEZNQCLSA-N 2 2 316.474 3.282 10 0 DGAELP Cc1nc(C)c(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299746575 229390193 /nfs/dbraw/zinc/39/01/93/229390193.db2.gz YEVZXWQKAGMZEC-AWEZNQCLSA-N 2 2 316.474 3.282 10 0 DGAELP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000347331286 264198090 /nfs/dbraw/zinc/19/80/90/264198090.db2.gz GKKSHTZUHSJROY-KCITZHQASA-N 2 2 302.462 3.054 10 0 DGAELP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000347331286 264198091 /nfs/dbraw/zinc/19/80/91/264198091.db2.gz GKKSHTZUHSJROY-KCITZHQASA-N 2 2 302.462 3.054 10 0 DGAELP c1cn(CCCC2CC[NH+](CC[C@H]3CCCCO3)CC2)c[nH+]1 ZINC000347620038 264253428 /nfs/dbraw/zinc/25/34/28/264253428.db2.gz XSAIGVSCUZWBJB-GOSISDBHSA-N 2 2 305.466 3.335 10 0 DGAELP O=C(C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000182968787 432247722 /nfs/dbraw/zinc/24/77/22/432247722.db2.gz FSRMRIFMGGDREI-QGZVFWFLSA-N 2 2 315.392 3.150 10 0 DGAELP O=C(C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000182968787 432247724 /nfs/dbraw/zinc/24/77/24/432247724.db2.gz FSRMRIFMGGDREI-QGZVFWFLSA-N 2 2 315.392 3.150 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000151514528 432252594 /nfs/dbraw/zinc/25/25/94/432252594.db2.gz KOFBCIBGVMRJFH-LBPRGKRZSA-N 2 2 314.339 3.396 10 0 DGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2n1 ZINC000247949314 432255146 /nfs/dbraw/zinc/25/51/46/432255146.db2.gz DWPJWCGFBWUBBT-OXJNMPFZSA-N 2 2 309.457 3.459 10 0 DGAELP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc2n1 ZINC000247949314 432255148 /nfs/dbraw/zinc/25/51/48/432255148.db2.gz DWPJWCGFBWUBBT-OXJNMPFZSA-N 2 2 309.457 3.459 10 0 DGAELP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000247949314 432255151 /nfs/dbraw/zinc/25/51/51/432255151.db2.gz DWPJWCGFBWUBBT-OXJNMPFZSA-N 2 2 309.457 3.459 10 0 DGAELP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc2n1 ZINC000247949314 432255153 /nfs/dbraw/zinc/25/51/53/432255153.db2.gz DWPJWCGFBWUBBT-OXJNMPFZSA-N 2 2 309.457 3.459 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000471824813 274065733 /nfs/dbraw/zinc/06/57/33/274065733.db2.gz UPGZMWXNUKBWGH-QXCFHYIPSA-N 2 2 302.462 3.054 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000471824813 274065734 /nfs/dbraw/zinc/06/57/34/274065734.db2.gz UPGZMWXNUKBWGH-QXCFHYIPSA-N 2 2 302.462 3.054 10 0 DGAELP c1cn(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)c[nH+]1 ZINC000126466176 275072559 /nfs/dbraw/zinc/07/25/59/275072559.db2.gz RVNJCNZLLQJPMD-SFHVURJKSA-N 2 2 311.429 3.265 10 0 DGAELP c1[nH+]cn2c1c(NC1CC([NH+]3CCCCC3)C1)nc1ccccc12 ZINC000624177461 429931091 /nfs/dbraw/zinc/93/10/91/429931091.db2.gz ILCNDSIZNKPVNJ-UHFFFAOYSA-N 2 2 321.428 3.311 10 0 DGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111527 277073646 /nfs/dbraw/zinc/07/36/46/277073646.db2.gz BZVGYPHXBFKSEL-IIAWOOMASA-N 2 2 316.474 3.062 10 0 DGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111527 277073648 /nfs/dbraw/zinc/07/36/48/277073648.db2.gz BZVGYPHXBFKSEL-IIAWOOMASA-N 2 2 316.474 3.062 10 0 DGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1N(C)C ZINC000093942428 278336169 /nfs/dbraw/zinc/33/61/69/278336169.db2.gz BEMSBIWFTQNECG-MRXNPFEDSA-N 2 2 324.472 3.467 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCCC[C@H]3c3cn[nH]c3)cc2)c[nH+]1 ZINC000114483865 431390271 /nfs/dbraw/zinc/39/02/71/431390271.db2.gz DAGYBOOZINEDLR-SFHVURJKSA-N 2 2 307.401 3.323 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3c3cn[nH]c3)cc2)c[nH+]1 ZINC000114483865 431390276 /nfs/dbraw/zinc/39/02/76/431390276.db2.gz DAGYBOOZINEDLR-SFHVURJKSA-N 2 2 307.401 3.323 10 0 DGAELP C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842148 431621353 /nfs/dbraw/zinc/62/13/53/431621353.db2.gz TYLPSCVGEIAAKD-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842148 431621358 /nfs/dbraw/zinc/62/13/58/431621358.db2.gz TYLPSCVGEIAAKD-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842148 431621359 /nfs/dbraw/zinc/62/13/59/431621359.db2.gz TYLPSCVGEIAAKD-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842148 431621364 /nfs/dbraw/zinc/62/13/64/431621364.db2.gz TYLPSCVGEIAAKD-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088612 431855430 /nfs/dbraw/zinc/85/54/30/431855430.db2.gz QKVWDGREKYTPSA-OLZOCXBDSA-N 2 2 300.393 3.149 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123422632 431864951 /nfs/dbraw/zinc/86/49/51/431864951.db2.gz OLVVRFAVMLMHCU-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123422632 431864953 /nfs/dbraw/zinc/86/49/53/431864953.db2.gz OLVVRFAVMLMHCU-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123422632 431864955 /nfs/dbraw/zinc/86/49/55/431864955.db2.gz OLVVRFAVMLMHCU-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123422632 431864957 /nfs/dbraw/zinc/86/49/57/431864957.db2.gz OLVVRFAVMLMHCU-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000090003712 431888864 /nfs/dbraw/zinc/88/88/64/431888864.db2.gz WWTAJPFXEGSSKW-INIZCTEOSA-N 2 2 320.440 3.423 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000090003712 431888867 /nfs/dbraw/zinc/88/88/67/431888867.db2.gz WWTAJPFXEGSSKW-INIZCTEOSA-N 2 2 320.440 3.423 10 0 DGAELP COc1ccccc1/C=C/C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127737761 431979145 /nfs/dbraw/zinc/97/91/45/431979145.db2.gz SVARDXFMOBXXJC-SOFGYWHQSA-N 2 2 300.446 3.269 10 0 DGAELP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732316 432271073 /nfs/dbraw/zinc/27/10/73/432271073.db2.gz IYZHLIBTAFTNRF-CQSZACIVSA-N 2 2 305.397 3.273 10 0 DGAELP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732316 432271076 /nfs/dbraw/zinc/27/10/76/432271076.db2.gz IYZHLIBTAFTNRF-CQSZACIVSA-N 2 2 305.397 3.273 10 0 DGAELP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732316 432271082 /nfs/dbraw/zinc/27/10/82/432271082.db2.gz IYZHLIBTAFTNRF-CQSZACIVSA-N 2 2 305.397 3.273 10 0 DGAELP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1nc2cc(F)ccc2o1 ZINC000151732316 432271086 /nfs/dbraw/zinc/27/10/86/432271086.db2.gz IYZHLIBTAFTNRF-CQSZACIVSA-N 2 2 305.397 3.273 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173380036 432275405 /nfs/dbraw/zinc/27/54/05/432275405.db2.gz DLPATZYHEVAJMG-ZBFHGGJFSA-N 2 2 308.491 3.170 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173380036 432275412 /nfs/dbraw/zinc/27/54/12/432275412.db2.gz DLPATZYHEVAJMG-ZBFHGGJFSA-N 2 2 308.491 3.170 10 0 DGAELP C[NH+](C)CCOc1cc(CNc2ccc3ccccc3[nH+]2)ccn1 ZINC000270728444 432282894 /nfs/dbraw/zinc/28/28/94/432282894.db2.gz QKZFHIRYVFGVOY-UHFFFAOYSA-N 2 2 322.412 3.182 10 0 DGAELP CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183158233 432263195 /nfs/dbraw/zinc/26/31/95/432263195.db2.gz LRRGCCKWTLKFTQ-CXAGYDPISA-N 2 2 315.417 3.173 10 0 DGAELP Cc1c[nH+]ccc1NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000191980771 432319672 /nfs/dbraw/zinc/31/96/72/432319672.db2.gz FGBORRVSGOQFSX-GDBMZVCRSA-N 2 2 317.458 3.325 10 0 DGAELP Cc1c[nH+]ccc1NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000191980771 432319675 /nfs/dbraw/zinc/31/96/75/432319675.db2.gz FGBORRVSGOQFSX-GDBMZVCRSA-N 2 2 317.458 3.325 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2ccc(Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000248913446 432329157 /nfs/dbraw/zinc/32/91/57/432329157.db2.gz YUSLZNDFZSYUHZ-DGCLKSJQSA-N 2 2 324.222 3.322 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2ccc(Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000248913446 432329161 /nfs/dbraw/zinc/32/91/61/432329161.db2.gz YUSLZNDFZSYUHZ-DGCLKSJQSA-N 2 2 324.222 3.322 10 0 DGAELP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249879227 432359066 /nfs/dbraw/zinc/35/90/66/432359066.db2.gz MTMMTOLFRCFZSX-KBPBESRZSA-N 2 2 315.421 3.083 10 0 DGAELP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000249879227 432359070 /nfs/dbraw/zinc/35/90/70/432359070.db2.gz MTMMTOLFRCFZSX-KBPBESRZSA-N 2 2 315.421 3.083 10 0 DGAELP Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000192774792 432413499 /nfs/dbraw/zinc/41/34/99/432413499.db2.gz PCTPTMMUTALUSQ-KGLIPLIRSA-N 2 2 323.400 3.088 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000262118961 432475650 /nfs/dbraw/zinc/47/56/50/432475650.db2.gz LQSUDLWMCSWGHA-PSASIEDQSA-N 2 2 307.385 3.030 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000262118961 432475654 /nfs/dbraw/zinc/47/56/54/432475654.db2.gz LQSUDLWMCSWGHA-PSASIEDQSA-N 2 2 307.385 3.030 10 0 DGAELP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616042 432484732 /nfs/dbraw/zinc/48/47/32/432484732.db2.gz WNZUEQFHGDOICY-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616042 432484735 /nfs/dbraw/zinc/48/47/35/432484735.db2.gz WNZUEQFHGDOICY-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@H](c1ccc(Br)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193616042 432484738 /nfs/dbraw/zinc/48/47/38/432484738.db2.gz WNZUEQFHGDOICY-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@H](c1ccc(Br)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193616042 432484741 /nfs/dbraw/zinc/48/47/41/432484741.db2.gz WNZUEQFHGDOICY-BNOWGMLFSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185674300 432522467 /nfs/dbraw/zinc/52/24/67/432522467.db2.gz DKASHCIDYHHQOB-AUUYWEPGSA-N 2 2 308.429 3.344 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545264 432605730 /nfs/dbraw/zinc/60/57/30/432605730.db2.gz QTHROPXOQYOHKN-WBVHZDCISA-N 2 2 311.473 3.244 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545264 432605736 /nfs/dbraw/zinc/60/57/36/432605736.db2.gz QTHROPXOQYOHKN-WBVHZDCISA-N 2 2 311.473 3.244 10 0 DGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc2ccccc21 ZINC000177357643 432615252 /nfs/dbraw/zinc/61/52/52/432615252.db2.gz LPQITOQCYGDMPV-DLBZAZTESA-N 2 2 312.457 3.459 10 0 DGAELP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000177057984 432580287 /nfs/dbraw/zinc/58/02/87/432580287.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000177057984 432580289 /nfs/dbraw/zinc/58/02/89/432580289.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000177057984 432580290 /nfs/dbraw/zinc/58/02/90/432580290.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000177057984 432580293 /nfs/dbraw/zinc/58/02/93/432580293.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP COc1cccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000177208904 432597642 /nfs/dbraw/zinc/59/76/42/432597642.db2.gz MGGGZSWLAHLKMW-AWEZNQCLSA-N 2 2 308.385 3.127 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000178305713 432719170 /nfs/dbraw/zinc/71/91/70/432719170.db2.gz SYVRUWOOKSLQSX-OAHLLOKOSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000178305713 432719179 /nfs/dbraw/zinc/71/91/79/432719179.db2.gz SYVRUWOOKSLQSX-OAHLLOKOSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000178334851 432722136 /nfs/dbraw/zinc/72/21/36/432722136.db2.gz JJFYYRMXUBNOIJ-OAHLLOKOSA-N 2 2 304.463 3.436 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000178334851 432722139 /nfs/dbraw/zinc/72/21/39/432722139.db2.gz JJFYYRMXUBNOIJ-OAHLLOKOSA-N 2 2 304.463 3.436 10 0 DGAELP Cc1cccn2c(C[NH2+]C[C@H]3CCO[C@@H]3C(C)(C)C)c[nH+]c12 ZINC000189239483 432772623 /nfs/dbraw/zinc/77/26/23/432772623.db2.gz PUNJODOKMVJIHJ-ZBFHGGJFSA-N 2 2 301.434 3.184 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000178752233 432773191 /nfs/dbraw/zinc/77/31/91/432773191.db2.gz SIRHCLYHOKADHC-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000178752233 432773194 /nfs/dbraw/zinc/77/31/94/432773194.db2.gz SIRHCLYHOKADHC-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752233 432773196 /nfs/dbraw/zinc/77/31/96/432773196.db2.gz SIRHCLYHOKADHC-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752233 432773199 /nfs/dbraw/zinc/77/31/99/432773199.db2.gz SIRHCLYHOKADHC-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860147 /nfs/dbraw/zinc/86/01/47/432860147.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860150 /nfs/dbraw/zinc/86/01/50/432860150.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860153 /nfs/dbraw/zinc/86/01/53/432860153.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860155 /nfs/dbraw/zinc/86/01/55/432860155.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860158 /nfs/dbraw/zinc/86/01/58/432860158.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1-c1ccccc1 ZINC000245741663 432860159 /nfs/dbraw/zinc/86/01/59/432860159.db2.gz LXVFFFXXDBSYTF-MAUKXSAKSA-N 2 2 312.461 3.095 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774603 432861717 /nfs/dbraw/zinc/86/17/17/432861717.db2.gz SLCWTSABVQNVKF-NHYWBVRUSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774603 432861720 /nfs/dbraw/zinc/86/17/20/432861720.db2.gz SLCWTSABVQNVKF-NHYWBVRUSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774603 432861721 /nfs/dbraw/zinc/86/17/21/432861721.db2.gz SLCWTSABVQNVKF-NHYWBVRUSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774603 432861724 /nfs/dbraw/zinc/86/17/24/432861724.db2.gz SLCWTSABVQNVKF-NHYWBVRUSA-N 2 2 300.368 3.266 10 0 DGAELP C[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1n1cc[nH+]c1 ZINC000245577148 432846086 /nfs/dbraw/zinc/84/60/86/432846086.db2.gz HYZJIMOOIVFWCV-DZGCQCFKSA-N 2 2 312.373 3.214 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1n1cc[nH+]c1 ZINC000245577148 432846090 /nfs/dbraw/zinc/84/60/90/432846090.db2.gz HYZJIMOOIVFWCV-DZGCQCFKSA-N 2 2 312.373 3.214 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C[C@H]1n1cc[nH+]c1 ZINC000245577150 432846932 /nfs/dbraw/zinc/84/69/32/432846932.db2.gz HYZJIMOOIVFWCV-UKRRQHHQSA-N 2 2 312.373 3.214 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C[C@H]1n1cc[nH+]c1 ZINC000245577150 432846934 /nfs/dbraw/zinc/84/69/34/432846934.db2.gz HYZJIMOOIVFWCV-UKRRQHHQSA-N 2 2 312.373 3.214 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620162 432850748 /nfs/dbraw/zinc/85/07/48/432850748.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620162 432850750 /nfs/dbraw/zinc/85/07/50/432850750.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000245620162 432850751 /nfs/dbraw/zinc/85/07/51/432850751.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000245620162 432850753 /nfs/dbraw/zinc/85/07/53/432850753.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 2 2 321.896 3.158 10 0 DGAELP CCC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[NH+](C)C ZINC000156923194 292737214 /nfs/dbraw/zinc/73/72/14/292737214.db2.gz LZIDHMFNTMJTGQ-HNNXBMFYSA-N 2 2 320.824 3.195 10 0 DGAELP CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000447177723 433170202 /nfs/dbraw/zinc/17/02/02/433170202.db2.gz WMJQPGDHPWDCAG-UHFFFAOYSA-N 2 2 318.465 3.284 10 0 DGAELP CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336713844 433187933 /nfs/dbraw/zinc/18/79/33/433187933.db2.gz NURPQLNRIBTTMR-LPHOPBHVSA-N 2 2 312.461 3.046 10 0 DGAELP CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336713844 433187941 /nfs/dbraw/zinc/18/79/41/433187941.db2.gz NURPQLNRIBTTMR-LPHOPBHVSA-N 2 2 312.461 3.046 10 0 DGAELP Fc1cc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000361839758 433413967 /nfs/dbraw/zinc/41/39/67/433413967.db2.gz LOGAXABHMXMWBT-UHFFFAOYSA-N 2 2 323.799 3.461 10 0 DGAELP c1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000281977220 433452543 /nfs/dbraw/zinc/45/25/43/433452543.db2.gz HHQFYUXODZFHIV-CYBMUJFWSA-N 2 2 302.447 3.056 10 0 DGAELP c1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000281977220 433452558 /nfs/dbraw/zinc/45/25/58/433452558.db2.gz HHQFYUXODZFHIV-CYBMUJFWSA-N 2 2 302.447 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ncc[nH]1 ZINC000375839914 433588413 /nfs/dbraw/zinc/58/84/13/433588413.db2.gz NVHSLNUFJGGQIH-YDHLFZDLSA-N 2 2 304.463 3.205 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ncc[nH]1 ZINC000375839914 433588424 /nfs/dbraw/zinc/58/84/24/433588424.db2.gz NVHSLNUFJGGQIH-YDHLFZDLSA-N 2 2 304.463 3.205 10 0 DGAELP Cc1cc[nH+]c(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000301650371 433657371 /nfs/dbraw/zinc/65/73/71/433657371.db2.gz RUGVTKSLYCXGRC-GJZGRUSLSA-N 2 2 312.417 3.011 10 0 DGAELP c1[nH]c(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000374210788 293366463 /nfs/dbraw/zinc/36/64/63/293366463.db2.gz WJIIXNHHNFMVAV-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)[nH+]1 ZINC000374210788 293366465 /nfs/dbraw/zinc/36/64/65/293366465.db2.gz WJIIXNHHNFMVAV-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356908454 433759928 /nfs/dbraw/zinc/75/99/28/433759928.db2.gz XTTHPAFQSHMIIZ-ROUUACIJSA-N 2 2 308.510 3.434 10 0 DGAELP c1ccc(OC2CCCC2)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422561969 433919600 /nfs/dbraw/zinc/91/96/00/433919600.db2.gz OOHOATJNVVGLNO-UHFFFAOYSA-N 2 2 300.446 3.336 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000377415529 433879690 /nfs/dbraw/zinc/87/96/90/433879690.db2.gz YODKIEPXRXXUEX-RDJZCZTQSA-N 2 2 323.440 3.259 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415529 433879697 /nfs/dbraw/zinc/87/96/97/433879697.db2.gz YODKIEPXRXXUEX-RDJZCZTQSA-N 2 2 323.440 3.259 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)C2 ZINC000377798361 434001813 /nfs/dbraw/zinc/00/18/13/434001813.db2.gz HOADOSIIUVVINM-BEFAXECRSA-N 2 2 304.397 3.041 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798361 434001818 /nfs/dbraw/zinc/00/18/18/434001818.db2.gz HOADOSIIUVVINM-BEFAXECRSA-N 2 2 304.397 3.041 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)C[C@@]1(C)C[NH3+] ZINC000311211068 434111539 /nfs/dbraw/zinc/11/15/39/434111539.db2.gz PECUTJBZDHSHJE-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)C[C@@]1(C)C[NH3+] ZINC000311211068 434111549 /nfs/dbraw/zinc/11/15/49/434111549.db2.gz PECUTJBZDHSHJE-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3cc(Br)ccc32)c1 ZINC000313265465 434125406 /nfs/dbraw/zinc/12/54/06/434125406.db2.gz PAUKBQZMTBIPIU-HNNXBMFYSA-N 2 2 320.234 3.002 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)CC1CCCC1 ZINC000511033866 294399732 /nfs/dbraw/zinc/39/97/32/294399732.db2.gz BGIIJLNFLCIPQF-UXPWSPDFSA-N 2 2 316.489 3.038 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)CC1CCCC1 ZINC000511033866 294399735 /nfs/dbraw/zinc/39/97/35/294399735.db2.gz BGIIJLNFLCIPQF-UXPWSPDFSA-N 2 2 316.489 3.038 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422991915 434151532 /nfs/dbraw/zinc/15/15/32/434151532.db2.gz QLGDHXQXJGSGCY-OKZBNKHCSA-N 2 2 302.466 3.009 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422994167 434158168 /nfs/dbraw/zinc/15/81/68/434158168.db2.gz USPBVSJTFYNJPH-GUDVDZBRSA-N 2 2 316.493 3.399 10 0 DGAELP c1cn(-c2csc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2)cn1 ZINC000346210475 434203232 /nfs/dbraw/zinc/20/32/32/434203232.db2.gz OWEYKHSEFKQKTR-UHFFFAOYSA-N 3 2 313.430 3.037 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)[nH]1 ZINC000346210475 434203239 /nfs/dbraw/zinc/20/32/39/434203239.db2.gz OWEYKHSEFKQKTR-UHFFFAOYSA-N 3 2 313.430 3.037 10 0 DGAELP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000450475985 434210953 /nfs/dbraw/zinc/21/09/53/434210953.db2.gz LZTMISQBHOHPMO-UHFFFAOYSA-N 2 2 305.809 3.451 10 0 DGAELP C[NH+](C)C1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106944 434213636 /nfs/dbraw/zinc/21/36/36/434213636.db2.gz JIFBLNGOYXVMGN-AEFFLSMTSA-N 2 2 302.462 3.228 10 0 DGAELP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000379647187 434257133 /nfs/dbraw/zinc/25/71/33/434257133.db2.gz KDWAFSKEZFCTBU-MOPGFXCFSA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000379647187 434257136 /nfs/dbraw/zinc/25/71/36/434257136.db2.gz KDWAFSKEZFCTBU-MOPGFXCFSA-N 2 2 304.478 3.302 10 0 DGAELP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnns2)CC1 ZINC000450494389 434226277 /nfs/dbraw/zinc/22/62/77/434226277.db2.gz LKHVKDHYFBOMDM-AWEZNQCLSA-N 2 2 308.495 3.015 10 0 DGAELP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnns2)CC1 ZINC000450494389 434226285 /nfs/dbraw/zinc/22/62/85/434226285.db2.gz LKHVKDHYFBOMDM-AWEZNQCLSA-N 2 2 308.495 3.015 10 0 DGAELP C[C@H](c1ccc(Br)s1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383442396 434287066 /nfs/dbraw/zinc/28/70/66/434287066.db2.gz HCEPIRQWNGORPD-GIPNMCIBSA-N 2 2 317.296 3.488 10 0 DGAELP C[C@H](c1ccc(Br)s1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383442396 434287074 /nfs/dbraw/zinc/28/70/74/434287074.db2.gz HCEPIRQWNGORPD-GIPNMCIBSA-N 2 2 317.296 3.488 10 0 DGAELP CC(C)C1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390578999 434363121 /nfs/dbraw/zinc/36/31/21/434363121.db2.gz PUTDOUGBYXUHQJ-MHJFOBGBSA-N 2 2 316.489 3.302 10 0 DGAELP CC(C)C1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390578999 434363133 /nfs/dbraw/zinc/36/31/33/434363133.db2.gz PUTDOUGBYXUHQJ-MHJFOBGBSA-N 2 2 316.489 3.302 10 0 DGAELP C[C@@H](C[NH2+]Cc1ccsc1Br)C[NH+]1CCCC1 ZINC000388847685 434341790 /nfs/dbraw/zinc/34/17/90/434341790.db2.gz ZYLXEOCONYWWAC-NSHDSACASA-N 2 2 317.296 3.332 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000389222003 434345461 /nfs/dbraw/zinc/34/54/61/434345461.db2.gz FTRKEBZMCLDXDL-GXSJLCMTSA-N 2 2 315.280 3.182 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000389222003 434345474 /nfs/dbraw/zinc/34/54/74/434345474.db2.gz FTRKEBZMCLDXDL-GXSJLCMTSA-N 2 2 315.280 3.182 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000389222007 434348935 /nfs/dbraw/zinc/34/89/35/434348935.db2.gz FTRKEBZMCLDXDL-MWLCHTKSSA-N 2 2 315.280 3.182 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000389222007 434348943 /nfs/dbraw/zinc/34/89/43/434348943.db2.gz FTRKEBZMCLDXDL-MWLCHTKSSA-N 2 2 315.280 3.182 10 0 DGAELP CC[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000397918709 434445568 /nfs/dbraw/zinc/44/55/68/434445568.db2.gz MFPCIMWNIYBGGV-HSALFYBXSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000397918709 434445580 /nfs/dbraw/zinc/44/55/80/434445580.db2.gz MFPCIMWNIYBGGV-HSALFYBXSA-N 2 2 316.489 3.446 10 0 DGAELP Cc1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc(C2CC2)[nH+]1 ZINC000329764275 434476542 /nfs/dbraw/zinc/47/65/42/434476542.db2.gz VNSZNCRFAXUFDQ-IYBDPMFKSA-N 2 2 323.444 3.893 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@H]1CCOC1 ZINC000400666695 434488986 /nfs/dbraw/zinc/48/89/86/434488986.db2.gz YCDMRTQCIOCGRF-SFHVURJKSA-N 2 2 304.478 3.303 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@H]1CCOC1 ZINC000400666695 434488994 /nfs/dbraw/zinc/48/89/94/434488994.db2.gz YCDMRTQCIOCGRF-SFHVURJKSA-N 2 2 304.478 3.303 10 0 DGAELP C[C@@]1(C[NH2+]CC[C@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000400602638 434490355 /nfs/dbraw/zinc/49/03/55/434490355.db2.gz DPUCHMQHCHZYBN-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@]1(C[NH2+]CC[C@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000400602638 434490365 /nfs/dbraw/zinc/49/03/65/434490365.db2.gz DPUCHMQHCHZYBN-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@]1(C[NH2+][C@@H]2CCCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397973102 434449138 /nfs/dbraw/zinc/44/91/38/434449138.db2.gz CGGLCGSCLMFIEI-MOPGFXCFSA-N 2 2 302.462 3.200 10 0 DGAELP C[C@@]1(C[NH2+][C@@H]2CCCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000397973102 434449145 /nfs/dbraw/zinc/44/91/45/434449145.db2.gz CGGLCGSCLMFIEI-MOPGFXCFSA-N 2 2 302.462 3.200 10 0 DGAELP CCOC1CC([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397983951 434452271 /nfs/dbraw/zinc/45/22/71/434452271.db2.gz HZTHTIIWZXVJOV-ACBHZAAOSA-N 2 2 302.462 3.198 10 0 DGAELP CCOC1CC([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397983951 434452277 /nfs/dbraw/zinc/45/22/77/434452277.db2.gz HZTHTIIWZXVJOV-ACBHZAAOSA-N 2 2 302.462 3.198 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004254 295164821 /nfs/dbraw/zinc/16/48/21/295164821.db2.gz WHLAMUBYSXMRLR-ZBFHGGJFSA-N 2 2 309.457 3.242 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004254 295164822 /nfs/dbraw/zinc/16/48/22/295164822.db2.gz WHLAMUBYSXMRLR-ZBFHGGJFSA-N 2 2 309.457 3.242 10 0 DGAELP c1cn(-c2csc(C[N@H+](Cc3cccnc3)C3CC3)c2)c[nH+]1 ZINC000349245307 434649398 /nfs/dbraw/zinc/64/93/98/434649398.db2.gz PKBJFQARJOBGDW-UHFFFAOYSA-N 2 2 310.426 3.493 10 0 DGAELP c1cn(-c2csc(C[N@@H+](Cc3cccnc3)C3CC3)c2)c[nH+]1 ZINC000349245307 434649404 /nfs/dbraw/zinc/64/94/04/434649404.db2.gz PKBJFQARJOBGDW-UHFFFAOYSA-N 2 2 310.426 3.493 10 0 DGAELP c1cn(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000535087449 435318199 /nfs/dbraw/zinc/31/81/99/435318199.db2.gz HEHRAGJUJUVRCS-IEBWSBKVSA-N 2 2 313.445 3.421 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000514834023 435440539 /nfs/dbraw/zinc/44/05/39/435440539.db2.gz WXYWSXANKXZLEH-VQIMIIECSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000514834023 435440545 /nfs/dbraw/zinc/44/05/45/435440545.db2.gz WXYWSXANKXZLEH-VQIMIIECSA-N 2 2 302.462 3.056 10 0 DGAELP c1ccc(COc2ccccc2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000517959578 435620327 /nfs/dbraw/zinc/62/03/27/435620327.db2.gz DPPQROSPDGFOJM-UHFFFAOYSA-N 2 2 310.441 3.451 10 0 DGAELP c1[nH+]c2n(c1C[NH2+]C1CC(OCc3ccccc3)C1)CCCC2 ZINC000560268090 314909831 /nfs/dbraw/zinc/90/98/31/314909831.db2.gz JOYCDOGFUINBTP-UHFFFAOYSA-N 2 2 311.429 3.057 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694541 323392660 /nfs/dbraw/zinc/39/26/60/323392660.db2.gz SZFVLKJMABNMKG-JKSUJKDBSA-N 2 2 304.482 3.207 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185694541 323392666 /nfs/dbraw/zinc/39/26/66/323392666.db2.gz SZFVLKJMABNMKG-JKSUJKDBSA-N 2 2 304.482 3.207 10 0 DGAELP CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456216 523822014 /nfs/dbraw/zinc/82/20/14/523822014.db2.gz LTPMRMOXHOLRAQ-ZDUSSCGKSA-N 2 2 314.408 3.257 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178562444 546131090 /nfs/dbraw/zinc/13/10/90/546131090.db2.gz JHVRNMIICKLCDM-CZUORRHYSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178562444 546131094 /nfs/dbraw/zinc/13/10/94/546131094.db2.gz JHVRNMIICKLCDM-CZUORRHYSA-N 2 2 324.465 3.063 10 0 DGAELP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000179816161 546138628 /nfs/dbraw/zinc/13/86/28/546138628.db2.gz DOQGXWKPPWFJNI-HNNXBMFYSA-N 2 2 312.417 3.032 10 0 DGAELP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000179816161 546138631 /nfs/dbraw/zinc/13/86/31/546138631.db2.gz DOQGXWKPPWFJNI-HNNXBMFYSA-N 2 2 312.417 3.032 10 0 DGAELP CC[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251574006 546329932 /nfs/dbraw/zinc/32/99/32/546329932.db2.gz BZKUBSFLLSUNSU-SMDDNHRTSA-N 2 2 317.260 3.431 10 0 DGAELP CC[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251574006 546329935 /nfs/dbraw/zinc/32/99/35/546329935.db2.gz BZKUBSFLLSUNSU-SMDDNHRTSA-N 2 2 317.260 3.431 10 0 DGAELP Clc1c[nH+]ccc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299752602 563516085 /nfs/dbraw/zinc/51/60/85/563516085.db2.gz USNIIZAFFOOLKD-GFCCVEGCSA-N 2 2 302.809 3.262 10 0 DGAELP C[C@H]([NH2+]Cc1nccn1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747251 660962282 /nfs/dbraw/zinc/96/22/82/660962282.db2.gz RNRDYWCUZQZEMJ-FUHWJXTLSA-N 2 2 324.472 3.218 10 0 DGAELP C[C@H]([NH2+]Cc1nccn1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711747251 660962283 /nfs/dbraw/zinc/96/22/83/660962283.db2.gz RNRDYWCUZQZEMJ-FUHWJXTLSA-N 2 2 324.472 3.218 10 0 DGAELP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720878815 658155154 /nfs/dbraw/zinc/15/51/54/658155154.db2.gz UOVJVOWWAFOWKE-AAEUAGOBSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720878815 658155157 /nfs/dbraw/zinc/15/51/57/658155157.db2.gz UOVJVOWWAFOWKE-AAEUAGOBSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H]2CCC=CO2)CCC[N@@H+]1Cc1ccccc1 ZINC000249041528 662363268 /nfs/dbraw/zinc/36/32/68/662363268.db2.gz UWLCRAYGNVJIKX-MOPGFXCFSA-N 2 2 300.446 3.323 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H]2CCC=CO2)CCC[N@H+]1Cc1ccccc1 ZINC000249041528 662363270 /nfs/dbraw/zinc/36/32/70/662363270.db2.gz UWLCRAYGNVJIKX-MOPGFXCFSA-N 2 2 300.446 3.323 10 0 DGAELP CCc1cc(NCc2[nH+]ccn2Cc2ccccc2)nc(C)[nH+]1 ZINC000302081118 529558898 /nfs/dbraw/zinc/55/88/98/529558898.db2.gz JAPJZIPKNNSTMB-UHFFFAOYSA-N 2 2 307.401 3.204 10 0 DGAELP CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812388 185343534 /nfs/dbraw/zinc/34/35/34/185343534.db2.gz LHSCIYAMPNERRE-KRWDZBQOSA-N 2 2 311.429 3.414 10 0 DGAELP CCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812388 185343535 /nfs/dbraw/zinc/34/35/35/185343535.db2.gz LHSCIYAMPNERRE-KRWDZBQOSA-N 2 2 311.429 3.414 10 0 DGAELP Cc1ccc(-c2nc(N3CCC(C[NH3+])CC3)c(C)c(C)[nH+]2)cc1 ZINC000070456092 190896687 /nfs/dbraw/zinc/89/66/87/190896687.db2.gz AWAAWEHHADISMY-UHFFFAOYSA-N 2 2 310.445 3.244 10 0 DGAELP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915795 200469437 /nfs/dbraw/zinc/46/94/37/200469437.db2.gz LUHGARSGVSARET-KPOBHBOGSA-N 2 2 319.408 3.181 10 0 DGAELP c1[nH+]c(C2CCN(c3cc[nH+]c(C4CC4)n3)CC2)n2c1CCCC2 ZINC000432929747 238141343 /nfs/dbraw/zinc/14/13/43/238141343.db2.gz SRNZHWAQAIJOKO-UHFFFAOYSA-N 2 2 323.444 3.271 10 0 DGAELP c1cc(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)o2)n[nH]1 ZINC000435131121 238277010 /nfs/dbraw/zinc/27/70/10/238277010.db2.gz XZSMPBYONOTRDO-UHFFFAOYSA-N 2 2 314.433 3.120 10 0 DGAELP C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661172 432095290 /nfs/dbraw/zinc/09/52/90/432095290.db2.gz QPACIIDBRFMELD-HNNXBMFYSA-N 2 2 320.396 3.162 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(Br)cs1 ZINC000193995029 201158517 /nfs/dbraw/zinc/15/85/17/201158517.db2.gz VYSIGVRMXZZVHG-ONGXEEELSA-N 2 2 303.269 3.255 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(Br)cs1 ZINC000193995029 201158520 /nfs/dbraw/zinc/15/85/20/201158520.db2.gz VYSIGVRMXZZVHG-ONGXEEELSA-N 2 2 303.269 3.255 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccnc3Cl)C2)[nH+]1 ZINC000171081753 432101691 /nfs/dbraw/zinc/10/16/91/432101691.db2.gz GOGNXADITZDKLH-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccnc3Cl)C2)[nH+]1 ZINC000171081753 432101695 /nfs/dbraw/zinc/10/16/95/432101695.db2.gz GOGNXADITZDKLH-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP CCCOc1c(C[NH+]2CCC([NH+](C)C)CC2)cccc1OCC ZINC000091670488 193088986 /nfs/dbraw/zinc/08/89/86/193088986.db2.gz DKPYCLJWOKQFBG-UHFFFAOYSA-N 2 2 320.477 3.400 10 0 DGAELP C[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246221479 432109365 /nfs/dbraw/zinc/10/93/65/432109365.db2.gz DNXHWTQUKRTMIT-GOEBONIOSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C[C@H]1n1cc[nH+]c1 ZINC000246221479 432109369 /nfs/dbraw/zinc/10/93/69/432109369.db2.gz DNXHWTQUKRTMIT-GOEBONIOSA-N 2 2 323.400 3.016 10 0 DGAELP Cc1cccc(CCC[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000181005831 432110332 /nfs/dbraw/zinc/11/03/32/432110332.db2.gz UKPQCXGKFGYQOC-GOSISDBHSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1cccc(CCC[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000181005831 432110328 /nfs/dbraw/zinc/11/03/28/432110328.db2.gz UKPQCXGKFGYQOC-GOSISDBHSA-N 2 2 316.489 3.113 10 0 DGAELP Clc1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000459348571 243344994 /nfs/dbraw/zinc/34/49/94/243344994.db2.gz YYDDXMBLBQHKBE-MRXNPFEDSA-N 2 2 324.900 3.125 10 0 DGAELP Clc1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000459348571 243344996 /nfs/dbraw/zinc/34/49/96/243344996.db2.gz YYDDXMBLBQHKBE-MRXNPFEDSA-N 2 2 324.900 3.125 10 0 DGAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)no1 ZINC000459426085 243365470 /nfs/dbraw/zinc/36/54/70/243365470.db2.gz ICHGUJBMCPIZNY-BBRMVZONSA-N 2 2 305.447 3.217 10 0 DGAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000459426085 243365471 /nfs/dbraw/zinc/36/54/71/243365471.db2.gz ICHGUJBMCPIZNY-BBRMVZONSA-N 2 2 305.447 3.217 10 0 DGAELP Cc1nc(N2CC[NH+](CCc3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000470313437 244164960 /nfs/dbraw/zinc/16/49/60/244164960.db2.gz LRMCKVMWJGLLJV-UHFFFAOYSA-N 2 2 324.472 3.273 10 0 DGAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093693980 193291256 /nfs/dbraw/zinc/29/12/56/193291256.db2.gz CMWIOENRWINRJW-MRXNPFEDSA-N 2 2 312.461 3.240 10 0 DGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093693980 193291258 /nfs/dbraw/zinc/29/12/58/193291258.db2.gz CMWIOENRWINRJW-MRXNPFEDSA-N 2 2 312.461 3.240 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000093644846 193281253 /nfs/dbraw/zinc/28/12/53/193281253.db2.gz UJXBHJVSEROJBL-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000093644846 193281254 /nfs/dbraw/zinc/28/12/54/193281254.db2.gz UJXBHJVSEROJBL-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644846 193281256 /nfs/dbraw/zinc/28/12/56/193281256.db2.gz UJXBHJVSEROJBL-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644846 193281258 /nfs/dbraw/zinc/28/12/58/193281258.db2.gz UJXBHJVSEROJBL-JSGCOSHPSA-N 2 2 316.367 3.500 10 0 DGAELP CCC[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[NH+](C)C ZINC000128315562 284371166 /nfs/dbraw/zinc/37/11/66/284371166.db2.gz QFPULKKUBDEWMZ-INIZCTEOSA-N 2 2 314.433 3.499 10 0 DGAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226335 182198969 /nfs/dbraw/zinc/19/89/69/182198969.db2.gz SGJHNMOLCIMECR-QGZVFWFLSA-N 2 2 314.429 3.226 10 0 DGAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226335 182198971 /nfs/dbraw/zinc/19/89/71/182198971.db2.gz SGJHNMOLCIMECR-QGZVFWFLSA-N 2 2 314.429 3.226 10 0 DGAELP C[N@H+](Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747022 183128829 /nfs/dbraw/zinc/12/88/29/183128829.db2.gz MFHIMRZSQCFAHR-ONXXMXGDSA-N 2 2 303.431 3.118 10 0 DGAELP C[N@@H+](Cc1cc(-c2cccs2)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747022 183128831 /nfs/dbraw/zinc/12/88/31/183128831.db2.gz MFHIMRZSQCFAHR-ONXXMXGDSA-N 2 2 303.431 3.118 10 0 DGAELP COc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)ccc1F ZINC000154158819 284715356 /nfs/dbraw/zinc/71/53/56/284715356.db2.gz BDODOHSHOOWQPL-ZDUSSCGKSA-N 2 2 303.381 3.382 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000106215468 194189336 /nfs/dbraw/zinc/18/93/36/194189336.db2.gz QCWBCZPPCDPULF-QGZVFWFLSA-N 2 2 313.445 3.334 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000106215468 194189338 /nfs/dbraw/zinc/18/93/38/194189338.db2.gz QCWBCZPPCDPULF-QGZVFWFLSA-N 2 2 313.445 3.334 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248651860 285014454 /nfs/dbraw/zinc/01/44/54/285014454.db2.gz NGVOBISLXHQZDT-JKSUJKDBSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2C=CCCC2)C1 ZINC000248651860 285014459 /nfs/dbraw/zinc/01/44/59/285014459.db2.gz NGVOBISLXHQZDT-JKSUJKDBSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000248651860 285014462 /nfs/dbraw/zinc/01/44/62/285014462.db2.gz NGVOBISLXHQZDT-JKSUJKDBSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000248651860 285014463 /nfs/dbraw/zinc/01/44/63/285014463.db2.gz NGVOBISLXHQZDT-JKSUJKDBSA-N 2 2 305.491 3.314 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[N@@H+]1Cc1ccccc1 ZINC000249193486 285062624 /nfs/dbraw/zinc/06/26/24/285062624.db2.gz AVVFBMIHOWGIEW-BPQIPLTHSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C[N@H+]1Cc1ccccc1 ZINC000249193486 285062630 /nfs/dbraw/zinc/06/26/30/285062630.db2.gz AVVFBMIHOWGIEW-BPQIPLTHSA-N 2 2 302.462 3.197 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384417 253102728 /nfs/dbraw/zinc/10/27/28/253102728.db2.gz KLZLDZXEMKSNFE-HUUCEWRRSA-N 2 2 305.491 3.152 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCSC3)C2)n2c1CCCC2 ZINC000337384417 253102731 /nfs/dbraw/zinc/10/27/31/253102731.db2.gz KLZLDZXEMKSNFE-HUUCEWRRSA-N 2 2 305.491 3.152 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000253149617 285106154 /nfs/dbraw/zinc/10/61/54/285106154.db2.gz DPRFBMULINHEHY-NXHRZFHOSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000253149617 285106155 /nfs/dbraw/zinc/10/61/55/285106155.db2.gz DPRFBMULINHEHY-NXHRZFHOSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253149615 285106191 /nfs/dbraw/zinc/10/61/91/285106191.db2.gz DPRFBMULINHEHY-BPQIPLTHSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253149615 285106192 /nfs/dbraw/zinc/10/61/92/285106192.db2.gz DPRFBMULINHEHY-BPQIPLTHSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@H](CCn1cccn1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000157923883 197227783 /nfs/dbraw/zinc/22/77/83/197227783.db2.gz DZIWNPVXZJOXFV-HZPDHXFCSA-N 2 2 309.417 3.198 10 0 DGAELP c1cn(-c2csc(C[NH+]3CCC4(CCOCC4)CC3)c2)c[nH+]1 ZINC000342845865 254064756 /nfs/dbraw/zinc/06/47/56/254064756.db2.gz YQVFYRUHAOJRJL-UHFFFAOYSA-N 2 2 317.458 3.326 10 0 DGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000120494985 195177260 /nfs/dbraw/zinc/17/72/60/195177260.db2.gz JOEVEEMGVCRCPZ-AWEZNQCLSA-N 2 2 323.387 3.486 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295016213 224380596 /nfs/dbraw/zinc/38/05/96/224380596.db2.gz MPWJZWQMZYQWLY-YLJYHZDGSA-N 2 2 309.457 3.043 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295016213 224380597 /nfs/dbraw/zinc/38/05/97/224380597.db2.gz MPWJZWQMZYQWLY-YLJYHZDGSA-N 2 2 309.457 3.043 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000295016211 224380946 /nfs/dbraw/zinc/38/09/46/224380946.db2.gz MPWJZWQMZYQWLY-XLIONFOSSA-N 2 2 309.457 3.043 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295016211 224380949 /nfs/dbraw/zinc/38/09/49/224380949.db2.gz MPWJZWQMZYQWLY-XLIONFOSSA-N 2 2 309.457 3.043 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616608271 400183696 /nfs/dbraw/zinc/18/36/96/400183696.db2.gz OHQJFPIOFKRIMP-MRXNPFEDSA-N 2 2 319.449 3.154 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616608271 400183702 /nfs/dbraw/zinc/18/37/02/400183702.db2.gz OHQJFPIOFKRIMP-MRXNPFEDSA-N 2 2 319.449 3.154 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616620834 400186297 /nfs/dbraw/zinc/18/62/97/400186297.db2.gz MGPSBUSEEJMRHV-HNNXBMFYSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616620834 400186302 /nfs/dbraw/zinc/18/63/02/400186302.db2.gz MGPSBUSEEJMRHV-HNNXBMFYSA-N 2 2 319.449 3.172 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2ccncc21 ZINC000616691736 400206761 /nfs/dbraw/zinc/20/67/61/400206761.db2.gz MCKJKWFASQCDKY-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc2ccncc21 ZINC000616691736 400206767 /nfs/dbraw/zinc/20/67/67/400206767.db2.gz MCKJKWFASQCDKY-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000399083621 400287682 /nfs/dbraw/zinc/28/76/82/400287682.db2.gz SYDOKCPOGJRJAH-LLVKDONJSA-N 2 2 317.260 3.101 10 0 DGAELP Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000068874807 400297107 /nfs/dbraw/zinc/29/71/07/400297107.db2.gz CKFDCDNCDFDGME-MRXNPFEDSA-N 2 2 313.449 3.235 10 0 DGAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000124500428 400476352 /nfs/dbraw/zinc/47/63/52/400476352.db2.gz KTNQZULVPOSALG-QWRGUYRKSA-N 2 2 303.233 3.184 10 0 DGAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000124500428 400476356 /nfs/dbraw/zinc/47/63/56/400476356.db2.gz KTNQZULVPOSALG-QWRGUYRKSA-N 2 2 303.233 3.184 10 0 DGAELP O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000603886281 400730138 /nfs/dbraw/zinc/73/01/38/400730138.db2.gz XXOYHYUPYWWCDM-UHFFFAOYSA-N 2 2 320.396 3.182 10 0 DGAELP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)no1 ZINC000634986990 401395877 /nfs/dbraw/zinc/39/58/77/401395877.db2.gz JPTXXPCOIJDLGS-KRWDZBQOSA-N 2 2 311.429 3.067 10 0 DGAELP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)no1 ZINC000634986990 401395879 /nfs/dbraw/zinc/39/58/79/401395879.db2.gz JPTXXPCOIJDLGS-KRWDZBQOSA-N 2 2 311.429 3.067 10 0 DGAELP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000631206421 401425795 /nfs/dbraw/zinc/42/57/95/401425795.db2.gz UNPQUEFYDIMGRK-FQEVSTJZSA-N 2 2 314.473 3.368 10 0 DGAELP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000631206421 401425799 /nfs/dbraw/zinc/42/57/99/401425799.db2.gz UNPQUEFYDIMGRK-FQEVSTJZSA-N 2 2 314.473 3.368 10 0 DGAELP c1ccc(N2CC[C@H]([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC000623614451 401556560 /nfs/dbraw/zinc/55/65/60/401556560.db2.gz HDOSCAURKGUZOW-FXAWDEMLSA-N 2 2 313.489 3.262 10 0 DGAELP c1ccc(N2CC[C@H]([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC000623614451 401556562 /nfs/dbraw/zinc/55/65/62/401556562.db2.gz HDOSCAURKGUZOW-FXAWDEMLSA-N 2 2 313.489 3.262 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702615 292382941 /nfs/dbraw/zinc/38/29/41/292382941.db2.gz ZSGFZNSUZIPNCK-HKUYNNGSSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702615 292382942 /nfs/dbraw/zinc/38/29/42/292382942.db2.gz ZSGFZNSUZIPNCK-HKUYNNGSSA-N 2 2 304.478 3.446 10 0 DGAELP c1ccc(CC2([NH2+]C3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC000186584665 165050638 /nfs/dbraw/zinc/05/06/38/165050638.db2.gz WYGMRSBSIYLVOT-UHFFFAOYSA-N 2 2 321.468 3.411 10 0 DGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000186879606 165063976 /nfs/dbraw/zinc/06/39/76/165063976.db2.gz CMSZYPKFNXXYPA-QZTJIDSGSA-N 2 2 304.503 3.382 10 0 DGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCCSC1)C1CC1 ZINC000186879606 165063980 /nfs/dbraw/zinc/06/39/80/165063980.db2.gz CMSZYPKFNXXYPA-QZTJIDSGSA-N 2 2 304.503 3.382 10 0 DGAELP CCCC[N@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192163068 165285344 /nfs/dbraw/zinc/28/53/44/165285344.db2.gz YPVZPFPAXSWJOI-UHFFFAOYSA-N 2 2 301.434 3.165 10 0 DGAELP CCCC[N@@H+](CCCO)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192163068 165285348 /nfs/dbraw/zinc/28/53/48/165285348.db2.gz YPVZPFPAXSWJOI-UHFFFAOYSA-N 2 2 301.434 3.165 10 0 DGAELP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1F ZINC000192948078 165312472 /nfs/dbraw/zinc/31/24/72/165312472.db2.gz JGYOWQRKQYCSFI-AWEZNQCLSA-N 2 2 315.392 3.163 10 0 DGAELP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1F ZINC000192948078 165312477 /nfs/dbraw/zinc/31/24/77/165312477.db2.gz JGYOWQRKQYCSFI-AWEZNQCLSA-N 2 2 315.392 3.163 10 0 DGAELP FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000129258083 196033046 /nfs/dbraw/zinc/03/30/46/196033046.db2.gz LRGVUDZGHVBERY-KBPBESRZSA-N 2 2 324.350 3.478 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000171614737 432152049 /nfs/dbraw/zinc/15/20/49/432152049.db2.gz BRKNHMSKUUXGIE-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000171614737 432152052 /nfs/dbraw/zinc/15/20/52/432152052.db2.gz BRKNHMSKUUXGIE-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000171614433 432152793 /nfs/dbraw/zinc/15/27/93/432152793.db2.gz XCPGASGROOKRIP-QGZVFWFLSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000171614433 432152797 /nfs/dbraw/zinc/15/27/97/432152797.db2.gz XCPGASGROOKRIP-QGZVFWFLSA-N 2 2 323.444 3.239 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccs2)C1 ZINC000190477104 432161235 /nfs/dbraw/zinc/16/12/35/432161235.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccs2)C1 ZINC000190477104 432161238 /nfs/dbraw/zinc/16/12/38/432161238.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190477104 432161239 /nfs/dbraw/zinc/16/12/39/432161239.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000190477104 432161245 /nfs/dbraw/zinc/16/12/45/432161245.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC000190471867 432161261 /nfs/dbraw/zinc/16/12/61/432161261.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC000190471867 432161262 /nfs/dbraw/zinc/16/12/62/432161262.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000190471867 432161264 /nfs/dbraw/zinc/16/12/64/432161264.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000190471867 432161266 /nfs/dbraw/zinc/16/12/66/432161266.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP Cc1ccsc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190483647 432163288 /nfs/dbraw/zinc/16/32/88/432163288.db2.gz UKTFBIGARGGAOR-QGZVFWFLSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1ccsc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190483647 432163289 /nfs/dbraw/zinc/16/32/89/432163289.db2.gz UKTFBIGARGGAOR-QGZVFWFLSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1ccsc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190483647 432163291 /nfs/dbraw/zinc/16/32/91/432163291.db2.gz UKTFBIGARGGAOR-QGZVFWFLSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1ccsc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190483647 432163292 /nfs/dbraw/zinc/16/32/92/432163292.db2.gz UKTFBIGARGGAOR-QGZVFWFLSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246919894 432181943 /nfs/dbraw/zinc/18/19/43/432181943.db2.gz GMSRJFFODAKBIN-WMLDXEAASA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246919894 432181948 /nfs/dbraw/zinc/18/19/48/432181948.db2.gz GMSRJFFODAKBIN-WMLDXEAASA-N 2 2 319.836 3.043 10 0 DGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247088416 432201584 /nfs/dbraw/zinc/20/15/84/432201584.db2.gz PGKIJZMNCQRUSB-QAPCUYQASA-N 3 2 312.461 3.316 10 0 DGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247088416 432201589 /nfs/dbraw/zinc/20/15/89/432201589.db2.gz PGKIJZMNCQRUSB-QAPCUYQASA-N 3 2 312.461 3.316 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130667743 196099403 /nfs/dbraw/zinc/09/94/03/196099403.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130667743 196099405 /nfs/dbraw/zinc/09/94/05/196099405.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130667743 196099407 /nfs/dbraw/zinc/09/94/07/196099407.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130667743 196099408 /nfs/dbraw/zinc/09/94/08/196099408.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131089892 196138473 /nfs/dbraw/zinc/13/84/73/196138473.db2.gz JABQCDYLWMNLRI-SFHVURJKSA-N 2 2 318.509 3.381 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131089892 196138475 /nfs/dbraw/zinc/13/84/75/196138475.db2.gz JABQCDYLWMNLRI-SFHVURJKSA-N 2 2 318.509 3.381 10 0 DGAELP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182623254 432211365 /nfs/dbraw/zinc/21/13/65/432211365.db2.gz BYNMZZCNNUWWBA-KRWDZBQOSA-N 2 2 315.417 3.128 10 0 DGAELP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182623254 432211372 /nfs/dbraw/zinc/21/13/72/432211372.db2.gz BYNMZZCNNUWWBA-KRWDZBQOSA-N 2 2 315.417 3.128 10 0 DGAELP Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cnn1C(C)C ZINC000191163640 432228238 /nfs/dbraw/zinc/22/82/38/432228238.db2.gz UMQOJAUHPQBMKG-AWEZNQCLSA-N 2 2 324.432 3.204 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)c2)c[nH+]1 ZINC000346278814 264002210 /nfs/dbraw/zinc/00/22/10/264002210.db2.gz KXZHUKQPLXZOME-QGZVFWFLSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3C3CCOCC3)c2)c[nH+]1 ZINC000346278814 264002213 /nfs/dbraw/zinc/00/22/13/264002213.db2.gz KXZHUKQPLXZOME-QGZVFWFLSA-N 2 2 317.458 3.325 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503443 266096327 /nfs/dbraw/zinc/09/63/27/266096327.db2.gz AYPYUKQOBFYXNY-HOCLYGCPSA-N 2 2 310.445 3.088 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503443 266096330 /nfs/dbraw/zinc/09/63/30/266096330.db2.gz AYPYUKQOBFYXNY-HOCLYGCPSA-N 2 2 310.445 3.088 10 0 DGAELP C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191240579 432239482 /nfs/dbraw/zinc/23/94/82/432239482.db2.gz UWLSSDIUNLHITN-AWEZNQCLSA-N 2 2 324.432 3.070 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191259609 432241231 /nfs/dbraw/zinc/24/12/31/432241231.db2.gz VQDJXZHVRBXPEC-YPMHNXCESA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191259609 432241235 /nfs/dbraw/zinc/24/12/35/432241235.db2.gz VQDJXZHVRBXPEC-YPMHNXCESA-N 2 2 302.871 3.163 10 0 DGAELP c1[nH]nc2c1[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)CCC2 ZINC000367625866 271054142 /nfs/dbraw/zinc/05/41/42/271054142.db2.gz ZJAYCLVLAOIWMY-IEBWSBKVSA-N 2 2 310.445 3.214 10 0 DGAELP c1cn2c(cccc2C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)[nH+]1 ZINC000368080908 271131705 /nfs/dbraw/zinc/13/17/05/271131705.db2.gz AUVOLWINUYJPHP-MSOLQXFVSA-N 2 2 307.397 3.344 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(OC3CCCC3)c1)C2 ZINC000368082283 271132259 /nfs/dbraw/zinc/13/22/59/271132259.db2.gz UVUSVJCVVHFPDK-OAHLLOKOSA-N 2 2 311.429 3.378 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CC2 ZINC000368082283 271132264 /nfs/dbraw/zinc/13/22/64/271132264.db2.gz UVUSVJCVVHFPDK-OAHLLOKOSA-N 2 2 311.429 3.378 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000368098593 271134718 /nfs/dbraw/zinc/13/47/18/271134718.db2.gz BWCPKDUXLSJDDA-YVEFUNNKSA-N 2 2 306.413 3.416 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098593 271134719 /nfs/dbraw/zinc/13/47/19/271134719.db2.gz BWCPKDUXLSJDDA-YVEFUNNKSA-N 2 2 306.413 3.416 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000368860653 271217251 /nfs/dbraw/zinc/21/72/51/271217251.db2.gz XXDZHGUKQJSRSV-KRWDZBQOSA-N 2 2 319.412 3.042 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000368860653 271217254 /nfs/dbraw/zinc/21/72/54/271217254.db2.gz XXDZHGUKQJSRSV-KRWDZBQOSA-N 2 2 319.412 3.042 10 0 DGAELP COc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000151533093 432254817 /nfs/dbraw/zinc/25/48/17/432254817.db2.gz SUIMOSLQVFNMAG-CQSZACIVSA-N 2 2 308.385 3.127 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921311 432255317 /nfs/dbraw/zinc/25/53/17/432255317.db2.gz BFDIFFACZPQNJJ-JTDSTZFVSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921311 432255318 /nfs/dbraw/zinc/25/53/18/432255318.db2.gz BFDIFFACZPQNJJ-JTDSTZFVSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@@]1(CNc2[nH+]cnc3[nH]ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000489949377 429268763 /nfs/dbraw/zinc/26/87/63/429268763.db2.gz UGYDCBDLEJPQBK-IBGZPJMESA-N 2 2 321.428 3.425 10 0 DGAELP C[C@@]1(CNc2[nH+]cnc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000489949377 429268767 /nfs/dbraw/zinc/26/87/67/429268767.db2.gz UGYDCBDLEJPQBK-IBGZPJMESA-N 2 2 321.428 3.425 10 0 DGAELP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000182059779 277082728 /nfs/dbraw/zinc/08/27/28/277082728.db2.gz IQJYXQYKZRDQFB-KDOFPFPSSA-N 2 2 305.466 3.272 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000116261695 431500466 /nfs/dbraw/zinc/50/04/66/431500466.db2.gz BGELJTHMDANPAF-OAHLLOKOSA-N 2 2 311.433 3.263 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123989922 431880174 /nfs/dbraw/zinc/88/01/74/431880174.db2.gz VVKUWFPWZJTGMX-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000123989922 431880176 /nfs/dbraw/zinc/88/01/76/431880176.db2.gz VVKUWFPWZJTGMX-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123989922 431880178 /nfs/dbraw/zinc/88/01/78/431880178.db2.gz VVKUWFPWZJTGMX-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123989922 431880180 /nfs/dbraw/zinc/88/01/80/431880180.db2.gz VVKUWFPWZJTGMX-DYVFJYSZSA-N 2 2 317.408 3.395 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091318848 431903941 /nfs/dbraw/zinc/90/39/41/431903941.db2.gz KURRMWVSXWVQPC-IEBWSBKVSA-N 2 2 320.477 3.093 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091318848 431903943 /nfs/dbraw/zinc/90/39/43/431903943.db2.gz KURRMWVSXWVQPC-IEBWSBKVSA-N 2 2 320.477 3.093 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000125462162 431926601 /nfs/dbraw/zinc/92/66/01/431926601.db2.gz QQFMMRNVEZUOLS-OAHLLOKOSA-N 2 2 313.420 3.271 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000125462162 431926604 /nfs/dbraw/zinc/92/66/04/431926604.db2.gz QQFMMRNVEZUOLS-OAHLLOKOSA-N 2 2 313.420 3.271 10 0 DGAELP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccncc2)cc1 ZINC000128083704 431986978 /nfs/dbraw/zinc/98/69/78/431986978.db2.gz GAXZXNFEWAGJIF-ZCNNSNEGSA-N 2 2 307.441 3.387 10 0 DGAELP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccncc2)cc1 ZINC000128083704 431986980 /nfs/dbraw/zinc/98/69/80/431986980.db2.gz GAXZXNFEWAGJIF-ZCNNSNEGSA-N 2 2 307.441 3.387 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248810804 432319493 /nfs/dbraw/zinc/31/94/93/432319493.db2.gz COYPPIJUUBWPAI-MOPGFXCFSA-N 2 2 311.429 3.324 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000248810804 432319494 /nfs/dbraw/zinc/31/94/94/432319494.db2.gz COYPPIJUUBWPAI-MOPGFXCFSA-N 2 2 311.429 3.324 10 0 DGAELP CO[C@H](C)c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000175096919 432397197 /nfs/dbraw/zinc/39/71/97/432397197.db2.gz FXJRMXWKHKCPRC-CQSZACIVSA-N 2 2 323.506 3.158 10 0 DGAELP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCC[NH+]1CCCC1 ZINC000153674054 432432175 /nfs/dbraw/zinc/43/21/75/432432175.db2.gz LMCJDFIJTYEBSL-ZIFCJYIRSA-N 2 2 302.462 3.323 10 0 DGAELP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCC[NH+]1CCCC1 ZINC000153674054 432432178 /nfs/dbraw/zinc/43/21/78/432432178.db2.gz LMCJDFIJTYEBSL-ZIFCJYIRSA-N 2 2 302.462 3.323 10 0 DGAELP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262122217 432475549 /nfs/dbraw/zinc/47/55/49/432475549.db2.gz XJEJXKRMXVBSJU-YJBOKZPZSA-N 2 2 321.896 3.018 10 0 DGAELP C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262122217 432475553 /nfs/dbraw/zinc/47/55/53/432475553.db2.gz XJEJXKRMXVBSJU-YJBOKZPZSA-N 2 2 321.896 3.018 10 0 DGAELP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1OC ZINC000261977147 432465855 /nfs/dbraw/zinc/46/58/55/432465855.db2.gz QTQONUBVPLYGEJ-PBWFPOADSA-N 2 2 324.852 3.072 10 0 DGAELP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1OC ZINC000261977147 432465857 /nfs/dbraw/zinc/46/58/57/432465857.db2.gz QTQONUBVPLYGEJ-PBWFPOADSA-N 2 2 324.852 3.072 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545206 432606231 /nfs/dbraw/zinc/60/62/31/432606231.db2.gz QTHROPXOQYOHKN-DOTOQJQBSA-N 2 2 311.473 3.244 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545206 432606234 /nfs/dbraw/zinc/60/62/34/432606234.db2.gz QTHROPXOQYOHKN-DOTOQJQBSA-N 2 2 311.473 3.244 10 0 DGAELP Cc1cnc(CC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000157730763 432628640 /nfs/dbraw/zinc/62/86/40/432628640.db2.gz ACWWGAVIZCSUDR-UHFFFAOYSA-N 2 2 312.442 3.312 10 0 DGAELP Cc1cnc(CC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000157730763 432628642 /nfs/dbraw/zinc/62/86/42/432628642.db2.gz ACWWGAVIZCSUDR-UHFFFAOYSA-N 2 2 312.442 3.312 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688435 432651006 /nfs/dbraw/zinc/65/10/06/432651006.db2.gz YXCBOSXQZCBZFU-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688435 432651008 /nfs/dbraw/zinc/65/10/08/432651008.db2.gz YXCBOSXQZCBZFU-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688435 432651013 /nfs/dbraw/zinc/65/10/13/432651013.db2.gz YXCBOSXQZCBZFU-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688435 432651016 /nfs/dbraw/zinc/65/10/16/432651016.db2.gz YXCBOSXQZCBZFU-BBRMVZONSA-N 2 2 317.408 3.395 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000178298368 432717693 /nfs/dbraw/zinc/71/76/93/432717693.db2.gz KMIRNZPRDULDIO-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000178298368 432717697 /nfs/dbraw/zinc/71/76/97/432717697.db2.gz KMIRNZPRDULDIO-LJQANCHMSA-N 2 2 321.428 3.042 10 0 DGAELP C[N@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231458958 432733105 /nfs/dbraw/zinc/73/31/05/432733105.db2.gz ONZUZBKVBMQOHC-MRXNPFEDSA-N 2 2 301.459 3.384 10 0 DGAELP C[N@@H+](Cc1csc(-c2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000231458958 432733109 /nfs/dbraw/zinc/73/31/09/432733109.db2.gz ONZUZBKVBMQOHC-MRXNPFEDSA-N 2 2 301.459 3.384 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000245611962 432849140 /nfs/dbraw/zinc/84/91/40/432849140.db2.gz LPNNWVQXAAQOQQ-UKRRQHHQSA-N 2 2 315.421 3.007 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000245611962 432849144 /nfs/dbraw/zinc/84/91/44/432849144.db2.gz LPNNWVQXAAQOQQ-UKRRQHHQSA-N 2 2 315.421 3.007 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245686102 432855469 /nfs/dbraw/zinc/85/54/69/432855469.db2.gz AOYSGDVZVXSVNX-KXBFYZLASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245686102 432855472 /nfs/dbraw/zinc/85/54/72/432855472.db2.gz AOYSGDVZVXSVNX-KXBFYZLASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245686102 432855474 /nfs/dbraw/zinc/85/54/74/432855474.db2.gz AOYSGDVZVXSVNX-KXBFYZLASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245686102 432855477 /nfs/dbraw/zinc/85/54/77/432855477.db2.gz AOYSGDVZVXSVNX-KXBFYZLASA-N 2 2 312.461 3.095 10 0 DGAELP COc1cccc(CCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245704063 432857037 /nfs/dbraw/zinc/85/70/37/432857037.db2.gz RUMHCWWVQIUBKW-QFBILLFUSA-N 2 2 313.445 3.407 10 0 DGAELP COc1cccc(CCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245704063 432857039 /nfs/dbraw/zinc/85/70/39/432857039.db2.gz RUMHCWWVQIUBKW-QFBILLFUSA-N 2 2 313.445 3.407 10 0 DGAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCCC34CCC4)C2)cc1 ZINC000375334519 433432255 /nfs/dbraw/zinc/43/22/55/433432255.db2.gz CPJDACSQVHNLFI-LJQANCHMSA-N 2 2 314.473 3.296 10 0 DGAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCCC34CCC4)C2)cc1 ZINC000375334519 433432265 /nfs/dbraw/zinc/43/22/65/433432265.db2.gz CPJDACSQVHNLFI-LJQANCHMSA-N 2 2 314.473 3.296 10 0 DGAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCCC34CCC4)C2)cc1 ZINC000375334519 433432271 /nfs/dbraw/zinc/43/22/71/433432271.db2.gz CPJDACSQVHNLFI-LJQANCHMSA-N 2 2 314.473 3.296 10 0 DGAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCCC34CCC4)C2)cc1 ZINC000375334519 433432279 /nfs/dbraw/zinc/43/22/79/433432279.db2.gz CPJDACSQVHNLFI-LJQANCHMSA-N 2 2 314.473 3.296 10 0 DGAELP Cc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000162940003 292861177 /nfs/dbraw/zinc/86/11/77/292861177.db2.gz BKTJMODPAMZAKI-LBPRGKRZSA-N 2 2 320.356 3.285 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391882 433745581 /nfs/dbraw/zinc/74/55/81/433745581.db2.gz ITLXEEYCCFJZKK-WTQUMQLASA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391882 433745586 /nfs/dbraw/zinc/74/55/86/433745586.db2.gz ITLXEEYCCFJZKK-WTQUMQLASA-N 2 2 322.880 3.180 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000340210897 433983257 /nfs/dbraw/zinc/98/32/57/433983257.db2.gz XFMMQNYKPWAYOR-QZTJIDSGSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000340210897 433983269 /nfs/dbraw/zinc/98/32/69/433983269.db2.gz XFMMQNYKPWAYOR-QZTJIDSGSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1Br ZINC000313304631 434128918 /nfs/dbraw/zinc/12/89/18/434128918.db2.gz RDVRTWJEEXEGPS-LLVKDONJSA-N 2 2 308.223 3.076 10 0 DGAELP C[NH+](C)C1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106951 434216190 /nfs/dbraw/zinc/21/61/90/434216190.db2.gz JIFBLNGOYXVMGN-SJLPKXTDSA-N 2 2 302.462 3.228 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379645605 434260951 /nfs/dbraw/zinc/26/09/51/434260951.db2.gz IDDVFPUFRVUVFB-MJGOQNOKSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379645605 434260956 /nfs/dbraw/zinc/26/09/56/434260956.db2.gz IDDVFPUFRVUVFB-MJGOQNOKSA-N 3 2 303.494 3.148 10 0 DGAELP COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC000516444173 294607641 /nfs/dbraw/zinc/60/76/41/294607641.db2.gz DHYWJBWCBLDNMO-HNNXBMFYSA-N 2 2 322.412 3.186 10 0 DGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173319 434365013 /nfs/dbraw/zinc/36/50/13/434365013.db2.gz WGHLCBQGTWIYNB-UYAOXDASSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[NH+](CCN[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173319 434365015 /nfs/dbraw/zinc/36/50/15/434365015.db2.gz WGHLCBQGTWIYNB-UYAOXDASSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@H+](CCN[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173319 434365019 /nfs/dbraw/zinc/36/50/19/434365019.db2.gz WGHLCBQGTWIYNB-UYAOXDASSA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@@H+](CCN[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173319 434365021 /nfs/dbraw/zinc/36/50/21/434365021.db2.gz WGHLCBQGTWIYNB-UYAOXDASSA-N 2 2 313.489 3.064 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000389208464 434344376 /nfs/dbraw/zinc/34/43/76/434344376.db2.gz BJRWXAHLTJGENE-NHYWBVRUSA-N 2 2 309.251 3.120 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000389208464 434344383 /nfs/dbraw/zinc/34/43/83/434344383.db2.gz BJRWXAHLTJGENE-NHYWBVRUSA-N 2 2 309.251 3.120 10 0 DGAELP CCO[C@@H]1C[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405793485 434525803 /nfs/dbraw/zinc/52/58/03/434525803.db2.gz PKZFMKAEXMRCGM-JVLSTEMRSA-N 2 2 317.260 3.350 10 0 DGAELP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405793485 434525808 /nfs/dbraw/zinc/52/58/08/434525808.db2.gz PKZFMKAEXMRCGM-JVLSTEMRSA-N 2 2 317.260 3.350 10 0 DGAELP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000527804504 295133608 /nfs/dbraw/zinc/13/36/08/295133608.db2.gz QKAXMAQGIPNGPA-DNEVWPOVSA-N 2 2 302.462 3.051 10 0 DGAELP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000527804504 295133611 /nfs/dbraw/zinc/13/36/11/295133611.db2.gz QKAXMAQGIPNGPA-DNEVWPOVSA-N 2 2 302.462 3.051 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004251 295165066 /nfs/dbraw/zinc/16/50/66/295165066.db2.gz WHLAMUBYSXMRLR-HOCLYGCPSA-N 2 2 309.457 3.242 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004251 295165068 /nfs/dbraw/zinc/16/50/68/295165068.db2.gz WHLAMUBYSXMRLR-HOCLYGCPSA-N 2 2 309.457 3.242 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(N[C@@H]3CC4CCC3CC4)c12 ZINC000559341412 435129954 /nfs/dbraw/zinc/12/99/54/435129954.db2.gz CGWCFYIWIZLLIT-SEEARECTSA-N 2 2 320.400 3.201 10 0 DGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459366 435168363 /nfs/dbraw/zinc/16/83/63/435168363.db2.gz KKDJPNCKMZFAPO-JXFKEZNVSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459366 435168367 /nfs/dbraw/zinc/16/83/67/435168367.db2.gz KKDJPNCKMZFAPO-JXFKEZNVSA-N 2 2 310.441 3.305 10 0 DGAELP c1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583871465 435252503 /nfs/dbraw/zinc/25/25/03/435252503.db2.gz JILINVTYZBJQFJ-MRXNPFEDSA-N 2 2 313.470 3.430 10 0 DGAELP c1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000583871465 435252506 /nfs/dbraw/zinc/25/25/06/435252506.db2.gz JILINVTYZBJQFJ-MRXNPFEDSA-N 2 2 313.470 3.430 10 0 DGAELP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CC4CCC3CC4)CC2)ccn1 ZINC000517741208 435610635 /nfs/dbraw/zinc/61/06/35/435610635.db2.gz FEQDCMKVAPDPQU-KVZIAJEVSA-N 2 2 313.489 3.462 10 0 DGAELP c1csc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000520795560 435772270 /nfs/dbraw/zinc/77/22/70/435772270.db2.gz JBLDQRNGKXOHPI-RHSMWYFYSA-N 2 2 324.453 3.297 10 0 DGAELP c1csc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000520795560 435772289 /nfs/dbraw/zinc/77/22/89/435772289.db2.gz JBLDQRNGKXOHPI-RHSMWYFYSA-N 2 2 324.453 3.297 10 0 DGAELP c1csc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000520795561 435774408 /nfs/dbraw/zinc/77/44/08/435774408.db2.gz JBLDQRNGKXOHPI-WMLDXEAASA-N 2 2 324.453 3.297 10 0 DGAELP c1csc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000520795561 435774414 /nfs/dbraw/zinc/77/44/14/435774414.db2.gz JBLDQRNGKXOHPI-WMLDXEAASA-N 2 2 324.453 3.297 10 0 DGAELP c1cc(Sc2ccccn2)oc1C[NH2+]CCC[NH+]1CCC1 ZINC000572423235 435825773 /nfs/dbraw/zinc/82/57/73/435825773.db2.gz WALPZMCNTKKPNO-UHFFFAOYSA-N 2 2 303.431 3.011 10 0 DGAELP CC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000532450282 313549890 /nfs/dbraw/zinc/54/98/90/313549890.db2.gz MWVMEKMJRUFLBK-IBGZPJMESA-N 2 2 313.445 3.226 10 0 DGAELP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000546573463 314312053 /nfs/dbraw/zinc/31/20/53/314312053.db2.gz MBDHBSDAAFUGTO-SJORKVTESA-N 2 2 302.462 3.429 10 0 DGAELP COc1ccc([C@H](C)[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546573463 314312055 /nfs/dbraw/zinc/31/20/55/314312055.db2.gz MBDHBSDAAFUGTO-SJORKVTESA-N 2 2 302.462 3.429 10 0 DGAELP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000547276557 314352119 /nfs/dbraw/zinc/35/21/19/314352119.db2.gz GHPXEHBZGLFVSR-KRWDZBQOSA-N 2 2 302.462 3.258 10 0 DGAELP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000547276557 314352121 /nfs/dbraw/zinc/35/21/21/314352121.db2.gz GHPXEHBZGLFVSR-KRWDZBQOSA-N 2 2 302.462 3.258 10 0 DGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871297 315058675 /nfs/dbraw/zinc/05/86/75/315058675.db2.gz IBSDAJDZZNDLQC-OXQOHEQNSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871297 315058677 /nfs/dbraw/zinc/05/86/77/315058677.db2.gz IBSDAJDZZNDLQC-OXQOHEQNSA-N 2 2 310.441 3.305 10 0 DGAELP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccncc2)cc1 ZINC000322353292 534500673 /nfs/dbraw/zinc/50/06/73/534500673.db2.gz GAXZXNFEWAGJIF-AABGKKOBSA-N 2 2 307.441 3.387 10 0 DGAELP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccncc2)cc1 ZINC000322353292 534500681 /nfs/dbraw/zinc/50/06/81/534500681.db2.gz GAXZXNFEWAGJIF-AABGKKOBSA-N 2 2 307.441 3.387 10 0 DGAELP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(OC)cc1 ZINC000163291961 521159429 /nfs/dbraw/zinc/15/94/29/521159429.db2.gz IFDMFNKUTWIQNS-HKUYNNGSSA-N 2 2 320.477 3.237 10 0 DGAELP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(OC)cc1 ZINC000163291961 521159442 /nfs/dbraw/zinc/15/94/42/521159442.db2.gz IFDMFNKUTWIQNS-HKUYNNGSSA-N 2 2 320.477 3.237 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625190 534813819 /nfs/dbraw/zinc/81/38/19/534813819.db2.gz CXSSUXRKVWIVML-KSSFIOAISA-N 2 2 311.385 3.176 10 0 DGAELP C[C@@H]([NH2+]Cc1noc2c1CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666847 546189498 /nfs/dbraw/zinc/18/94/98/546189498.db2.gz OZVKBKKLGWLDAJ-CABCVRRESA-N 2 2 317.477 3.296 10 0 DGAELP C[C@@H]([NH2+]Cc1noc2c1CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666847 546189501 /nfs/dbraw/zinc/18/95/01/546189501.db2.gz OZVKBKKLGWLDAJ-CABCVRRESA-N 2 2 317.477 3.296 10 0 DGAELP c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298842 546470300 /nfs/dbraw/zinc/47/03/00/546470300.db2.gz MAJLKVYOCGMXSO-IRXDYDNUSA-N 2 2 311.429 3.306 10 0 DGAELP c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298842 546470304 /nfs/dbraw/zinc/47/03/04/546470304.db2.gz MAJLKVYOCGMXSO-IRXDYDNUSA-N 2 2 311.429 3.306 10 0 DGAELP Cc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C#N)c(C)[nH+]1 ZINC000299739949 563938608 /nfs/dbraw/zinc/93/86/08/563938608.db2.gz TZKWCFYAWQFYRZ-OAHLLOKOSA-N 2 2 321.428 3.097 10 0 DGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261641915 655821986 /nfs/dbraw/zinc/82/19/86/655821986.db2.gz CJEIXRSSZBKNES-UHIISALHSA-N 2 2 315.244 3.041 10 0 DGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261641915 655821990 /nfs/dbraw/zinc/82/19/90/655821990.db2.gz CJEIXRSSZBKNES-UHIISALHSA-N 2 2 315.244 3.041 10 0 DGAELP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(C)c1Br ZINC000719558228 662292048 /nfs/dbraw/zinc/29/20/48/662292048.db2.gz VTQTZQWXAZJMHH-UHFFFAOYSA-N 2 2 308.223 3.052 10 0 DGAELP c1cn(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)c[nH+]1 ZINC000060831216 1195158626 /nfs/dbraw/zinc/15/86/26/1195158626.db2.gz CJSWCFHDQYOWMA-UHFFFAOYSA-N 2 2 307.397 3.252 10 0 DGAELP c1cnn(-c2ccc(C[NH2+]CCCCNc3cccc[nH+]3)cc2)c1 ZINC000078847165 1196802636 /nfs/dbraw/zinc/80/26/36/1196802636.db2.gz KREXTOOKEIKABJ-UHFFFAOYSA-N 2 2 321.428 3.249 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000237088278 1202646529 /nfs/dbraw/zinc/64/65/29/1202646529.db2.gz XVOBEWPCUCVLDM-IBGZPJMESA-N 2 2 310.441 3.449 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000237088278 1202646530 /nfs/dbraw/zinc/64/65/30/1202646530.db2.gz XVOBEWPCUCVLDM-IBGZPJMESA-N 2 2 310.441 3.449 10 0 DGAELP C[C@]1(C[NH2+]Cc2ccns2)CC[N@H+](Cc2ccccc2)C1 ZINC000404428187 1094257618 /nfs/dbraw/zinc/25/76/18/1094257618.db2.gz JYEOTSSSMJDSGU-QGZVFWFLSA-N 2 2 301.459 3.145 10 0 DGAELP C[C@]1(C[NH2+]Cc2ccns2)CC[N@@H+](Cc2ccccc2)C1 ZINC000404428187 1094257624 /nfs/dbraw/zinc/25/76/24/1094257624.db2.gz JYEOTSSSMJDSGU-QGZVFWFLSA-N 2 2 301.459 3.145 10 0 DGAELP Cc1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)o1 ZINC000716681077 1100576235 /nfs/dbraw/zinc/57/62/35/1100576235.db2.gz KHEREFUVAVSHKV-BZSNNMDCSA-N 2 2 311.429 3.126 10 0 DGAELP Cc1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)o1 ZINC000716681077 1100576240 /nfs/dbraw/zinc/57/62/40/1100576240.db2.gz KHEREFUVAVSHKV-BZSNNMDCSA-N 2 2 311.429 3.126 10 0 DGAELP c1ccc(NC[C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]c1 ZINC000092812684 185343110 /nfs/dbraw/zinc/34/31/10/185343110.db2.gz VWZKDRSMAAFRDS-MRXNPFEDSA-N 2 2 321.424 3.291 10 0 DGAELP c1ccc(NC[C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]c1 ZINC000092812684 185343111 /nfs/dbraw/zinc/34/31/11/185343111.db2.gz VWZKDRSMAAFRDS-MRXNPFEDSA-N 2 2 321.424 3.291 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191831510 186260798 /nfs/dbraw/zinc/26/07/98/186260798.db2.gz DTFZFMCBIAGNBV-RDTXWAMCSA-N 2 2 322.880 3.319 10 0 DGAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(NC2CC[NH2+]CC2)c1C ZINC000073662906 191339541 /nfs/dbraw/zinc/33/95/41/191339541.db2.gz LQCZSZWKOPZIKL-UHFFFAOYSA-N 2 2 310.445 3.487 10 0 DGAELP CCc1[nH+]c(-c2ccccc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684725 191341080 /nfs/dbraw/zinc/34/10/80/191341080.db2.gz AHFRPHDGVODSFI-OAHLLOKOSA-N 2 2 310.445 3.426 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000179494251 432060371 /nfs/dbraw/zinc/06/03/71/432060371.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000179494251 432060372 /nfs/dbraw/zinc/06/03/72/432060372.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000179494251 432060373 /nfs/dbraw/zinc/06/03/73/432060373.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000179494251 432060375 /nfs/dbraw/zinc/06/03/75/432060375.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CCO1 ZINC000179784931 432070498 /nfs/dbraw/zinc/07/04/98/432070498.db2.gz WLZWYQIAHQUUNG-QGZVFWFLSA-N 2 2 316.489 3.149 10 0 DGAELP C[C@@H]1C[N@H+](C2CC[NH+](CC(C)(C)c3ccccc3)CC2)CCO1 ZINC000179784931 432070501 /nfs/dbraw/zinc/07/05/01/432070501.db2.gz WLZWYQIAHQUUNG-QGZVFWFLSA-N 2 2 316.489 3.149 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000246100700 432095384 /nfs/dbraw/zinc/09/53/84/432095384.db2.gz IJXCSXKIMRBGOH-HZPDHXFCSA-N 2 2 314.458 3.127 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000246100700 432095389 /nfs/dbraw/zinc/09/53/89/432095389.db2.gz IJXCSXKIMRBGOH-HZPDHXFCSA-N 2 2 314.458 3.127 10 0 DGAELP C[C@@H]([NH2+]CCOCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657128 432095354 /nfs/dbraw/zinc/09/53/54/432095354.db2.gz XHCTULUGSPJXSH-GFCCVEGCSA-N 2 2 313.323 3.102 10 0 DGAELP Cc1cc(NCCC[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000195302325 201374268 /nfs/dbraw/zinc/37/42/68/201374268.db2.gz RMCODHGRGYGMLK-UHFFFAOYSA-N 2 2 311.433 3.135 10 0 DGAELP c1cn2c(n1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000449371740 240160594 /nfs/dbraw/zinc/16/05/94/240160594.db2.gz YFMYOYCAVWQHCC-GOSISDBHSA-N 2 2 310.445 3.104 10 0 DGAELP CCN(CC)c1ncc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000093638572 193277919 /nfs/dbraw/zinc/27/79/19/193277919.db2.gz GJWOZOAYTPZMOC-ZBFHGGJFSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000093638572 193277922 /nfs/dbraw/zinc/27/79/22/193277922.db2.gz GJWOZOAYTPZMOC-ZBFHGGJFSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000093638572 193277923 /nfs/dbraw/zinc/27/79/23/193277923.db2.gz GJWOZOAYTPZMOC-ZBFHGGJFSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000093638572 193277925 /nfs/dbraw/zinc/27/79/25/193277925.db2.gz GJWOZOAYTPZMOC-ZBFHGGJFSA-N 2 2 324.538 3.151 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000093644844 193281078 /nfs/dbraw/zinc/28/10/78/193281078.db2.gz UJXBHJVSEROJBL-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000093644844 193281080 /nfs/dbraw/zinc/28/10/80/193281080.db2.gz UJXBHJVSEROJBL-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644844 193281082 /nfs/dbraw/zinc/28/10/82/193281082.db2.gz UJXBHJVSEROJBL-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644844 193281084 /nfs/dbraw/zinc/28/10/84/193281084.db2.gz UJXBHJVSEROJBL-GXTWGEPZSA-N 2 2 316.367 3.500 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000122867989 284227267 /nfs/dbraw/zinc/22/72/67/284227267.db2.gz DWJWIAVNUUWQHK-HNNXBMFYSA-N 2 2 313.401 3.011 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000122867989 284227269 /nfs/dbraw/zinc/22/72/69/284227269.db2.gz DWJWIAVNUUWQHK-HNNXBMFYSA-N 2 2 313.401 3.011 10 0 DGAELP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC000266409188 205326033 /nfs/dbraw/zinc/32/60/33/205326033.db2.gz QKAAQHCGJKAIJU-AYHJJNSGSA-N 2 2 308.429 3.393 10 0 DGAELP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC000266409188 205326035 /nfs/dbraw/zinc/32/60/35/205326035.db2.gz QKAAQHCGJKAIJU-AYHJJNSGSA-N 2 2 308.429 3.393 10 0 DGAELP C[N@H+](Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747026 183129096 /nfs/dbraw/zinc/12/90/96/183129096.db2.gz BCTLWCNUPMFBTJ-ONXXMXGDSA-N 2 2 303.431 3.118 10 0 DGAELP C[N@@H+](Cc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747026 183129098 /nfs/dbraw/zinc/12/90/98/183129098.db2.gz BCTLWCNUPMFBTJ-ONXXMXGDSA-N 2 2 303.431 3.118 10 0 DGAELP CC(C)[N@H+](CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000042529775 183280994 /nfs/dbraw/zinc/28/09/94/183280994.db2.gz ULDIESGGLMOIPZ-UHFFFAOYSA-N 2 2 316.218 3.125 10 0 DGAELP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000042529775 183280995 /nfs/dbraw/zinc/28/09/95/183280995.db2.gz ULDIESGGLMOIPZ-UHFFFAOYSA-N 2 2 316.218 3.125 10 0 DGAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)[C@@H](C)COC ZINC000042743802 183304715 /nfs/dbraw/zinc/30/47/15/183304715.db2.gz PUXAOCCXAABKRF-HZMBPMFUSA-N 2 2 305.249 3.350 10 0 DGAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)[C@@H](C)COC ZINC000042743802 183304717 /nfs/dbraw/zinc/30/47/17/183304717.db2.gz PUXAOCCXAABKRF-HZMBPMFUSA-N 2 2 305.249 3.350 10 0 DGAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cs1 ZINC000043687685 183381303 /nfs/dbraw/zinc/38/13/03/183381303.db2.gz CERFMAVPNZKVQP-UWVGGRQHSA-N 2 2 303.269 3.070 10 0 DGAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)cs1 ZINC000043687685 183381305 /nfs/dbraw/zinc/38/13/05/183381305.db2.gz CERFMAVPNZKVQP-UWVGGRQHSA-N 2 2 303.269 3.070 10 0 DGAELP CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609635615 400184041 /nfs/dbraw/zinc/18/40/41/400184041.db2.gz BLXCFONMTYABOO-MSOLQXFVSA-N 2 2 324.509 3.306 10 0 DGAELP CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000609635615 400184043 /nfs/dbraw/zinc/18/40/43/400184043.db2.gz BLXCFONMTYABOO-MSOLQXFVSA-N 2 2 324.509 3.306 10 0 DGAELP COc1ccc([C@@H]([NH3+])[C@@H]([NH3+])c2ccc(OC)cc2C)c(C)c1 ZINC000197116751 400927924 /nfs/dbraw/zinc/92/79/24/400927924.db2.gz WFSMJQUJRDFMAQ-HDICACEKSA-N 2 2 300.402 3.020 10 0 DGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777167 401213457 /nfs/dbraw/zinc/21/34/57/401213457.db2.gz BATDKRUMYFVEQL-MSOLQXFVSA-N 2 2 313.470 3.401 10 0 DGAELP c1[nH+]cn(Cc2ccccc2)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777167 401213458 /nfs/dbraw/zinc/21/34/58/401213458.db2.gz BATDKRUMYFVEQL-MSOLQXFVSA-N 2 2 313.470 3.401 10 0 DGAELP Cc1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)nc(C)[nH+]1 ZINC000608094104 401186525 /nfs/dbraw/zinc/18/65/25/401186525.db2.gz CSIXIVNNMZHKAW-INIZCTEOSA-N 2 2 307.401 3.223 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCCO1 ZINC000623895454 401595485 /nfs/dbraw/zinc/59/54/85/401595485.db2.gz QYOAWKDGFKWRBO-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCCO1 ZINC000623895454 401595486 /nfs/dbraw/zinc/59/54/86/401595486.db2.gz QYOAWKDGFKWRBO-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP Fc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000364919509 287075989 /nfs/dbraw/zinc/07/59/89/287075989.db2.gz WKTQZBUFWHHICG-MRXNPFEDSA-N 2 2 305.441 3.309 10 0 DGAELP Fc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000364919509 287075990 /nfs/dbraw/zinc/07/59/90/287075990.db2.gz WKTQZBUFWHHICG-MRXNPFEDSA-N 2 2 305.441 3.309 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342509 165244723 /nfs/dbraw/zinc/24/47/23/165244723.db2.gz MEGMJUCBCOBXBB-IRXDYDNUSA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342509 165244724 /nfs/dbraw/zinc/24/47/24/165244724.db2.gz MEGMJUCBCOBXBB-IRXDYDNUSA-N 2 2 305.466 3.024 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191946115 165276365 /nfs/dbraw/zinc/27/63/65/165276365.db2.gz KAFBEHJYRHRVBB-UHFFFAOYSA-N 3 2 324.472 3.241 10 0 DGAELP CSc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000193431970 165326644 /nfs/dbraw/zinc/32/66/44/165326644.db2.gz LWACWFMZZKZXTM-OAHLLOKOSA-N 2 2 320.502 3.094 10 0 DGAELP CSc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000193431970 165326649 /nfs/dbraw/zinc/32/66/49/165326649.db2.gz LWACWFMZZKZXTM-OAHLLOKOSA-N 2 2 320.502 3.094 10 0 DGAELP O=C(c1ccccc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000193466333 165327323 /nfs/dbraw/zinc/32/73/23/165327323.db2.gz WKECXYJUXWMESH-UHFFFAOYSA-N 2 2 300.446 3.067 10 0 DGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000190436865 432157121 /nfs/dbraw/zinc/15/71/21/432157121.db2.gz BANXNODXGPIUNW-NSHDSACASA-N 2 2 324.222 3.005 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)o1 ZINC000190458659 432158351 /nfs/dbraw/zinc/15/83/51/432158351.db2.gz ARCKMZPLHIDBKP-HNNXBMFYSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)o1 ZINC000190458659 432158355 /nfs/dbraw/zinc/15/83/55/432158355.db2.gz ARCKMZPLHIDBKP-HNNXBMFYSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190458659 432158358 /nfs/dbraw/zinc/15/83/58/432158358.db2.gz ARCKMZPLHIDBKP-HNNXBMFYSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)o1 ZINC000190458659 432158363 /nfs/dbraw/zinc/15/83/63/432158363.db2.gz ARCKMZPLHIDBKP-HNNXBMFYSA-N 2 2 319.474 3.307 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490714 432162761 /nfs/dbraw/zinc/16/27/61/432162761.db2.gz YVRUNSCTXRFJQX-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190490714 432162762 /nfs/dbraw/zinc/16/27/62/432162762.db2.gz YVRUNSCTXRFJQX-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490714 432162766 /nfs/dbraw/zinc/16/27/66/432162766.db2.gz YVRUNSCTXRFJQX-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190490714 432162771 /nfs/dbraw/zinc/16/27/71/432162771.db2.gz YVRUNSCTXRFJQX-HXUWFJFHSA-N 2 2 309.457 3.344 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246809844 432169104 /nfs/dbraw/zinc/16/91/04/432169104.db2.gz ACJYZDPAHZMIEH-PIKADFDJSA-N 2 2 311.429 3.481 10 0 DGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](C)OC)CC1 ZINC000182411182 432187480 /nfs/dbraw/zinc/18/74/80/432187480.db2.gz CZADSOJQYRZPCZ-AWEZNQCLSA-N 2 2 301.434 3.271 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130667516 196099955 /nfs/dbraw/zinc/09/99/55/196099955.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130667516 196099956 /nfs/dbraw/zinc/09/99/56/196099956.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130667516 196099958 /nfs/dbraw/zinc/09/99/58/196099958.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130667516 196099959 /nfs/dbraw/zinc/09/99/59/196099959.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP Cc1csc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000130932546 196123740 /nfs/dbraw/zinc/12/37/40/196123740.db2.gz VEPJMVZGPIBMRJ-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1csc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000130932546 196123743 /nfs/dbraw/zinc/12/37/43/196123743.db2.gz VEPJMVZGPIBMRJ-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247283993 432218701 /nfs/dbraw/zinc/21/87/01/432218701.db2.gz YSUWURWXPDGAPQ-YJBOKZPZSA-N 2 2 300.446 3.144 10 0 DGAELP COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247283993 432218703 /nfs/dbraw/zinc/21/87/03/432218703.db2.gz YSUWURWXPDGAPQ-YJBOKZPZSA-N 2 2 300.446 3.144 10 0 DGAELP COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247283993 432218706 /nfs/dbraw/zinc/21/87/06/432218706.db2.gz YSUWURWXPDGAPQ-YJBOKZPZSA-N 2 2 300.446 3.144 10 0 DGAELP COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247283993 432218709 /nfs/dbraw/zinc/21/87/09/432218709.db2.gz YSUWURWXPDGAPQ-YJBOKZPZSA-N 2 2 300.446 3.144 10 0 DGAELP CCOc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000151107461 432218838 /nfs/dbraw/zinc/21/88/38/432218838.db2.gz CPONDTJFNAOREE-KRWDZBQOSA-N 2 2 311.429 3.414 10 0 DGAELP CCOc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000151107461 432218840 /nfs/dbraw/zinc/21/88/40/432218840.db2.gz CPONDTJFNAOREE-KRWDZBQOSA-N 2 2 311.429 3.414 10 0 DGAELP C[C@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000132972784 196301295 /nfs/dbraw/zinc/30/12/95/196301295.db2.gz AZDLPDNOGOJXQP-INIZCTEOSA-N 2 2 306.413 3.236 10 0 DGAELP O[C@@H](C[NH2+]C1c2ccccc2-c2ccccc21)C[NH+]1CCCCC1 ZINC000183714097 263601424 /nfs/dbraw/zinc/60/14/24/263601424.db2.gz QWXUDODNRBHSTE-INIZCTEOSA-N 2 2 322.452 3.193 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)[nH]1 ZINC000352949364 265242382 /nfs/dbraw/zinc/24/23/82/265242382.db2.gz XAALJIUZMKSBDY-UHFFFAOYSA-N 2 2 307.401 3.179 10 0 DGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000182940267 432243898 /nfs/dbraw/zinc/24/38/98/432243898.db2.gz VHSIMMCLBJHGHD-BPIHKTFHSA-N 2 2 324.472 3.266 10 0 DGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccn1C ZINC000182940267 432243901 /nfs/dbraw/zinc/24/39/01/432243901.db2.gz VHSIMMCLBJHGHD-BPIHKTFHSA-N 2 2 324.472 3.266 10 0 DGAELP O=C(C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000182968762 432247368 /nfs/dbraw/zinc/24/73/68/432247368.db2.gz FSRMRIFMGGDREI-KRWDZBQOSA-N 2 2 315.392 3.150 10 0 DGAELP O=C(C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000182968762 432247371 /nfs/dbraw/zinc/24/73/71/432247371.db2.gz FSRMRIFMGGDREI-KRWDZBQOSA-N 2 2 315.392 3.150 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000368098591 271134866 /nfs/dbraw/zinc/13/48/66/271134866.db2.gz BWCPKDUXLSJDDA-SJCJKPOMSA-N 2 2 306.413 3.416 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098591 271134868 /nfs/dbraw/zinc/13/48/68/271134868.db2.gz BWCPKDUXLSJDDA-SJCJKPOMSA-N 2 2 306.413 3.416 10 0 DGAELP C/C(=C\c1ccccc1)C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000368874587 271217665 /nfs/dbraw/zinc/21/76/65/271217665.db2.gz HCYMLHMSBMCKQB-LFIBNONCSA-N 2 2 304.397 3.460 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247939768 432254998 /nfs/dbraw/zinc/25/49/98/432254998.db2.gz CWONLZCOUCEJOI-QRQLOZEOSA-N 2 2 319.493 3.087 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247939768 432255001 /nfs/dbraw/zinc/25/50/01/432255001.db2.gz CWONLZCOUCEJOI-QRQLOZEOSA-N 2 2 319.493 3.087 10 0 DGAELP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586025 274349230 /nfs/dbraw/zinc/34/92/30/274349230.db2.gz DXGPIJXWBCJNQF-JLSDUUJJSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586025 274349233 /nfs/dbraw/zinc/34/92/33/274349233.db2.gz DXGPIJXWBCJNQF-JLSDUUJJSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586025 274349234 /nfs/dbraw/zinc/34/92/34/274349234.db2.gz DXGPIJXWBCJNQF-JLSDUUJJSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586025 274349237 /nfs/dbraw/zinc/34/92/37/274349237.db2.gz DXGPIJXWBCJNQF-JLSDUUJJSA-N 2 2 306.425 3.072 10 0 DGAELP c1ccc2c(c1)CC[N@@H+](CCCNc1cc[nH+]c(C3CC3)n1)C2 ZINC000110128971 431188629 /nfs/dbraw/zinc/18/86/29/431188629.db2.gz UIUXJQOWGYOEEP-UHFFFAOYSA-N 2 2 308.429 3.214 10 0 DGAELP c1ccc2c(c1)CC[N@H+](CCCNc1cc[nH+]c(C3CC3)n1)C2 ZINC000110128971 431188634 /nfs/dbraw/zinc/18/86/34/431188634.db2.gz UIUXJQOWGYOEEP-UHFFFAOYSA-N 2 2 308.429 3.214 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173825 431241506 /nfs/dbraw/zinc/24/15/06/431241506.db2.gz FSDCFIDRCLEIOX-NWDGAFQWSA-N 2 2 317.260 3.431 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173825 431241515 /nfs/dbraw/zinc/24/15/15/431241515.db2.gz FSDCFIDRCLEIOX-NWDGAFQWSA-N 2 2 317.260 3.431 10 0 DGAELP CCCC[N@H+](C)CC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112552963 431280575 /nfs/dbraw/zinc/28/05/75/431280575.db2.gz BKVUHQPEYHYXAV-UHFFFAOYSA-N 2 2 302.466 3.302 10 0 DGAELP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112552963 431280582 /nfs/dbraw/zinc/28/05/82/431280582.db2.gz BKVUHQPEYHYXAV-UHFFFAOYSA-N 2 2 302.466 3.302 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095542 431782973 /nfs/dbraw/zinc/78/29/73/431782973.db2.gz MXLVIVNATDGOCG-RDTXWAMCSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095542 431782979 /nfs/dbraw/zinc/78/29/79/431782979.db2.gz MXLVIVNATDGOCG-RDTXWAMCSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095542 431782983 /nfs/dbraw/zinc/78/29/83/431782983.db2.gz MXLVIVNATDGOCG-RDTXWAMCSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095542 431782985 /nfs/dbraw/zinc/78/29/85/431782985.db2.gz MXLVIVNATDGOCG-RDTXWAMCSA-N 2 2 312.461 3.100 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123423118 431864980 /nfs/dbraw/zinc/86/49/80/431864980.db2.gz OLVVRFAVMLMHCU-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123423118 431864982 /nfs/dbraw/zinc/86/49/82/431864982.db2.gz OLVVRFAVMLMHCU-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123423118 431864983 /nfs/dbraw/zinc/86/49/83/431864983.db2.gz OLVVRFAVMLMHCU-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123423118 431864986 /nfs/dbraw/zinc/86/49/86/431864986.db2.gz OLVVRFAVMLMHCU-QAPCUYQASA-N 2 2 317.477 3.163 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452593 431866103 /nfs/dbraw/zinc/86/61/03/431866103.db2.gz FGSYYKLRFRTYPK-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@H+]1C ZINC000123452593 431866104 /nfs/dbraw/zinc/86/61/04/431866104.db2.gz FGSYYKLRFRTYPK-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452593 431866106 /nfs/dbraw/zinc/86/61/06/431866106.db2.gz FGSYYKLRFRTYPK-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452593 431866108 /nfs/dbraw/zinc/86/61/08/431866108.db2.gz FGSYYKLRFRTYPK-JSGCOSHPSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000248183234 432273540 /nfs/dbraw/zinc/27/35/40/432273540.db2.gz WVIKURNPRVLDNO-OFQRWUPVSA-N 2 2 316.474 3.099 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000248183234 432273542 /nfs/dbraw/zinc/27/35/42/432273542.db2.gz WVIKURNPRVLDNO-OFQRWUPVSA-N 2 2 316.474 3.099 10 0 DGAELP Clc1cnccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779407 432299058 /nfs/dbraw/zinc/29/90/58/432299058.db2.gz DJQTXOKBBUYKRI-CYBMUJFWSA-N 2 2 302.809 3.064 10 0 DGAELP Clc1cnccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779407 432299062 /nfs/dbraw/zinc/29/90/62/432299062.db2.gz DJQTXOKBBUYKRI-CYBMUJFWSA-N 2 2 302.809 3.064 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000248965684 432331159 /nfs/dbraw/zinc/33/11/59/432331159.db2.gz QQAQWCGREIZIHA-IRXDYDNUSA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000248965684 432331162 /nfs/dbraw/zinc/33/11/62/432331162.db2.gz QQAQWCGREIZIHA-IRXDYDNUSA-N 2 2 305.466 3.024 10 0 DGAELP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192287144 432354176 /nfs/dbraw/zinc/35/41/76/432354176.db2.gz AHXGSSSZGYJOGU-HZPDHXFCSA-N 2 2 313.445 3.442 10 0 DGAELP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000191823717 432305717 /nfs/dbraw/zinc/30/57/17/432305717.db2.gz GKHOAMZGDXPNGQ-MRXNPFEDSA-N 3 2 300.450 3.255 10 0 DGAELP C[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193115855 432450397 /nfs/dbraw/zinc/45/03/97/432450397.db2.gz QHSNRUFDXJDSDT-CRAIPNDOSA-N 2 2 315.417 3.066 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000262094889 432473561 /nfs/dbraw/zinc/47/35/61/432473561.db2.gz HOKWQAHLGRCWPA-ZACCUICWSA-N 2 2 319.396 3.185 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000262094889 432473566 /nfs/dbraw/zinc/47/35/66/432473566.db2.gz HOKWQAHLGRCWPA-ZACCUICWSA-N 2 2 319.396 3.185 10 0 DGAELP C[N@H+](Cc1ccc(F)cc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262126984 432474907 /nfs/dbraw/zinc/47/49/07/432474907.db2.gz XTIUITFHJBPKDP-CQSZACIVSA-N 2 2 315.230 3.020 10 0 DGAELP C[N@@H+](Cc1ccc(F)cc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262126984 432474908 /nfs/dbraw/zinc/47/49/08/432474908.db2.gz XTIUITFHJBPKDP-CQSZACIVSA-N 2 2 315.230 3.020 10 0 DGAELP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262122213 432475909 /nfs/dbraw/zinc/47/59/09/432475909.db2.gz XJEJXKRMXVBSJU-MAUKXSAKSA-N 2 2 321.896 3.018 10 0 DGAELP C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262122213 432475912 /nfs/dbraw/zinc/47/59/12/432475912.db2.gz XJEJXKRMXVBSJU-MAUKXSAKSA-N 2 2 321.896 3.018 10 0 DGAELP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000262460464 432486174 /nfs/dbraw/zinc/48/61/74/432486174.db2.gz IMZKPWZNNDPLMO-INIZCTEOSA-N 2 2 303.381 3.055 10 0 DGAELP C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000262460464 432486177 /nfs/dbraw/zinc/48/61/77/432486177.db2.gz IMZKPWZNNDPLMO-INIZCTEOSA-N 2 2 303.381 3.055 10 0 DGAELP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551323 432505798 /nfs/dbraw/zinc/50/57/98/432505798.db2.gz SMCVZWJRXFVTKB-DYVFJYSZSA-N 2 2 316.424 3.065 10 0 DGAELP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551323 432505799 /nfs/dbraw/zinc/50/57/99/432505799.db2.gz SMCVZWJRXFVTKB-DYVFJYSZSA-N 2 2 316.424 3.065 10 0 DGAELP CC[N@H+](Cc1ccccc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262010827 432467087 /nfs/dbraw/zinc/46/70/87/432467087.db2.gz MFUSUWPCJXFCMH-HNNXBMFYSA-N 2 2 311.267 3.271 10 0 DGAELP CC[N@@H+](Cc1ccccc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262010827 432467092 /nfs/dbraw/zinc/46/70/92/432467092.db2.gz MFUSUWPCJXFCMH-HNNXBMFYSA-N 2 2 311.267 3.271 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186618682 432614734 /nfs/dbraw/zinc/61/47/34/432614734.db2.gz WBZLBUXDCJACIY-YMAMQOFZSA-N 2 2 322.415 3.056 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186618682 432614735 /nfs/dbraw/zinc/61/47/35/432614735.db2.gz WBZLBUXDCJACIY-YMAMQOFZSA-N 2 2 322.415 3.056 10 0 DGAELP C[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CCSCC1 ZINC000187037851 432642925 /nfs/dbraw/zinc/64/29/25/432642925.db2.gz LVBQCGSUPYURFC-CRAIPNDOSA-N 2 2 306.519 3.281 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178146381 432698335 /nfs/dbraw/zinc/69/83/35/432698335.db2.gz FUHAGRIQGJPGDP-IEBWSBKVSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178146381 432698338 /nfs/dbraw/zinc/69/83/38/432698338.db2.gz FUHAGRIQGJPGDP-IEBWSBKVSA-N 2 2 304.478 3.446 10 0 DGAELP c1cc2c(cccc2C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)[nH]1 ZINC000236767042 432764251 /nfs/dbraw/zinc/76/42/51/432764251.db2.gz PHCZXVIREUGMRD-UHFFFAOYSA-N 2 2 303.369 3.038 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429151 432829449 /nfs/dbraw/zinc/82/94/49/432829449.db2.gz MXLVIVNATDGOCG-KSSFIOAISA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429151 432829452 /nfs/dbraw/zinc/82/94/52/432829452.db2.gz MXLVIVNATDGOCG-KSSFIOAISA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429151 432829455 /nfs/dbraw/zinc/82/94/55/432829455.db2.gz MXLVIVNATDGOCG-KSSFIOAISA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000245429151 432829456 /nfs/dbraw/zinc/82/94/56/432829456.db2.gz MXLVIVNATDGOCG-KSSFIOAISA-N 2 2 312.461 3.100 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[N@@H+]1Cc1ccccc1 ZINC000189726234 432814050 /nfs/dbraw/zinc/81/40/50/432814050.db2.gz AVVFBMIHOWGIEW-NJAFHUGGSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[N@H+]1Cc1ccccc1 ZINC000189726234 432814053 /nfs/dbraw/zinc/81/40/53/432814053.db2.gz AVVFBMIHOWGIEW-NJAFHUGGSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000163281457 432848530 /nfs/dbraw/zinc/84/85/30/432848530.db2.gz LPNNWVQXAAQOQQ-ZFWWWQNUSA-N 2 2 315.421 3.007 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000163281457 432848534 /nfs/dbraw/zinc/84/85/34/432848534.db2.gz LPNNWVQXAAQOQQ-ZFWWWQNUSA-N 2 2 315.421 3.007 10 0 DGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3COc4ccccc43)c2)c[nH+]1 ZINC000342424472 433683177 /nfs/dbraw/zinc/68/31/77/433683177.db2.gz WEGVGNIFBXSJLQ-CYBMUJFWSA-N 2 2 311.410 3.200 10 0 DGAELP Brc1cscc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370204430 293162986 /nfs/dbraw/zinc/16/29/86/293162986.db2.gz PZVOMOUQVQZNRA-NWDGAFQWSA-N 2 2 315.280 3.227 10 0 DGAELP Brc1cscc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370204430 293162987 /nfs/dbraw/zinc/16/29/87/293162987.db2.gz PZVOMOUQVQZNRA-NWDGAFQWSA-N 2 2 315.280 3.227 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449384223 433740080 /nfs/dbraw/zinc/74/00/80/433740080.db2.gz AKBWEQQDPFVTMC-NZHZHZHDSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449384223 433740090 /nfs/dbraw/zinc/74/00/90/433740090.db2.gz AKBWEQQDPFVTMC-NZHZHZHDSA-N 2 2 322.880 3.180 10 0 DGAELP C[NH+](C)[C@]1(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CCSC1 ZINC000436288667 433927722 /nfs/dbraw/zinc/92/77/22/433927722.db2.gz GKCRZGCRCOSNOF-KURKYZTESA-N 2 2 304.503 3.350 10 0 DGAELP c1cn(-c2cc(CNc3cc[nH+]c4ccsc43)ccn2)c[nH+]1 ZINC000378035176 434062099 /nfs/dbraw/zinc/06/20/99/434062099.db2.gz GNMBNCDOOUZGTM-UHFFFAOYSA-N 2 2 307.382 3.489 10 0 DGAELP c1csc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084182 434158887 /nfs/dbraw/zinc/15/88/87/434158887.db2.gz KVRYVZJCRBGTGE-UKRRQHHQSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084182 434158897 /nfs/dbraw/zinc/15/88/97/434158897.db2.gz KVRYVZJCRBGTGE-UKRRQHHQSA-N 2 2 317.458 3.367 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186545 434185726 /nfs/dbraw/zinc/18/57/26/434185726.db2.gz ZCFVDDPMYSVTIB-GJZGRUSLSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186545 434185738 /nfs/dbraw/zinc/18/57/38/434185738.db2.gz ZCFVDDPMYSVTIB-GJZGRUSLSA-N 2 2 317.458 3.182 10 0 DGAELP C[NH+](C)C1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106948 434213886 /nfs/dbraw/zinc/21/38/86/434213886.db2.gz JIFBLNGOYXVMGN-FUHWJXTLSA-N 2 2 302.462 3.228 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379647907 434257969 /nfs/dbraw/zinc/25/79/69/434257969.db2.gz LHLKWDVJFOUHBG-AEFFLSMTSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379647907 434257973 /nfs/dbraw/zinc/25/79/73/434257973.db2.gz LHLKWDVJFOUHBG-AEFFLSMTSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379647908 434261424 /nfs/dbraw/zinc/26/14/24/434261424.db2.gz LHLKWDVJFOUHBG-FUHWJXTLSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379647908 434261432 /nfs/dbraw/zinc/26/14/32/434261432.db2.gz LHLKWDVJFOUHBG-FUHWJXTLSA-N 2 2 304.478 3.444 10 0 DGAELP Brc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182732 434266553 /nfs/dbraw/zinc/26/65/53/434266553.db2.gz GYVAVTJHQDNNLV-GJZGRUSLSA-N 2 2 309.251 3.242 10 0 DGAELP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182733 434267121 /nfs/dbraw/zinc/26/71/21/434267121.db2.gz GYVAVTJHQDNNLV-HUUCEWRRSA-N 2 2 309.251 3.242 10 0 DGAELP Cc1ncc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)n1 ZINC000358007812 434284062 /nfs/dbraw/zinc/28/40/62/434284062.db2.gz RWAAHKQACRPBOD-AWEZNQCLSA-N 2 2 321.428 3.189 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385993 434285080 /nfs/dbraw/zinc/28/50/80/434285080.db2.gz WQGMMMWMLJLMDP-DOMZBBRYSA-N 2 2 311.267 3.064 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385993 434285085 /nfs/dbraw/zinc/28/50/85/434285085.db2.gz WQGMMMWMLJLMDP-DOMZBBRYSA-N 2 2 311.267 3.064 10 0 DGAELP CC1=CC[NH+](CCN[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173318 434366346 /nfs/dbraw/zinc/36/63/46/434366346.db2.gz WGHLCBQGTWIYNB-QUCCMNQESA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[NH+](CCN[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173318 434366355 /nfs/dbraw/zinc/36/63/55/434366355.db2.gz WGHLCBQGTWIYNB-QUCCMNQESA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@H+](CCN[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173318 434366363 /nfs/dbraw/zinc/36/63/63/434366363.db2.gz WGHLCBQGTWIYNB-QUCCMNQESA-N 2 2 313.489 3.064 10 0 DGAELP CC1=CC[N@@H+](CCN[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000358173318 434366370 /nfs/dbraw/zinc/36/63/70/434366370.db2.gz WGHLCBQGTWIYNB-QUCCMNQESA-N 2 2 313.489 3.064 10 0 DGAELP C[C@H](C[NH2+]Cc1ccsc1Br)C[NH+]1CCCC1 ZINC000388847684 434342020 /nfs/dbraw/zinc/34/20/20/434342020.db2.gz ZYLXEOCONYWWAC-LLVKDONJSA-N 2 2 317.296 3.332 10 0 DGAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868532 434354292 /nfs/dbraw/zinc/35/42/92/434354292.db2.gz NKWJXMDXFGGNRA-UIFIKXQLSA-N 2 2 324.468 3.484 10 0 DGAELP CCOC1CC([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397983955 434448985 /nfs/dbraw/zinc/44/89/85/434448985.db2.gz HZTHTIIWZXVJOV-CTWPCTMYSA-N 2 2 302.462 3.198 10 0 DGAELP CCOC1CC([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397983955 434448991 /nfs/dbraw/zinc/44/89/91/434448991.db2.gz HZTHTIIWZXVJOV-CTWPCTMYSA-N 2 2 302.462 3.198 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000353753776 434403287 /nfs/dbraw/zinc/40/32/87/434403287.db2.gz PGEHZXDQNCMSGF-IBGZPJMESA-N 2 2 311.429 3.265 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000353753776 434403298 /nfs/dbraw/zinc/40/32/98/434403298.db2.gz PGEHZXDQNCMSGF-IBGZPJMESA-N 2 2 311.429 3.265 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400666692 434489337 /nfs/dbraw/zinc/48/93/37/434489337.db2.gz YCDMRTQCIOCGRF-GOSISDBHSA-N 2 2 304.478 3.303 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC[C@@H]1CCOC1 ZINC000400666692 434489346 /nfs/dbraw/zinc/48/93/46/434489346.db2.gz YCDMRTQCIOCGRF-GOSISDBHSA-N 2 2 304.478 3.303 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400642157 434492488 /nfs/dbraw/zinc/49/24/88/434492488.db2.gz PVIJTUIDXBTHIC-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400642157 434492495 /nfs/dbraw/zinc/49/24/95/434492495.db2.gz PVIJTUIDXBTHIC-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398026001 434449862 /nfs/dbraw/zinc/44/98/62/434449862.db2.gz YJAFIMDCIUDFHS-MJGOQNOKSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398026001 434449870 /nfs/dbraw/zinc/44/98/70/434449870.db2.gz YJAFIMDCIUDFHS-MJGOQNOKSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397973109 434452757 /nfs/dbraw/zinc/45/27/57/434452757.db2.gz CGGLCGSCLMFIEI-RTBURBONSA-N 2 2 302.462 3.200 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000397973109 434452764 /nfs/dbraw/zinc/45/27/64/434452764.db2.gz CGGLCGSCLMFIEI-RTBURBONSA-N 2 2 302.462 3.200 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ncc(-c3ccccc3)s1)C2 ZINC000554981607 434956151 /nfs/dbraw/zinc/95/61/51/434956151.db2.gz DTTSTFPTPKPRTM-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CC2 ZINC000554981607 434956156 /nfs/dbraw/zinc/95/61/56/434956156.db2.gz DTTSTFPTPKPRTM-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(N[C@H]3CC4CCC3CC4)c12 ZINC000559341417 435130057 /nfs/dbraw/zinc/13/00/57/435130057.db2.gz CGWCFYIWIZLLIT-ZUEPYMLJSA-N 2 2 320.400 3.201 10 0 DGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000532845339 435194855 /nfs/dbraw/zinc/19/48/55/435194855.db2.gz UVDJHYYLTXCTBO-ZHALLVOQSA-N 2 2 302.462 3.086 10 0 DGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000532845339 435194857 /nfs/dbraw/zinc/19/48/57/435194857.db2.gz UVDJHYYLTXCTBO-ZHALLVOQSA-N 2 2 302.462 3.086 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062426 435201650 /nfs/dbraw/zinc/20/16/50/435201650.db2.gz ZDJUOAANZAYAEV-RLLQIKCJSA-N 3 2 317.521 3.121 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062426 435201656 /nfs/dbraw/zinc/20/16/56/435201656.db2.gz ZDJUOAANZAYAEV-RLLQIKCJSA-N 3 2 317.521 3.121 10 0 DGAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1Br ZINC000657288756 436116143 /nfs/dbraw/zinc/11/61/43/436116143.db2.gz ACMVDXPIMYOEFM-LLVKDONJSA-N 2 2 320.234 3.443 10 0 DGAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Br)c1 ZINC000657299695 436123376 /nfs/dbraw/zinc/12/33/76/436123376.db2.gz XZMWGJMSZPKBCJ-NSHDSACASA-N 2 2 320.234 3.443 10 0 DGAELP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214239 313340961 /nfs/dbraw/zinc/34/09/61/313340961.db2.gz COLMNNJWBHSNDW-HUUCEWRRSA-N 2 2 321.262 3.311 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218281 313341366 /nfs/dbraw/zinc/34/13/66/313341366.db2.gz INKKFMDKJQQLLJ-PKOBYXMFSA-N 2 2 312.457 3.263 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091143 315311933 /nfs/dbraw/zinc/31/19/33/315311933.db2.gz STPVNNRMTKKVRZ-SXLOBPIMSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091143 315311934 /nfs/dbraw/zinc/31/19/34/315311934.db2.gz STPVNNRMTKKVRZ-SXLOBPIMSA-N 3 2 315.505 3.019 10 0 DGAELP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1N ZINC000388627730 1178074888 /nfs/dbraw/zinc/07/48/88/1178074888.db2.gz VAFUAWGNGSQUSS-UHFFFAOYSA-N 2 2 304.265 3.349 10 0 DGAELP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1N ZINC000388627730 1178074892 /nfs/dbraw/zinc/07/48/92/1178074892.db2.gz VAFUAWGNGSQUSS-UHFFFAOYSA-N 2 2 304.265 3.349 10 0 DGAELP CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456268 519833454 /nfs/dbraw/zinc/83/34/54/519833454.db2.gz RAECMFZYFDVRQZ-AWEZNQCLSA-N 2 2 311.433 3.074 10 0 DGAELP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000428211779 528723943 /nfs/dbraw/zinc/72/39/43/528723943.db2.gz YDABGFBLFJVUPC-INIZCTEOSA-N 2 2 305.466 3.099 10 0 DGAELP CCCc1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000428211779 528723949 /nfs/dbraw/zinc/72/39/49/528723949.db2.gz YDABGFBLFJVUPC-INIZCTEOSA-N 2 2 305.466 3.099 10 0 DGAELP CCCc1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000428211779 528723954 /nfs/dbraw/zinc/72/39/54/528723954.db2.gz YDABGFBLFJVUPC-INIZCTEOSA-N 2 2 305.466 3.099 10 0 DGAELP CCCc1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000428211779 528723960 /nfs/dbraw/zinc/72/39/60/528723960.db2.gz YDABGFBLFJVUPC-INIZCTEOSA-N 2 2 305.466 3.099 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448338 546304362 /nfs/dbraw/zinc/30/43/62/546304362.db2.gz FBXLKSQHCBMPTF-LIRRHRJNSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448338 546304364 /nfs/dbraw/zinc/30/43/64/546304364.db2.gz FBXLKSQHCBMPTF-LIRRHRJNSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448338 546304366 /nfs/dbraw/zinc/30/43/66/546304366.db2.gz FBXLKSQHCBMPTF-LIRRHRJNSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448338 546304369 /nfs/dbraw/zinc/30/43/69/546304369.db2.gz FBXLKSQHCBMPTF-LIRRHRJNSA-N 2 2 312.461 3.100 10 0 DGAELP CC[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251574001 546329795 /nfs/dbraw/zinc/32/97/95/546329795.db2.gz BZKUBSFLLSUNSU-BXUZGUMPSA-N 2 2 317.260 3.431 10 0 DGAELP CC[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1[NH3+] ZINC000251574001 546329799 /nfs/dbraw/zinc/32/97/99/546329799.db2.gz BZKUBSFLLSUNSU-BXUZGUMPSA-N 2 2 317.260 3.431 10 0 DGAELP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255491199 546335959 /nfs/dbraw/zinc/33/59/59/546335959.db2.gz VBFPZOUVRNHQTN-BQLWYNFJSA-N 2 2 300.446 3.126 10 0 DGAELP COc1ccccc1/C=C\C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255491199 546335962 /nfs/dbraw/zinc/33/59/62/546335962.db2.gz VBFPZOUVRNHQTN-BQLWYNFJSA-N 2 2 300.446 3.126 10 0 DGAELP c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298859 546470116 /nfs/dbraw/zinc/47/01/16/546470116.db2.gz MAJLKVYOCGMXSO-SJORKVTESA-N 2 2 311.429 3.306 10 0 DGAELP c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298859 546470121 /nfs/dbraw/zinc/47/01/21/546470121.db2.gz MAJLKVYOCGMXSO-SJORKVTESA-N 2 2 311.429 3.306 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321966152 546472503 /nfs/dbraw/zinc/47/25/03/546472503.db2.gz JPOSFULDIXWAED-FUHWJXTLSA-N 2 2 311.429 3.306 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321966152 546472509 /nfs/dbraw/zinc/47/25/09/546472509.db2.gz JPOSFULDIXWAED-FUHWJXTLSA-N 2 2 311.429 3.306 10 0 DGAELP C[C@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747253 660962234 /nfs/dbraw/zinc/96/22/34/660962234.db2.gz RNRDYWCUZQZEMJ-WMZOPIPTSA-N 2 2 324.472 3.218 10 0 DGAELP C[C@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711747253 660962236 /nfs/dbraw/zinc/96/22/36/660962236.db2.gz RNRDYWCUZQZEMJ-WMZOPIPTSA-N 2 2 324.472 3.218 10 0 DGAELP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000261847919 655676289 /nfs/dbraw/zinc/67/62/89/655676289.db2.gz JGAVDKYMFOLYOU-JBBXEZCESA-N 2 2 312.413 3.499 10 0 DGAELP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000261847916 657133965 /nfs/dbraw/zinc/13/39/65/657133965.db2.gz JGAVDKYMFOLYOU-IGNZVWTISA-N 2 2 312.413 3.499 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844695 658148959 /nfs/dbraw/zinc/14/89/59/658148959.db2.gz MORMUTVYPFAJPZ-NWDGAFQWSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000720844695 658148962 /nfs/dbraw/zinc/14/89/62/658148962.db2.gz MORMUTVYPFAJPZ-NWDGAFQWSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720877514 658154301 /nfs/dbraw/zinc/15/43/01/658154301.db2.gz PWCZANHYMUKMOA-IRUJWGPZSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720877514 658154307 /nfs/dbraw/zinc/15/43/07/658154307.db2.gz PWCZANHYMUKMOA-IRUJWGPZSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189883529 661995090 /nfs/dbraw/zinc/99/50/90/661995090.db2.gz DMSWBMVJTVDWQY-BEFAXECRSA-N 2 2 307.397 3.257 10 0 DGAELP C[C@H](CC[NH2+]Cc1cn2ccccc2n1)[N@H+](C)Cc1ccccc1 ZINC000080206514 1197045736 /nfs/dbraw/zinc/04/57/36/1197045736.db2.gz KCDKDZHHUMEOII-QGZVFWFLSA-N 2 2 322.456 3.335 10 0 DGAELP C[C@H](CC[NH2+]Cc1cn2ccccc2n1)[N@@H+](C)Cc1ccccc1 ZINC000080206514 1197045742 /nfs/dbraw/zinc/04/57/42/1197045742.db2.gz KCDKDZHHUMEOII-QGZVFWFLSA-N 2 2 322.456 3.335 10 0 DGAELP c1nn(-c2ccccc2)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000119025707 1200005968 /nfs/dbraw/zinc/00/59/68/1200005968.db2.gz GSLPKYYKDYKTBU-UHFFFAOYSA-N 2 2 321.428 3.249 10 0 DGAELP c1cn(-c2ccccc2C[NH2+]Cc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000236776028 1202624432 /nfs/dbraw/zinc/62/44/32/1202624432.db2.gz NIIOLKLTNFEDMY-UHFFFAOYSA-N 2 2 303.369 3.038 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000172535963 198111411 /nfs/dbraw/zinc/11/14/11/198111411.db2.gz FWPPZJNOPDACFX-CQSZACIVSA-N 2 2 304.463 3.090 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2scnc2C)C1 ZINC000172535963 198111413 /nfs/dbraw/zinc/11/14/13/198111413.db2.gz FWPPZJNOPDACFX-CQSZACIVSA-N 2 2 304.463 3.090 10 0 DGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)nc1 ZINC000179105476 432040984 /nfs/dbraw/zinc/04/09/84/432040984.db2.gz DEQKTJCUFWKAHH-CYBMUJFWSA-N 2 2 316.836 3.450 10 0 DGAELP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nccs1 ZINC000080262729 192018098 /nfs/dbraw/zinc/01/80/98/192018098.db2.gz JKQMMXOXFWPASC-CQSZACIVSA-N 2 2 302.447 3.248 10 0 DGAELP C[C@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133391466 432063436 /nfs/dbraw/zinc/06/34/36/432063436.db2.gz BROHPXFTOSNTND-ZWKOTPCHSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133391466 432063437 /nfs/dbraw/zinc/06/34/37/432063437.db2.gz BROHPXFTOSNTND-ZWKOTPCHSA-N 2 2 318.509 3.106 10 0 DGAELP CCCn1nc(C)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000180120987 199119046 /nfs/dbraw/zinc/11/90/46/199119046.db2.gz UTSLELKOVYODIZ-KRWDZBQOSA-N 2 2 315.465 3.079 10 0 DGAELP CCCn1nc(C)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000180120987 199119047 /nfs/dbraw/zinc/11/90/47/199119047.db2.gz UTSLELKOVYODIZ-KRWDZBQOSA-N 2 2 315.465 3.079 10 0 DGAELP Cc1csc([C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000179962896 432075527 /nfs/dbraw/zinc/07/55/27/432075527.db2.gz QEIVIISRQZKARL-AWEZNQCLSA-N 2 2 312.442 3.479 10 0 DGAELP Cc1csc([C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000179962896 432075529 /nfs/dbraw/zinc/07/55/29/432075529.db2.gz QEIVIISRQZKARL-AWEZNQCLSA-N 2 2 312.442 3.479 10 0 DGAELP CCOC(=O)CCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649907 199190432 /nfs/dbraw/zinc/19/04/32/199190432.db2.gz BNCVITNUYCTIFS-OAHLLOKOSA-N 2 2 315.417 3.256 10 0 DGAELP C[NH+](C)C1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000195310178 201376855 /nfs/dbraw/zinc/37/68/55/201376855.db2.gz MWAQEXQBVWMGQS-UHFFFAOYSA-N 2 2 316.367 3.110 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470382 212354461 /nfs/dbraw/zinc/35/44/61/212354461.db2.gz HQFKMVYRBSYRHS-USNGAOFSSA-N 2 2 315.392 3.082 10 0 DGAELP c1nc(C2CC2)oc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449697143 240374269 /nfs/dbraw/zinc/37/42/69/240374269.db2.gz KFCIBZSZIMHKNH-UHFFFAOYSA-N 2 2 311.429 3.306 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000091961205 193132439 /nfs/dbraw/zinc/13/24/39/193132439.db2.gz HWWRGSNFNQNUMK-BEFAXECRSA-N 2 2 321.428 3.356 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000091961205 193132440 /nfs/dbraw/zinc/13/24/40/193132440.db2.gz HWWRGSNFNQNUMK-BEFAXECRSA-N 2 2 321.428 3.356 10 0 DGAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960524 193132657 /nfs/dbraw/zinc/13/26/57/193132657.db2.gz IYCTWFHJCZJNIE-LVPXMUDFSA-N 2 2 311.429 3.488 10 0 DGAELP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091960524 193132659 /nfs/dbraw/zinc/13/26/59/193132659.db2.gz IYCTWFHJCZJNIE-LVPXMUDFSA-N 2 2 311.429 3.488 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404822 193246096 /nfs/dbraw/zinc/24/60/96/193246096.db2.gz ZLBACMTYPAFJDM-WMZOPIPTSA-N 2 2 320.477 3.155 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404822 193246097 /nfs/dbraw/zinc/24/60/97/193246097.db2.gz ZLBACMTYPAFJDM-WMZOPIPTSA-N 2 2 320.477 3.155 10 0 DGAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597654 193272120 /nfs/dbraw/zinc/27/21/20/193272120.db2.gz VBFPZOUVRNHQTN-DBWMJRBXSA-N 2 2 300.446 3.126 10 0 DGAELP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597654 193272121 /nfs/dbraw/zinc/27/21/21/193272121.db2.gz VBFPZOUVRNHQTN-DBWMJRBXSA-N 2 2 300.446 3.126 10 0 DGAELP O[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020209201 182197590 /nfs/dbraw/zinc/19/75/90/182197590.db2.gz QJZWVCLKLNBFCH-IEJDHCNXSA-N 2 2 314.473 3.011 10 0 DGAELP O[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020209201 182197592 /nfs/dbraw/zinc/19/75/92/182197592.db2.gz QJZWVCLKLNBFCH-IEJDHCNXSA-N 2 2 314.473 3.011 10 0 DGAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000022210695 182313218 /nfs/dbraw/zinc/31/32/18/182313218.db2.gz REOCPOGYHNGHJV-NSHDSACASA-N 2 2 301.228 3.306 10 0 DGAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000022210695 182313221 /nfs/dbraw/zinc/31/32/21/182313221.db2.gz REOCPOGYHNGHJV-NSHDSACASA-N 2 2 301.228 3.306 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246588713 432146643 /nfs/dbraw/zinc/14/66/43/432146643.db2.gz FTZYIOKZBZQHEX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246588713 432146645 /nfs/dbraw/zinc/14/66/45/432146645.db2.gz FTZYIOKZBZQHEX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246588713 432146649 /nfs/dbraw/zinc/14/66/49/432146649.db2.gz FTZYIOKZBZQHEX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246588713 432146653 /nfs/dbraw/zinc/14/66/53/432146653.db2.gz FTZYIOKZBZQHEX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@H](C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1)[NH+](C)C ZINC000038088609 182987814 /nfs/dbraw/zinc/98/78/14/182987814.db2.gz QKVWDGREKYTPSA-QWHCGFSZSA-N 2 2 300.393 3.149 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000106216636 194190892 /nfs/dbraw/zinc/19/08/92/194190892.db2.gz QJKORUBDGOSXHD-HNNXBMFYSA-N 2 2 317.408 3.430 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000106216636 194190895 /nfs/dbraw/zinc/19/08/95/194190895.db2.gz QJKORUBDGOSXHD-HNNXBMFYSA-N 2 2 317.408 3.430 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000120485925 195175884 /nfs/dbraw/zinc/17/58/84/195175884.db2.gz CMZXSVPIZGULCD-UHFFFAOYSA-N 2 2 305.372 3.153 10 0 DGAELP Cc1ccsc1C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328636203 400184135 /nfs/dbraw/zinc/18/41/35/400184135.db2.gz NYEBLOFEKJFUSU-MRXNPFEDSA-N 2 2 301.459 3.063 10 0 DGAELP Cc1ccsc1C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328636203 400184140 /nfs/dbraw/zinc/18/41/40/400184140.db2.gz NYEBLOFEKJFUSU-MRXNPFEDSA-N 2 2 301.459 3.063 10 0 DGAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000399083624 400288122 /nfs/dbraw/zinc/28/81/22/400288122.db2.gz SYDOKCPOGJRJAH-NSHDSACASA-N 2 2 317.260 3.101 10 0 DGAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000399063618 400288264 /nfs/dbraw/zinc/28/82/64/400288264.db2.gz LVAWFOJASRKBTI-NSHDSACASA-N 2 2 317.260 3.101 10 0 DGAELP CC[NH+](CC)[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000603808612 400717283 /nfs/dbraw/zinc/71/72/83/400717283.db2.gz FWNRKTLHCRJODN-GOSISDBHSA-N 2 2 322.412 3.356 10 0 DGAELP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000358314119 286029014 /nfs/dbraw/zinc/02/90/14/286029014.db2.gz FDNCURYSGVFYLG-OAHLLOKOSA-N 2 2 309.404 3.214 10 0 DGAELP CC(C)n1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000608069328 401180506 /nfs/dbraw/zinc/18/05/06/401180506.db2.gz BQDXLJDLDINTDC-GOSISDBHSA-N 2 2 323.444 3.271 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CCCC34CC4)c12 ZINC000630384667 401255437 /nfs/dbraw/zinc/25/54/37/401255437.db2.gz CSMBJMIWGXWPLN-ZDUSSCGKSA-N 2 2 320.400 3.203 10 0 DGAELP c1cn(-c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cc2)c[nH+]1 ZINC000631253968 401438624 /nfs/dbraw/zinc/43/86/24/401438624.db2.gz MPVCSUGZZOKSHC-RTBURBONSA-N 2 2 311.429 3.310 10 0 DGAELP c1nc2c(s1)CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000623863267 401590008 /nfs/dbraw/zinc/59/00/08/401590008.db2.gz NSRCMDXNZDDUNP-AWEZNQCLSA-N 2 2 314.458 3.174 10 0 DGAELP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000360983956 286569172 /nfs/dbraw/zinc/56/91/72/286569172.db2.gz OXNIEWQCSJLWKB-UHFFFAOYSA-N 2 2 323.444 3.307 10 0 DGAELP c1cn(CCCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)c[nH+]1 ZINC000361072015 286590474 /nfs/dbraw/zinc/59/04/74/286590474.db2.gz DKFPUNSBBVTXBO-UHFFFAOYSA-N 2 2 314.433 3.441 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000246898307 292369161 /nfs/dbraw/zinc/36/91/61/292369161.db2.gz FCNSGVYVXAWLLI-RVKKMQEKSA-N 2 2 300.446 3.424 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000246898307 292369162 /nfs/dbraw/zinc/36/91/62/292369162.db2.gz FCNSGVYVXAWLLI-RVKKMQEKSA-N 2 2 300.446 3.424 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000364437472 287026392 /nfs/dbraw/zinc/02/63/92/287026392.db2.gz ARCHHHQLDIAZFH-NZSAHSFTSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000364437472 287026394 /nfs/dbraw/zinc/02/63/94/287026394.db2.gz ARCHHHQLDIAZFH-NZSAHSFTSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000187893489 165104335 /nfs/dbraw/zinc/10/43/35/165104335.db2.gz DOZMPWXQPFTXLW-HNNXBMFYSA-N 2 2 302.466 3.090 10 0 DGAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000191490639 165255121 /nfs/dbraw/zinc/25/51/21/165255121.db2.gz DWGKZOHNHYWWIQ-GOSISDBHSA-N 2 2 311.429 3.337 10 0 DGAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(OCC3CC3)cc2)c[nH+]1 ZINC000191490639 165255126 /nfs/dbraw/zinc/25/51/26/165255126.db2.gz DWGKZOHNHYWWIQ-GOSISDBHSA-N 2 2 311.429 3.337 10 0 DGAELP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccco1 ZINC000192177060 165285540 /nfs/dbraw/zinc/28/55/40/165285540.db2.gz FVMXXUUHKDBSLX-KRWDZBQOSA-N 2 2 311.385 3.251 10 0 DGAELP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606612 287142042 /nfs/dbraw/zinc/14/20/42/287142042.db2.gz JVMBIIMITYZCDV-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193606612 287142043 /nfs/dbraw/zinc/14/20/43/287142043.db2.gz JVMBIIMITYZCDV-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H](c1cccc(Br)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193606612 287142044 /nfs/dbraw/zinc/14/20/44/287142044.db2.gz JVMBIIMITYZCDV-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H](c1cccc(Br)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193606612 287142045 /nfs/dbraw/zinc/14/20/45/287142045.db2.gz JVMBIIMITYZCDV-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000129258472 196032987 /nfs/dbraw/zinc/03/29/87/196032987.db2.gz LRGVUDZGHVBERY-KGLIPLIRSA-N 2 2 324.350 3.478 10 0 DGAELP c1coc(-c2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)c1 ZINC000171645109 432154532 /nfs/dbraw/zinc/15/45/32/432154532.db2.gz PHMWVGFBLKMDHE-AWEZNQCLSA-N 2 2 324.384 3.264 10 0 DGAELP c1coc(-c2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)no2)c1 ZINC000171645109 432154533 /nfs/dbraw/zinc/15/45/33/432154533.db2.gz PHMWVGFBLKMDHE-AWEZNQCLSA-N 2 2 324.384 3.264 10 0 DGAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000182148106 432162170 /nfs/dbraw/zinc/16/21/70/432162170.db2.gz VVXPBPZVXLUPEY-CVEARBPZSA-N 2 2 321.465 3.060 10 0 DGAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000182148106 432162173 /nfs/dbraw/zinc/16/21/73/432162173.db2.gz VVXPBPZVXLUPEY-CVEARBPZSA-N 2 2 321.465 3.060 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130667968 196099434 /nfs/dbraw/zinc/09/94/34/196099434.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130667968 196099435 /nfs/dbraw/zinc/09/94/35/196099435.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130667968 196099437 /nfs/dbraw/zinc/09/94/37/196099437.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CC[NH+]1C ZINC000130667968 196099439 /nfs/dbraw/zinc/09/94/39/196099439.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 2 316.367 3.500 10 0 DGAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000247264750 432216671 /nfs/dbraw/zinc/21/66/71/432216671.db2.gz XTPJQLABJSNBTD-RDHHWEPZSA-N 2 2 324.509 3.205 10 0 DGAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000247264750 432216676 /nfs/dbraw/zinc/21/66/76/432216676.db2.gz XTPJQLABJSNBTD-RDHHWEPZSA-N 2 2 324.509 3.205 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000346489921 264040785 /nfs/dbraw/zinc/04/07/85/264040785.db2.gz OCJUNLCKFCIJEV-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000346489921 264040789 /nfs/dbraw/zinc/04/07/89/264040789.db2.gz OCJUNLCKFCIJEV-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000346489928 264041111 /nfs/dbraw/zinc/04/11/11/264041111.db2.gz OCJUNLCKFCIJEV-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000346489928 264041113 /nfs/dbraw/zinc/04/11/13/264041113.db2.gz OCJUNLCKFCIJEV-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334506 432238260 /nfs/dbraw/zinc/23/82/60/432238260.db2.gz VDHJQDNQDPZONB-OLZOCXBDSA-N 2 2 316.898 3.289 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191259621 432240553 /nfs/dbraw/zinc/24/05/53/432240553.db2.gz VQDJXZHVRBXPEC-WCQYABFASA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191259621 432240557 /nfs/dbraw/zinc/24/05/57/432240557.db2.gz VQDJXZHVRBXPEC-WCQYABFASA-N 2 2 302.871 3.163 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@H]2CCCOc3ccccc32)c[nH+]1 ZINC000151520762 432253390 /nfs/dbraw/zinc/25/33/90/432253390.db2.gz MWCJQGRYQGWSOJ-KRWDZBQOSA-N 2 2 320.396 3.271 10 0 DGAELP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423571514 273473064 /nfs/dbraw/zinc/47/30/64/273473064.db2.gz XQNGHLANPLEKGY-GXSJLCMTSA-N 2 2 315.280 3.230 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248795447 274521604 /nfs/dbraw/zinc/52/16/04/274521604.db2.gz JELIKIRXDJSUEU-POZUXBRTSA-N 2 2 311.429 3.481 10 0 DGAELP [NH3+][C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000108479099 431144711 /nfs/dbraw/zinc/14/47/11/431144711.db2.gz LVRFBBPCNSGUFR-MOPGFXCFSA-N 2 2 321.399 3.301 10 0 DGAELP [NH3+][C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@H]1c1ccc(F)cc1 ZINC000108479099 431144719 /nfs/dbraw/zinc/14/47/19/431144719.db2.gz LVRFBBPCNSGUFR-MOPGFXCFSA-N 2 2 321.399 3.301 10 0 DGAELP CCN(Cc1ccc(C[NH+](C)C)cc1)c1cc[nH+]c(C2CC2)n1 ZINC000112555471 431284640 /nfs/dbraw/zinc/28/46/40/431284640.db2.gz IJQPAEQDBGAUOT-UHFFFAOYSA-N 2 2 310.445 3.442 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000122920707 431848873 /nfs/dbraw/zinc/84/88/73/431848873.db2.gz UVMUHRWMAMPNGQ-OAHLLOKOSA-N 2 2 315.465 3.303 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452129 431865751 /nfs/dbraw/zinc/86/57/51/431865751.db2.gz FGSYYKLRFRTYPK-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@H+]1C ZINC000123452129 431865753 /nfs/dbraw/zinc/86/57/53/431865753.db2.gz FGSYYKLRFRTYPK-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452129 431865756 /nfs/dbraw/zinc/86/57/56/431865756.db2.gz FGSYYKLRFRTYPK-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452129 431865758 /nfs/dbraw/zinc/86/57/58/431865758.db2.gz FGSYYKLRFRTYPK-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP Cc1ccccc1CCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000084677164 431831320 /nfs/dbraw/zinc/83/13/20/431831320.db2.gz LWZUQPDWDNBCFS-GOSISDBHSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1ccccc1CCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000084677164 431831326 /nfs/dbraw/zinc/83/13/26/431831326.db2.gz LWZUQPDWDNBCFS-GOSISDBHSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123940680 431878593 /nfs/dbraw/zinc/87/85/93/431878593.db2.gz WAMCDWQNBQXUBG-OCCSQVGLSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123940680 431878596 /nfs/dbraw/zinc/87/85/96/431878596.db2.gz WAMCDWQNBQXUBG-OCCSQVGLSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123940680 431878597 /nfs/dbraw/zinc/87/85/97/431878597.db2.gz WAMCDWQNBQXUBG-OCCSQVGLSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123940680 431878600 /nfs/dbraw/zinc/87/86/00/431878600.db2.gz WAMCDWQNBQXUBG-OCCSQVGLSA-N 2 2 323.868 3.001 10 0 DGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(Br)c1 ZINC000124448045 431894854 /nfs/dbraw/zinc/89/48/54/431894854.db2.gz QNVURXZCHPQSTP-UHFFFAOYSA-N 2 2 314.252 3.229 10 0 DGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(Br)c1 ZINC000124448045 431894856 /nfs/dbraw/zinc/89/48/56/431894856.db2.gz QNVURXZCHPQSTP-UHFFFAOYSA-N 2 2 314.252 3.229 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000101907591 431990385 /nfs/dbraw/zinc/99/03/85/431990385.db2.gz LCIPZGWXFNMUMY-FUHWJXTLSA-N 2 2 312.461 3.078 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000101907591 431990388 /nfs/dbraw/zinc/99/03/88/431990388.db2.gz LCIPZGWXFNMUMY-FUHWJXTLSA-N 2 2 312.461 3.078 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173380050 432276318 /nfs/dbraw/zinc/27/63/18/432276318.db2.gz DLPATZYHEVAJMG-GOEBONIOSA-N 2 2 308.491 3.170 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173380050 432276322 /nfs/dbraw/zinc/27/63/22/432276322.db2.gz DLPATZYHEVAJMG-GOEBONIOSA-N 2 2 308.491 3.170 10 0 DGAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000248542418 432298168 /nfs/dbraw/zinc/29/81/68/432298168.db2.gz CMSZYPKFNXXYPA-ZWKOTPCHSA-N 2 2 304.503 3.382 10 0 DGAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCCSC1)C1CC1 ZINC000248542418 432298172 /nfs/dbraw/zinc/29/81/72/432298172.db2.gz CMSZYPKFNXXYPA-ZWKOTPCHSA-N 2 2 304.503 3.382 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccncc3Cl)C2)[nH+]1 ZINC000173780199 432299824 /nfs/dbraw/zinc/29/98/24/432299824.db2.gz BGVIGMIRQPITBP-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)[nH+]1 ZINC000173780199 432299828 /nfs/dbraw/zinc/29/98/28/432299828.db2.gz BGVIGMIRQPITBP-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248828502 432321830 /nfs/dbraw/zinc/32/18/30/432321830.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248828502 432321834 /nfs/dbraw/zinc/32/18/34/432321834.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828502 432321837 /nfs/dbraw/zinc/32/18/37/432321837.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828502 432321841 /nfs/dbraw/zinc/32/18/41/432321841.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 3 2 312.461 3.095 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000252802724 432388777 /nfs/dbraw/zinc/38/87/77/432388777.db2.gz PLXGZVDKWGSADV-BDJLRTHQSA-N 2 2 309.335 3.384 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000252802724 432388783 /nfs/dbraw/zinc/38/87/83/432388783.db2.gz PLXGZVDKWGSADV-BDJLRTHQSA-N 2 2 309.335 3.384 10 0 DGAELP FC(F)(F)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000261785962 432450053 /nfs/dbraw/zinc/45/00/53/432450053.db2.gz FVFGXWNLQTUIQL-NSHDSACASA-N 2 2 319.396 3.126 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832060 432454616 /nfs/dbraw/zinc/45/46/16/432454616.db2.gz BUHSMVIEOWCLLQ-OCCSQVGLSA-N 2 2 303.381 3.040 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261832060 432454620 /nfs/dbraw/zinc/45/46/20/432454620.db2.gz BUHSMVIEOWCLLQ-OCCSQVGLSA-N 2 2 303.381 3.040 10 0 DGAELP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2[nH+]1 ZINC000262681649 432497120 /nfs/dbraw/zinc/49/71/20/432497120.db2.gz WDIXAFWTODQKQN-STQMWFEESA-N 2 2 314.433 3.362 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186618700 432614708 /nfs/dbraw/zinc/61/47/08/432614708.db2.gz WBZLBUXDCJACIY-NRXISQOPSA-N 2 2 322.415 3.056 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186618700 432614711 /nfs/dbraw/zinc/61/47/11/432614711.db2.gz WBZLBUXDCJACIY-NRXISQOPSA-N 2 2 322.415 3.056 10 0 DGAELP COc1cccc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000177208922 432597427 /nfs/dbraw/zinc/59/74/27/432597427.db2.gz MGGGZSWLAHLKMW-CQSZACIVSA-N 2 2 308.385 3.127 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000178323868 432720544 /nfs/dbraw/zinc/72/05/44/432720544.db2.gz YYKLJPQTIWWWGB-GOSISDBHSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000178323868 432720546 /nfs/dbraw/zinc/72/05/46/432720546.db2.gz YYKLJPQTIWWWGB-GOSISDBHSA-N 2 2 306.413 3.404 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187812100 432685988 /nfs/dbraw/zinc/68/59/88/432685988.db2.gz RROKGVVXYFHNSW-WMLDXEAASA-N 2 2 310.869 3.144 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187812100 432685992 /nfs/dbraw/zinc/68/59/92/432685992.db2.gz RROKGVVXYFHNSW-WMLDXEAASA-N 2 2 310.869 3.144 10 0 DGAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000187821007 432686468 /nfs/dbraw/zinc/68/64/68/432686468.db2.gz YZEOUQOHRMEUQH-GOEBONIOSA-N 2 2 318.486 3.399 10 0 DGAELP Cc1n[nH]cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738251 432860089 /nfs/dbraw/zinc/86/00/89/432860089.db2.gz LFZOMICZQTUDST-HNAYVOBHSA-N 2 2 312.461 3.203 10 0 DGAELP Cc1n[nH]cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738251 432860092 /nfs/dbraw/zinc/86/00/92/432860092.db2.gz LFZOMICZQTUDST-HNAYVOBHSA-N 2 2 312.461 3.203 10 0 DGAELP Cc1n[nH]cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738251 432860094 /nfs/dbraw/zinc/86/00/94/432860094.db2.gz LFZOMICZQTUDST-HNAYVOBHSA-N 2 2 312.461 3.203 10 0 DGAELP Cc1n[nH]cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738251 432860096 /nfs/dbraw/zinc/86/00/96/432860096.db2.gz LFZOMICZQTUDST-HNAYVOBHSA-N 2 2 312.461 3.203 10 0 DGAELP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245813737 432863751 /nfs/dbraw/zinc/86/37/51/432863751.db2.gz CUVRWEZHSDYFHM-HOTGVXAUSA-N 2 2 313.445 3.444 10 0 DGAELP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245813737 432863754 /nfs/dbraw/zinc/86/37/54/432863754.db2.gz CUVRWEZHSDYFHM-HOTGVXAUSA-N 2 2 313.445 3.444 10 0 DGAELP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000245861173 432866410 /nfs/dbraw/zinc/86/64/10/432866410.db2.gz OTSFUZQBSNEKON-GOEBONIOSA-N 2 2 311.385 3.015 10 0 DGAELP O[C@H](C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000245861173 432866411 /nfs/dbraw/zinc/86/64/11/432866411.db2.gz OTSFUZQBSNEKON-GOEBONIOSA-N 2 2 311.385 3.015 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072228 432842575 /nfs/dbraw/zinc/84/25/75/432842575.db2.gz CXKRCYVRMSBNNZ-KRWDZBQOSA-N 3 2 315.465 3.068 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072228 432842579 /nfs/dbraw/zinc/84/25/79/432842579.db2.gz CXKRCYVRMSBNNZ-KRWDZBQOSA-N 3 2 315.465 3.068 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000163171051 432844634 /nfs/dbraw/zinc/84/46/34/432844634.db2.gz NAROPWOKBWEKEQ-OAHLLOKOSA-N 2 2 302.447 3.190 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000163171051 432844635 /nfs/dbraw/zinc/84/46/35/432844635.db2.gz NAROPWOKBWEKEQ-OAHLLOKOSA-N 2 2 302.447 3.190 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000163268218 432848147 /nfs/dbraw/zinc/84/81/47/432848147.db2.gz BUARILSOBNRFQV-GDBMZVCRSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000163268218 432848149 /nfs/dbraw/zinc/84/81/49/432848149.db2.gz BUARILSOBNRFQV-GDBMZVCRSA-N 2 2 324.465 3.063 10 0 DGAELP CCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245684789 432855873 /nfs/dbraw/zinc/85/58/73/432855873.db2.gz AJMSENPUIJIXPO-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245684789 432855875 /nfs/dbraw/zinc/85/58/75/432855875.db2.gz AJMSENPUIJIXPO-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245684789 432855877 /nfs/dbraw/zinc/85/58/77/432855877.db2.gz AJMSENPUIJIXPO-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000245684789 432855879 /nfs/dbraw/zinc/85/58/79/432855879.db2.gz AJMSENPUIJIXPO-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP c1cn(CCCNc2[nH+]cccc2OCc2ccccc2)c[nH+]1 ZINC000354528160 433132461 /nfs/dbraw/zinc/13/24/61/433132461.db2.gz RLWYVSKNZXPNNT-UHFFFAOYSA-N 2 2 308.385 3.359 10 0 DGAELP c1cn(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)c[nH+]1 ZINC000425425321 433239141 /nfs/dbraw/zinc/23/91/41/433239141.db2.gz QREIGPBQYWHXKT-UHFFFAOYSA-N 2 2 319.412 3.177 10 0 DGAELP COc1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000361928115 433452286 /nfs/dbraw/zinc/45/22/86/433452286.db2.gz VDSKQDIEHWLOSH-OAHLLOKOSA-N 2 2 322.412 3.169 10 0 DGAELP Cc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000162939898 292860769 /nfs/dbraw/zinc/86/07/69/292860769.db2.gz BKTJMODPAMZAKI-GFCCVEGCSA-N 2 2 320.356 3.285 10 0 DGAELP c1cn(-c2csc(C[NH2+]CCCCC[NH+]3CCCC3)c2)c[nH+]1 ZINC000339496575 433621356 /nfs/dbraw/zinc/62/13/56/433621356.db2.gz CJYIUBANZHQKOY-UHFFFAOYSA-N 3 2 318.490 3.290 10 0 DGAELP Cc1nocc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000293212958 433658429 /nfs/dbraw/zinc/65/84/29/433658429.db2.gz JMPMGFZWKWSAHS-GOSISDBHSA-N 2 2 313.445 3.373 10 0 DGAELP Cc1nocc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000293212958 433658438 /nfs/dbraw/zinc/65/84/38/433658438.db2.gz JMPMGFZWKWSAHS-GOSISDBHSA-N 2 2 313.445 3.373 10 0 DGAELP Cc1cc[nH+]c(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC000301650369 433658718 /nfs/dbraw/zinc/65/87/18/433658718.db2.gz RUGVTKSLYCXGRC-GASCZTMLSA-N 2 2 312.417 3.011 10 0 DGAELP Cc1cccc(N2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)[nH+]1 ZINC000301860698 433761239 /nfs/dbraw/zinc/76/12/39/433761239.db2.gz FRDPCXHDDUSVMT-UHFFFAOYSA-N 2 2 307.401 3.347 10 0 DGAELP C[NH+](C)[C@]1(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CCSC1 ZINC000436288665 433927798 /nfs/dbraw/zinc/92/77/98/433927798.db2.gz GKCRZGCRCOSNOF-BZSNNMDCSA-N 2 2 304.503 3.350 10 0 DGAELP c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377773345 433991383 /nfs/dbraw/zinc/99/13/83/433991383.db2.gz GTIVZPNFRZYKJM-CYBMUJFWSA-N 2 2 309.369 3.442 10 0 DGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1sccc1Br ZINC000313255104 434125547 /nfs/dbraw/zinc/12/55/47/434125547.db2.gz QWKVNHFRCIRUOW-VIFPVBQESA-N 2 2 314.252 3.137 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)CC1CCCC1 ZINC000511033863 294399689 /nfs/dbraw/zinc/39/96/89/294399689.db2.gz BGIIJLNFLCIPQF-AHRSYUTCSA-N 2 2 316.489 3.038 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)CC1CCCC1 ZINC000511033863 294399692 /nfs/dbraw/zinc/39/96/92/294399692.db2.gz BGIIJLNFLCIPQF-AHRSYUTCSA-N 2 2 316.489 3.038 10 0 DGAELP c1c[nH]c([C@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000346208805 434203557 /nfs/dbraw/zinc/20/35/57/434203557.db2.gz NCULYCXYXPNSPR-OAHLLOKOSA-N 2 2 313.430 3.384 10 0 DGAELP c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000346208805 434203564 /nfs/dbraw/zinc/20/35/64/434203564.db2.gz NCULYCXYXPNSPR-OAHLLOKOSA-N 2 2 313.430 3.384 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C2 ZINC000353614530 434270550 /nfs/dbraw/zinc/27/05/50/434270550.db2.gz XXWBMDJFWYGTFM-HFTRVMKXSA-N 2 2 311.429 3.025 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)CC2 ZINC000353614530 434270562 /nfs/dbraw/zinc/27/05/62/434270562.db2.gz XXWBMDJFWYGTFM-HFTRVMKXSA-N 2 2 311.429 3.025 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C2 ZINC000353615104 434271296 /nfs/dbraw/zinc/27/12/96/434271296.db2.gz XXWBMDJFWYGTFM-LESCRADOSA-N 2 2 311.429 3.025 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CC2 ZINC000353615104 434271306 /nfs/dbraw/zinc/27/13/06/434271306.db2.gz XXWBMDJFWYGTFM-LESCRADOSA-N 2 2 311.429 3.025 10 0 DGAELP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnns2)CC1 ZINC000450494390 434224397 /nfs/dbraw/zinc/22/43/97/434224397.db2.gz LKHVKDHYFBOMDM-CQSZACIVSA-N 2 2 308.495 3.015 10 0 DGAELP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnns2)CC1 ZINC000450494390 434224407 /nfs/dbraw/zinc/22/44/07/434224407.db2.gz LKHVKDHYFBOMDM-CQSZACIVSA-N 2 2 308.495 3.015 10 0 DGAELP C[N@H+](Cc1ccc(Br)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000383296072 434282716 /nfs/dbraw/zinc/28/27/16/434282716.db2.gz NYSJRTYCYBYDJM-LBPRGKRZSA-N 2 2 315.280 3.037 10 0 DGAELP C[N@@H+](Cc1ccc(Br)s1)[C@H]1C[NH+]2CCC1CC2 ZINC000383296072 434282723 /nfs/dbraw/zinc/28/27/23/434282723.db2.gz NYSJRTYCYBYDJM-LBPRGKRZSA-N 2 2 315.280 3.037 10 0 DGAELP CC(C)C1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390579000 434362005 /nfs/dbraw/zinc/36/20/05/434362005.db2.gz PUTDOUGBYXUHQJ-SOAGJPPSSA-N 2 2 316.489 3.302 10 0 DGAELP CC(C)C1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390579000 434362010 /nfs/dbraw/zinc/36/20/10/434362010.db2.gz PUTDOUGBYXUHQJ-SOAGJPPSSA-N 2 2 316.489 3.302 10 0 DGAELP Brc1sccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000388516437 434335122 /nfs/dbraw/zinc/33/51/22/434335122.db2.gz UUUDAWCIIZXYNU-UHFFFAOYSA-N 2 2 303.269 3.086 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397873142 434444106 /nfs/dbraw/zinc/44/41/06/434444106.db2.gz IYQXKUNCLCSEHG-ROUUACIJSA-N 2 2 304.503 3.384 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000397873142 434444115 /nfs/dbraw/zinc/44/41/15/434444115.db2.gz IYQXKUNCLCSEHG-ROUUACIJSA-N 2 2 304.503 3.384 10 0 DGAELP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CO1 ZINC000397951834 434444255 /nfs/dbraw/zinc/44/42/55/434444255.db2.gz PQHJMUBEPODQEK-HKUYNNGSSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CO1 ZINC000397951834 434444267 /nfs/dbraw/zinc/44/42/67/434444267.db2.gz PQHJMUBEPODQEK-HKUYNNGSSA-N 2 2 302.462 3.198 10 0 DGAELP COC[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000397972186 434449767 /nfs/dbraw/zinc/44/97/67/434449767.db2.gz BVZHTTGDEGJTAA-MOPGFXCFSA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000397972186 434449771 /nfs/dbraw/zinc/44/97/71/434449771.db2.gz BVZHTTGDEGJTAA-MOPGFXCFSA-N 2 2 304.478 3.302 10 0 DGAELP C[C@@]1(C[NH2+][C@H]2CCCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397973105 434453016 /nfs/dbraw/zinc/45/30/16/434453016.db2.gz CGGLCGSCLMFIEI-OALUTQOASA-N 2 2 302.462 3.200 10 0 DGAELP C[C@@]1(C[NH2+][C@H]2CCCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000397973105 434453025 /nfs/dbraw/zinc/45/30/25/434453025.db2.gz CGGLCGSCLMFIEI-OALUTQOASA-N 2 2 302.462 3.200 10 0 DGAELP c1cc([C@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n[nH]1 ZINC000348712725 434458081 /nfs/dbraw/zinc/45/80/81/434458081.db2.gz JKGZEUGJRNIFCM-MRXNPFEDSA-N 2 2 313.430 3.384 10 0 DGAELP c1cc([C@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n[nH]1 ZINC000348712725 434458091 /nfs/dbraw/zinc/45/80/91/434458091.db2.gz JKGZEUGJRNIFCM-MRXNPFEDSA-N 2 2 313.430 3.384 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000527804503 295133309 /nfs/dbraw/zinc/13/33/09/295133309.db2.gz QKAXMAQGIPNGPA-BNIPCRSQSA-N 2 2 302.462 3.051 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000527804503 295133310 /nfs/dbraw/zinc/13/33/10/295133310.db2.gz QKAXMAQGIPNGPA-BNIPCRSQSA-N 2 2 302.462 3.051 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004246 295165071 /nfs/dbraw/zinc/16/50/71/295165071.db2.gz WHLAMUBYSXMRLR-GDBMZVCRSA-N 2 2 309.457 3.242 10 0 DGAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004246 295165072 /nfs/dbraw/zinc/16/50/72/295165072.db2.gz WHLAMUBYSXMRLR-GDBMZVCRSA-N 2 2 309.457 3.242 10 0 DGAELP c1[nH+]cn2cc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc12 ZINC000459657300 434651499 /nfs/dbraw/zinc/65/14/99/434651499.db2.gz HQBXPWZCDMNJOW-UHFFFAOYSA-N 3 2 312.461 3.221 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)C2 ZINC000554982885 434956308 /nfs/dbraw/zinc/95/63/08/434956308.db2.gz UVVVQWJGDWQQSS-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)CC2 ZINC000554982885 434956311 /nfs/dbraw/zinc/95/63/11/434956311.db2.gz UVVVQWJGDWQQSS-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[nH+]c2ccccn12 ZINC000462799566 434929339 /nfs/dbraw/zinc/92/93/39/434929339.db2.gz ZNUAMDKIERUUBK-GVDBMIGSSA-N 2 2 313.445 3.062 10 0 DGAELP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000531722445 435112568 /nfs/dbraw/zinc/11/25/68/435112568.db2.gz BJLQHUJRUKHHJC-KXBFYZLASA-N 2 2 313.445 3.237 10 0 DGAELP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000531722445 435112571 /nfs/dbraw/zinc/11/25/71/435112571.db2.gz BJLQHUJRUKHHJC-KXBFYZLASA-N 2 2 313.445 3.237 10 0 DGAELP CCc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000531722442 435112645 /nfs/dbraw/zinc/11/26/45/435112645.db2.gz BJLQHUJRUKHHJC-BEFAXECRSA-N 2 2 313.445 3.237 10 0 DGAELP CCc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000531722442 435112647 /nfs/dbraw/zinc/11/26/47/435112647.db2.gz BJLQHUJRUKHHJC-BEFAXECRSA-N 2 2 313.445 3.237 10 0 DGAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059029 435701525 /nfs/dbraw/zinc/70/15/25/435701525.db2.gz QSAXFSPHELAQQM-ROUUACIJSA-N 2 2 324.509 3.306 10 0 DGAELP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059029 435701528 /nfs/dbraw/zinc/70/15/28/435701528.db2.gz QSAXFSPHELAQQM-ROUUACIJSA-N 2 2 324.509 3.306 10 0 DGAELP c1cn(CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000535087445 313699417 /nfs/dbraw/zinc/69/94/17/313699417.db2.gz HEHRAGJUJUVRCS-HKUYNNGSSA-N 2 2 313.445 3.421 10 0 DGAELP COc1cc(C)[nH+]c(CN[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000309688474 533700931 /nfs/dbraw/zinc/70/09/31/533700931.db2.gz CGEKSBUZFBPVCC-MRXNPFEDSA-N 2 2 313.445 3.009 10 0 DGAELP COc1cc(C)[nH+]c(CN[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000309688474 533700939 /nfs/dbraw/zinc/70/09/39/533700939.db2.gz CGEKSBUZFBPVCC-MRXNPFEDSA-N 2 2 313.445 3.009 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CC3CC3)CC1)n2C1CC1 ZINC000544942255 314217816 /nfs/dbraw/zinc/21/78/16/314217816.db2.gz IJESBAFHOBRODK-UHFFFAOYSA-N 2 2 324.472 3.335 10 0 DGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000566501206 315354198 /nfs/dbraw/zinc/35/41/98/315354198.db2.gz PHUQKPHVJRYBRW-RTBURBONSA-N 2 2 314.473 3.200 10 0 DGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000566501206 315354201 /nfs/dbraw/zinc/35/42/01/315354201.db2.gz PHUQKPHVJRYBRW-RTBURBONSA-N 2 2 314.473 3.200 10 0 DGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH+]1 ZINC000180035437 323220523 /nfs/dbraw/zinc/22/05/23/323220523.db2.gz PVMFHSQOBLZALQ-MRXNPFEDSA-N 2 2 321.380 3.400 10 0 DGAELP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH+]1 ZINC000180035437 323220525 /nfs/dbraw/zinc/22/05/25/323220525.db2.gz PVMFHSQOBLZALQ-MRXNPFEDSA-N 2 2 321.380 3.400 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096296 323325187 /nfs/dbraw/zinc/32/51/87/323325187.db2.gz ZJUKGXDMRVYDDT-YJBOKZPZSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000183096296 323325189 /nfs/dbraw/zinc/32/51/89/323325189.db2.gz ZJUKGXDMRVYDDT-YJBOKZPZSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096296 323325192 /nfs/dbraw/zinc/32/51/92/323325192.db2.gz ZJUKGXDMRVYDDT-YJBOKZPZSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096296 323325196 /nfs/dbraw/zinc/32/51/96/323325196.db2.gz ZJUKGXDMRVYDDT-YJBOKZPZSA-N 2 2 318.509 3.382 10 0 DGAELP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085870 546469013 /nfs/dbraw/zinc/46/90/13/546469013.db2.gz SRTXMYDOGPAWPE-SJLPKXTDSA-N 2 2 311.429 3.306 10 0 DGAELP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)noc1-c1ccccc1 ZINC000321085870 546469016 /nfs/dbraw/zinc/46/90/16/546469016.db2.gz SRTXMYDOGPAWPE-SJLPKXTDSA-N 2 2 311.429 3.306 10 0 DGAELP C[N@@H+]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000675075142 548149634 /nfs/dbraw/zinc/14/96/34/548149634.db2.gz LJLCQBAOZKBEHE-CYBMUJFWSA-N 2 2 315.230 3.018 10 0 DGAELP C[N@H+]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C(C)(C)C1 ZINC000675075142 548149638 /nfs/dbraw/zinc/14/96/38/548149638.db2.gz LJLCQBAOZKBEHE-CYBMUJFWSA-N 2 2 315.230 3.018 10 0 DGAELP c1cn(-c2ccc(CNc3cc[nH+]c4ccccc34)cc2)c[nH+]1 ZINC000731992700 574564663 /nfs/dbraw/zinc/56/46/63/574564663.db2.gz OTELTFYKAVFJDC-UHFFFAOYSA-N 2 2 300.365 3.455 10 0 DGAELP Clc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(Cl)n1 ZINC000735871044 574720296 /nfs/dbraw/zinc/72/02/96/574720296.db2.gz VAHUGRKFRSKGBG-UHFFFAOYSA-N 2 2 311.216 3.491 10 0 DGAELP Cc1ncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000742386726 574995410 /nfs/dbraw/zinc/99/54/10/574995410.db2.gz ADKLHYGWCXBJQZ-INIZCTEOSA-N 2 2 312.442 3.259 10 0 DGAELP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1(C)CC1 ZINC000122353382 622300112 /nfs/dbraw/zinc/30/01/12/622300112.db2.gz VMVGBWJLFWXLNJ-HNNXBMFYSA-N 2 2 301.478 3.500 10 0 DGAELP CCC[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000261750191 657076418 /nfs/dbraw/zinc/07/64/18/657076418.db2.gz ORPBTRNOYNGOTM-UHFFFAOYSA-N 2 2 317.477 3.213 10 0 DGAELP CCC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000261750191 657076424 /nfs/dbraw/zinc/07/64/24/657076424.db2.gz ORPBTRNOYNGOTM-UHFFFAOYSA-N 2 2 317.477 3.213 10 0 DGAELP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720878818 658156181 /nfs/dbraw/zinc/15/61/81/658156181.db2.gz UOVJVOWWAFOWKE-YPMHNXCESA-N 2 2 306.759 3.217 10 0 DGAELP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720878818 658156186 /nfs/dbraw/zinc/15/61/86/658156186.db2.gz UOVJVOWWAFOWKE-YPMHNXCESA-N 2 2 306.759 3.217 10 0 DGAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000718081307 662222021 /nfs/dbraw/zinc/22/20/21/662222021.db2.gz ZGLCRDTVSOHZLS-GPJFCIFZSA-N 2 2 316.489 3.180 10 0 DGAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC(C)(O)CC1)C1CC1 ZINC000718081307 662222024 /nfs/dbraw/zinc/22/20/24/662222024.db2.gz ZGLCRDTVSOHZLS-GPJFCIFZSA-N 2 2 316.489 3.180 10 0 DGAELP CC(C)(C)n1cc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000078847547 1196803190 /nfs/dbraw/zinc/80/31/90/1196803190.db2.gz FCPILXUAJBBBMB-UHFFFAOYSA-N 2 2 301.438 3.015 10 0 DGAELP c1cn(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)c[nH+]1 ZINC000092659331 185332125 /nfs/dbraw/zinc/33/21/25/185332125.db2.gz SWYQLXNUCUTYEF-UHFFFAOYSA-N 2 2 307.401 3.110 10 0 DGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CC=CCC3)CCC[NH+]2C)cn1 ZINC000328652363 529962828 /nfs/dbraw/zinc/96/28/28/529962828.db2.gz WKFKVMWMUDOGHM-JENIJYKNSA-N 2 2 316.493 3.091 10 0 DGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CC=CCC3)CCC[NH+]2C)cn1 ZINC000328652363 529962829 /nfs/dbraw/zinc/96/28/29/529962829.db2.gz WKFKVMWMUDOGHM-JENIJYKNSA-N 2 2 316.493 3.091 10 0 DGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CC=CCC3)CCC[N@@H+]2C)cn1 ZINC000328652363 529962830 /nfs/dbraw/zinc/96/28/30/529962830.db2.gz WKFKVMWMUDOGHM-JENIJYKNSA-N 2 2 316.493 3.091 10 0 DGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CC=CCC3)CCC[N@H+]2C)cn1 ZINC000328652363 529962831 /nfs/dbraw/zinc/96/28/31/529962831.db2.gz WKFKVMWMUDOGHM-JENIJYKNSA-N 2 2 316.493 3.091 10 0 DGAELP CCc1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456157 190896552 /nfs/dbraw/zinc/89/65/52/190896552.db2.gz YUMXDOILSIKYKU-UHFFFAOYSA-N 2 2 314.408 3.020 10 0 DGAELP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nccs1 ZINC000080262726 192017621 /nfs/dbraw/zinc/01/76/21/192017621.db2.gz JKQMMXOXFWPASC-AWEZNQCLSA-N 2 2 302.447 3.248 10 0 DGAELP COCc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000179221123 199000195 /nfs/dbraw/zinc/00/01/95/199000195.db2.gz WSVGBBLTSFJQNI-GOSISDBHSA-N 2 2 311.429 3.162 10 0 DGAELP COCc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000179221123 199000196 /nfs/dbraw/zinc/00/01/96/199000196.db2.gz WSVGBBLTSFJQNI-GOSISDBHSA-N 2 2 311.429 3.162 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883960 199091446 /nfs/dbraw/zinc/09/14/46/199091446.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883960 199091447 /nfs/dbraw/zinc/09/14/47/199091447.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883960 199091448 /nfs/dbraw/zinc/09/14/48/199091448.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883960 199091449 /nfs/dbraw/zinc/09/14/49/199091449.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883960 199091450 /nfs/dbraw/zinc/09/14/50/199091450.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883960 199091451 /nfs/dbraw/zinc/09/14/51/199091451.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883960 199091452 /nfs/dbraw/zinc/09/14/52/199091452.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883960 199091453 /nfs/dbraw/zinc/09/14/53/199091453.db2.gz GSVWPSCOQUIMJC-CRAIPNDOSA-N 2 2 312.461 3.239 10 0 DGAELP c1cn(CC[NH2+]C2c3ccccc3CCc3ccccc32)c[nH+]1 ZINC000179992398 199103969 /nfs/dbraw/zinc/10/39/69/199103969.db2.gz AIZZAHCBQAXHFW-UHFFFAOYSA-N 2 2 303.409 3.361 10 0 DGAELP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180127574 199120200 /nfs/dbraw/zinc/12/02/00/199120200.db2.gz PYVKCXFYAPSDMM-MOTZXUDYSA-N 2 2 311.429 3.378 10 0 DGAELP COc1ccccc1/C=C/C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180127574 199120201 /nfs/dbraw/zinc/12/02/01/199120201.db2.gz PYVKCXFYAPSDMM-MOTZXUDYSA-N 2 2 311.429 3.378 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423109 199157842 /nfs/dbraw/zinc/15/78/42/199157842.db2.gz SXSVARFTDXMOAN-GXTWGEPZSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000180423109 199157844 /nfs/dbraw/zinc/15/78/44/199157844.db2.gz SXSVARFTDXMOAN-GXTWGEPZSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423109 199157846 /nfs/dbraw/zinc/15/78/46/199157846.db2.gz SXSVARFTDXMOAN-GXTWGEPZSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423109 199157848 /nfs/dbraw/zinc/15/78/48/199157848.db2.gz SXSVARFTDXMOAN-GXTWGEPZSA-N 2 2 318.490 3.188 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000187673357 200142554 /nfs/dbraw/zinc/14/25/54/200142554.db2.gz UNTGOUWMHDTSLY-INIZCTEOSA-N 2 2 310.445 3.100 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194514989 201241748 /nfs/dbraw/zinc/24/17/48/201241748.db2.gz SFWBSBVTDDAKPZ-CYBMUJFWSA-N 2 2 301.261 3.419 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000194514989 201241750 /nfs/dbraw/zinc/24/17/50/201241750.db2.gz SFWBSBVTDDAKPZ-CYBMUJFWSA-N 2 2 301.261 3.419 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000093644467 193280337 /nfs/dbraw/zinc/28/03/37/193280337.db2.gz ANXXWZAZTZOPKH-DYVFJYSZSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000093644467 193280339 /nfs/dbraw/zinc/28/03/39/193280339.db2.gz ANXXWZAZTZOPKH-DYVFJYSZSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644467 193280341 /nfs/dbraw/zinc/28/03/41/193280341.db2.gz ANXXWZAZTZOPKH-DYVFJYSZSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644467 193280343 /nfs/dbraw/zinc/28/03/43/193280343.db2.gz ANXXWZAZTZOPKH-DYVFJYSZSA-N 2 2 316.424 3.130 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597732 193272790 /nfs/dbraw/zinc/27/27/90/193272790.db2.gz VYKNTIFCIZUQIW-CQSZACIVSA-N 2 2 324.900 3.115 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597732 193272792 /nfs/dbraw/zinc/27/27/92/193272792.db2.gz VYKNTIFCIZUQIW-CQSZACIVSA-N 2 2 324.900 3.115 10 0 DGAELP C[C@@](C[NH3+])(CCc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000019807746 182153018 /nfs/dbraw/zinc/15/30/18/182153018.db2.gz OVGSGGUQFCIJDZ-SFHVURJKSA-N 2 2 300.471 3.456 10 0 DGAELP C[C@@](C[NH3+])(CCc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000019807746 182153019 /nfs/dbraw/zinc/15/30/19/182153019.db2.gz OVGSGGUQFCIJDZ-SFHVURJKSA-N 2 2 300.471 3.456 10 0 DGAELP C[C@@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019946491 182168366 /nfs/dbraw/zinc/16/83/66/182168366.db2.gz NITWHDMVYNCARB-ABAIWWIYSA-N 2 2 309.251 3.194 10 0 DGAELP CC1CC[NH+]([C@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)CC1 ZINC000019997864 182175997 /nfs/dbraw/zinc/17/59/97/182175997.db2.gz UUJYBHCLGNDESS-CQSZACIVSA-N 2 2 302.340 3.317 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494841782 246199716 /nfs/dbraw/zinc/19/97/16/246199716.db2.gz HEXXFVYMAGEOPL-IBGZPJMESA-N 2 2 304.478 3.303 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494841782 246199719 /nfs/dbraw/zinc/19/97/19/246199719.db2.gz HEXXFVYMAGEOPL-IBGZPJMESA-N 2 2 304.478 3.303 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246573045 432145013 /nfs/dbraw/zinc/14/50/13/432145013.db2.gz DZHWBTXODHPWSG-DZGCQCFKSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246573045 432145017 /nfs/dbraw/zinc/14/50/17/432145017.db2.gz DZHWBTXODHPWSG-DZGCQCFKSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246573045 432145023 /nfs/dbraw/zinc/14/50/23/432145023.db2.gz DZHWBTXODHPWSG-DZGCQCFKSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246573045 432145026 /nfs/dbraw/zinc/14/50/26/432145026.db2.gz DZHWBTXODHPWSG-DZGCQCFKSA-N 2 2 318.440 3.110 10 0 DGAELP CC(C)CN(CC(C)C)c1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687541 183118064 /nfs/dbraw/zinc/11/80/64/183118064.db2.gz IJBSSHBYQLZUJR-UHFFFAOYSA-N 2 2 314.437 3.316 10 0 DGAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042555944 183284699 /nfs/dbraw/zinc/28/46/99/183284699.db2.gz BIMOPGIEMFKDIZ-NSHDSACASA-N 2 2 301.228 3.162 10 0 DGAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042555944 183284701 /nfs/dbraw/zinc/28/47/01/183284701.db2.gz BIMOPGIEMFKDIZ-NSHDSACASA-N 2 2 301.228 3.162 10 0 DGAELP C[C@@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1)C(C)(C)C ZINC000042742319 183304681 /nfs/dbraw/zinc/30/46/81/183304681.db2.gz VLXBCTCVQLRNJY-ZJUUUORDSA-N 2 2 303.244 3.408 10 0 DGAELP C[C@@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1)C(C)(C)C ZINC000042742319 183304683 /nfs/dbraw/zinc/30/46/83/183304683.db2.gz VLXBCTCVQLRNJY-ZJUUUORDSA-N 2 2 303.244 3.408 10 0 DGAELP C[C@@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863131 194149529 /nfs/dbraw/zinc/14/95/29/194149529.db2.gz QXIALFLQFCGJPR-KRWDZBQOSA-N 2 2 312.461 3.041 10 0 DGAELP C[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863131 194149531 /nfs/dbraw/zinc/14/95/31/194149531.db2.gz QXIALFLQFCGJPR-KRWDZBQOSA-N 2 2 312.461 3.041 10 0 DGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000105875821 194152895 /nfs/dbraw/zinc/15/28/95/194152895.db2.gz GQSRUJCFWONREE-UHFFFAOYSA-N 2 2 310.401 3.016 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000105897889 194163136 /nfs/dbraw/zinc/16/31/36/194163136.db2.gz FNSHFMVDTLVSBI-HNNXBMFYSA-N 2 2 323.444 3.169 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000105897889 194163138 /nfs/dbraw/zinc/16/31/38/194163138.db2.gz FNSHFMVDTLVSBI-HNNXBMFYSA-N 2 2 323.444 3.169 10 0 DGAELP COC[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000152961147 533090920 /nfs/dbraw/zinc/09/09/20/533090920.db2.gz HICXRQCAXXEPNH-RBUKOAKNSA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000152961147 533090925 /nfs/dbraw/zinc/09/09/25/533090925.db2.gz HICXRQCAXXEPNH-RBUKOAKNSA-N 2 2 302.462 3.056 10 0 DGAELP c1cn(CCC[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)c[nH+]1 ZINC000287323282 285240216 /nfs/dbraw/zinc/24/02/16/285240216.db2.gz KCAOGOZVEQLZJN-HNNXBMFYSA-N 2 2 315.421 3.151 10 0 DGAELP c1cn(CCC[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)c[nH+]1 ZINC000287323282 285240217 /nfs/dbraw/zinc/24/02/17/285240217.db2.gz KCAOGOZVEQLZJN-HNNXBMFYSA-N 2 2 315.421 3.151 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629476 195205378 /nfs/dbraw/zinc/20/53/78/195205378.db2.gz SFWUWNBETQTETJ-ROUUACIJSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629476 195205379 /nfs/dbraw/zinc/20/53/79/195205379.db2.gz SFWUWNBETQTETJ-ROUUACIJSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629476 195205381 /nfs/dbraw/zinc/20/53/81/195205381.db2.gz SFWUWNBETQTETJ-ROUUACIJSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000120629476 195205383 /nfs/dbraw/zinc/20/53/83/195205383.db2.gz SFWUWNBETQTETJ-ROUUACIJSA-N 2 2 318.509 3.380 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000341410990 285485481 /nfs/dbraw/zinc/48/54/81/285485481.db2.gz VTRIBYHTPFHVNY-YESZJQIVSA-N 2 2 303.450 3.069 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616620452 400186820 /nfs/dbraw/zinc/18/68/20/400186820.db2.gz KMPJKMYJUQFCGI-CQSZACIVSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616620452 400186824 /nfs/dbraw/zinc/18/68/24/400186824.db2.gz KMPJKMYJUQFCGI-CQSZACIVSA-N 2 2 319.449 3.172 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cncc2ccccc21 ZINC000616680643 400201511 /nfs/dbraw/zinc/20/15/11/400201511.db2.gz NMALQVAWKALVQD-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cncc2ccccc21 ZINC000616680643 400201515 /nfs/dbraw/zinc/20/15/15/400201515.db2.gz NMALQVAWKALVQD-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP CC1=CCN(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000358224341 286002866 /nfs/dbraw/zinc/00/28/66/286002866.db2.gz MFRMJAHFEGRERI-KRWDZBQOSA-N 2 2 310.445 3.175 10 0 DGAELP CC(C)n1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000608069329 401180135 /nfs/dbraw/zinc/18/01/35/401180135.db2.gz BQDXLJDLDINTDC-SFHVURJKSA-N 2 2 323.444 3.271 10 0 DGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H](c3cccnc3)C3CC3)CC2)nc1 ZINC000358371846 286043896 /nfs/dbraw/zinc/04/38/96/286043896.db2.gz AWIGSDSRBLJELG-HXUWFJFHSA-N 2 2 322.456 3.182 10 0 DGAELP c1ccc(-c2ccccc2OCC[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634995569 401397418 /nfs/dbraw/zinc/39/74/18/401397418.db2.gz ISGKKIJUSXGRJT-UHFFFAOYSA-N 2 2 308.425 3.074 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000628225761 401553687 /nfs/dbraw/zinc/55/36/87/401553687.db2.gz MNWRWEYJYBVQSA-RDTXWAMCSA-N 2 2 313.445 3.434 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000628225761 401553690 /nfs/dbraw/zinc/55/36/90/401553690.db2.gz MNWRWEYJYBVQSA-RDTXWAMCSA-N 2 2 313.445 3.434 10 0 DGAELP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000188781914 165138211 /nfs/dbraw/zinc/13/82/11/165138211.db2.gz WFOWSILHEITCJX-IOJLRTSASA-N 2 2 316.489 3.098 10 0 DGAELP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000188781914 165138215 /nfs/dbraw/zinc/13/82/15/165138215.db2.gz WFOWSILHEITCJX-IOJLRTSASA-N 2 2 316.489 3.098 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH+]c1 ZINC000365074951 287094582 /nfs/dbraw/zinc/09/45/82/287094582.db2.gz XRCPGIGYCFGIRE-IXDOHACOSA-N 2 2 303.450 3.069 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224570319 165381704 /nfs/dbraw/zinc/38/17/04/165381704.db2.gz OAXRRZIZZQFITG-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000224570319 165381705 /nfs/dbraw/zinc/38/17/05/165381705.db2.gz OAXRRZIZZQFITG-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000171614439 432152496 /nfs/dbraw/zinc/15/24/96/432152496.db2.gz XCPGASGROOKRIP-KRWDZBQOSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000171614439 432152499 /nfs/dbraw/zinc/15/24/99/432152499.db2.gz XCPGASGROOKRIP-KRWDZBQOSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000171614731 432151264 /nfs/dbraw/zinc/15/12/64/432151264.db2.gz BRKNHMSKUUXGIE-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000171614731 432151269 /nfs/dbraw/zinc/15/12/69/432151269.db2.gz BRKNHMSKUUXGIE-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246857227 432174798 /nfs/dbraw/zinc/17/47/98/432174798.db2.gz BUARILSOBNRFQV-HOCLYGCPSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246857227 432174801 /nfs/dbraw/zinc/17/48/01/432174801.db2.gz BUARILSOBNRFQV-HOCLYGCPSA-N 2 2 324.465 3.063 10 0 DGAELP Clc1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000299749315 229391466 /nfs/dbraw/zinc/39/14/66/229391466.db2.gz JXLZNNYCEZVPKT-OAHLLOKOSA-N 2 2 316.836 3.257 10 0 DGAELP Clc1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000299749315 229391469 /nfs/dbraw/zinc/39/14/69/229391469.db2.gz JXLZNNYCEZVPKT-OAHLLOKOSA-N 2 2 316.836 3.257 10 0 DGAELP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000347331292 264197810 /nfs/dbraw/zinc/19/78/10/264197810.db2.gz GKKSHTZUHSJROY-NEPXVJNWSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000347331292 264197812 /nfs/dbraw/zinc/19/78/12/264197812.db2.gz GKKSHTZUHSJROY-NEPXVJNWSA-N 2 2 302.462 3.054 10 0 DGAELP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151309304 432236079 /nfs/dbraw/zinc/23/60/79/432236079.db2.gz DPACBYZWCPDLKB-HOTGVXAUSA-N 2 2 310.507 3.272 10 0 DGAELP CCC[NH+]1CCC([N@H+](C)Cc2nc3cc(F)ccc3o2)CC1 ZINC000151332927 432237616 /nfs/dbraw/zinc/23/76/16/432237616.db2.gz PALFVNKJRSOJTO-UHFFFAOYSA-N 2 2 305.397 3.273 10 0 DGAELP CCC[NH+]1CCC([N@@H+](C)Cc2nc3cc(F)ccc3o2)CC1 ZINC000151332927 432237618 /nfs/dbraw/zinc/23/76/18/432237618.db2.gz PALFVNKJRSOJTO-UHFFFAOYSA-N 2 2 305.397 3.273 10 0 DGAELP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CC2 ZINC000151494891 432250217 /nfs/dbraw/zinc/25/02/17/432250217.db2.gz AWDVHFDPIDMOCT-GOSISDBHSA-N 2 2 320.396 3.053 10 0 DGAELP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CC2 ZINC000151514772 432252403 /nfs/dbraw/zinc/25/24/03/432252403.db2.gz LSQIZTCJRGHHFR-KRWDZBQOSA-N 2 2 308.360 3.184 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000183096868 432257301 /nfs/dbraw/zinc/25/73/01/432257301.db2.gz FQHRYZBVVUEVMQ-ZIAGYGMSSA-N 2 2 309.417 3.326 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043414 278091459 /nfs/dbraw/zinc/09/14/59/278091459.db2.gz HJRFEQHXJNBWOZ-UKRRQHHQSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043414 278091461 /nfs/dbraw/zinc/09/14/61/278091461.db2.gz HJRFEQHXJNBWOZ-UKRRQHHQSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043414 278091465 /nfs/dbraw/zinc/09/14/65/278091465.db2.gz HJRFEQHXJNBWOZ-UKRRQHHQSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043414 278091466 /nfs/dbraw/zinc/09/14/66/278091466.db2.gz HJRFEQHXJNBWOZ-UKRRQHHQSA-N 2 2 324.900 3.113 10 0 DGAELP CC[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122859278 431846961 /nfs/dbraw/zinc/84/69/61/431846961.db2.gz BZKUBSFLLSUNSU-FZMZJTMJSA-N 2 2 317.260 3.431 10 0 DGAELP CC[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000122859278 431846963 /nfs/dbraw/zinc/84/69/63/431846963.db2.gz BZKUBSFLLSUNSU-FZMZJTMJSA-N 2 2 317.260 3.431 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000122963349 431851091 /nfs/dbraw/zinc/85/10/91/431851091.db2.gz LERANWIYUZWXOO-INIZCTEOSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000122963349 431851093 /nfs/dbraw/zinc/85/10/93/431851093.db2.gz LERANWIYUZWXOO-INIZCTEOSA-N 2 2 323.444 3.239 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916523 431851432 /nfs/dbraw/zinc/85/14/32/431851432.db2.gz NXSHHFUTMAZNLR-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916523 431851435 /nfs/dbraw/zinc/85/14/35/431851435.db2.gz NXSHHFUTMAZNLR-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123861820 431877205 /nfs/dbraw/zinc/87/72/05/431877205.db2.gz DPUPMNHHJTXWJX-MNOVXSKESA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)s2)CC[N@H+]1C ZINC000123861820 431877207 /nfs/dbraw/zinc/87/72/07/431877207.db2.gz DPUPMNHHJTXWJX-MNOVXSKESA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123861820 431877210 /nfs/dbraw/zinc/87/72/10/431877210.db2.gz DPUPMNHHJTXWJX-MNOVXSKESA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123861820 431877212 /nfs/dbraw/zinc/87/72/12/431877212.db2.gz DPUPMNHHJTXWJX-MNOVXSKESA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958063 431879504 /nfs/dbraw/zinc/87/95/04/431879504.db2.gz WQMRHLDCXPDITO-TZMCWYRMSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958063 431879507 /nfs/dbraw/zinc/87/95/07/431879507.db2.gz WQMRHLDCXPDITO-TZMCWYRMSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958063 431879509 /nfs/dbraw/zinc/87/95/09/431879509.db2.gz WQMRHLDCXPDITO-TZMCWYRMSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958063 431879511 /nfs/dbraw/zinc/87/95/11/431879511.db2.gz WQMRHLDCXPDITO-TZMCWYRMSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123989458 431880697 /nfs/dbraw/zinc/88/06/97/431880697.db2.gz VVKUWFPWZJTGMX-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000123989458 431880699 /nfs/dbraw/zinc/88/06/99/431880699.db2.gz VVKUWFPWZJTGMX-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123989458 431880701 /nfs/dbraw/zinc/88/07/01/431880701.db2.gz VVKUWFPWZJTGMX-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123989458 431880703 /nfs/dbraw/zinc/88/07/03/431880703.db2.gz VVKUWFPWZJTGMX-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C(=C/c1ccco1)\C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055088395 431976631 /nfs/dbraw/zinc/97/66/31/431976631.db2.gz PPQGARIFYJYLHN-DAFODLJHSA-N 2 2 322.412 3.477 10 0 DGAELP C(=C/c1ccco1)\C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055088395 431976634 /nfs/dbraw/zinc/97/66/34/431976634.db2.gz PPQGARIFYJYLHN-DAFODLJHSA-N 2 2 322.412 3.477 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000173522315 432284528 /nfs/dbraw/zinc/28/45/28/432284528.db2.gz NZDLLTWSBDHXOS-UHFFFAOYSA-N 2 2 316.367 3.154 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664830 432264664 /nfs/dbraw/zinc/26/46/64/432264664.db2.gz SCRGAPXZPTVNLB-IUODEOHRSA-N 2 2 305.397 3.129 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664830 432264666 /nfs/dbraw/zinc/26/46/66/432264666.db2.gz SCRGAPXZPTVNLB-IUODEOHRSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664830 432264669 /nfs/dbraw/zinc/26/46/69/432264669.db2.gz SCRGAPXZPTVNLB-IUODEOHRSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc(F)ccc3o2)[C@H](C)C1 ZINC000151664830 432264670 /nfs/dbraw/zinc/26/46/70/432264670.db2.gz SCRGAPXZPTVNLB-IUODEOHRSA-N 2 2 305.397 3.129 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000192009377 432323582 /nfs/dbraw/zinc/32/35/82/432323582.db2.gz PMANJPNCOMGLGL-CABCVRRESA-N 2 2 321.465 3.203 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000192009377 432323584 /nfs/dbraw/zinc/32/35/84/432323584.db2.gz PMANJPNCOMGLGL-CABCVRRESA-N 2 2 321.465 3.203 10 0 DGAELP CCC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115353 432340290 /nfs/dbraw/zinc/34/02/90/432340290.db2.gz WGTJZNZPYCMJDF-FUHWJXTLSA-N 2 2 302.462 3.341 10 0 DGAELP CCC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115353 432340293 /nfs/dbraw/zinc/34/02/93/432340293.db2.gz WGTJZNZPYCMJDF-FUHWJXTLSA-N 2 2 302.462 3.341 10 0 DGAELP CCC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115353 432340295 /nfs/dbraw/zinc/34/02/95/432340295.db2.gz WGTJZNZPYCMJDF-FUHWJXTLSA-N 2 2 302.462 3.341 10 0 DGAELP CCC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115353 432340297 /nfs/dbraw/zinc/34/02/97/432340297.db2.gz WGTJZNZPYCMJDF-FUHWJXTLSA-N 2 2 302.462 3.341 10 0 DGAELP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000249286973 432344723 /nfs/dbraw/zinc/34/47/23/432344723.db2.gz LUHGARSGVSARET-VHKYSDTDSA-N 2 2 319.408 3.181 10 0 DGAELP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192287132 432354063 /nfs/dbraw/zinc/35/40/63/432354063.db2.gz AHXGSSSZGYJOGU-IYBDPMFKSA-N 2 2 313.445 3.442 10 0 DGAELP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cocn3)cc2)C1 ZINC000192287132 432354067 /nfs/dbraw/zinc/35/40/67/432354067.db2.gz AHXGSSSZGYJOGU-IYBDPMFKSA-N 2 2 313.445 3.442 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146849 432387298 /nfs/dbraw/zinc/38/72/98/432387298.db2.gz ZHIFUHUIYRJCMR-AAEUAGOBSA-N 2 2 315.255 3.204 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146849 432387301 /nfs/dbraw/zinc/38/73/01/432387301.db2.gz ZHIFUHUIYRJCMR-AAEUAGOBSA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146849 432387306 /nfs/dbraw/zinc/38/73/06/432387306.db2.gz ZHIFUHUIYRJCMR-AAEUAGOBSA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146849 432387310 /nfs/dbraw/zinc/38/73/10/432387310.db2.gz ZHIFUHUIYRJCMR-AAEUAGOBSA-N 2 2 315.255 3.204 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146851 432387822 /nfs/dbraw/zinc/38/78/22/432387822.db2.gz ZHIFUHUIYRJCMR-WCQYABFASA-N 2 2 315.255 3.204 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146851 432387826 /nfs/dbraw/zinc/38/78/26/432387826.db2.gz ZHIFUHUIYRJCMR-WCQYABFASA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146851 432387827 /nfs/dbraw/zinc/38/78/27/432387827.db2.gz ZHIFUHUIYRJCMR-WCQYABFASA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)o2)[C@@H](C)C1 ZINC000253146851 432387831 /nfs/dbraw/zinc/38/78/31/432387831.db2.gz ZHIFUHUIYRJCMR-WCQYABFASA-N 2 2 315.255 3.204 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780712 432370888 /nfs/dbraw/zinc/37/08/88/432370888.db2.gz YIYQYTMLGWURAW-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780712 432370892 /nfs/dbraw/zinc/37/08/92/432370892.db2.gz YIYQYTMLGWURAW-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780712 432370895 /nfs/dbraw/zinc/37/08/95/432370895.db2.gz YIYQYTMLGWURAW-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780712 432370899 /nfs/dbraw/zinc/37/08/99/432370899.db2.gz YIYQYTMLGWURAW-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP Cc1cc(Br)cc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261642469 432437947 /nfs/dbraw/zinc/43/79/47/432437947.db2.gz AKSXAKIZTHOMJX-CYBMUJFWSA-N 2 2 323.278 3.115 10 0 DGAELP Cc1cc(Br)cc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261642469 432437951 /nfs/dbraw/zinc/43/79/51/432437951.db2.gz AKSXAKIZTHOMJX-CYBMUJFWSA-N 2 2 323.278 3.115 10 0 DGAELP CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261869951 432455809 /nfs/dbraw/zinc/45/58/09/432455809.db2.gz XFHLHGSLBOOIBB-OAHLLOKOSA-N 2 2 314.433 3.163 10 0 DGAELP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261869951 432455811 /nfs/dbraw/zinc/45/58/11/432455811.db2.gz XFHLHGSLBOOIBB-OAHLLOKOSA-N 2 2 314.433 3.163 10 0 DGAELP C[N@H+](Cc1ccc(F)cc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262126982 432475893 /nfs/dbraw/zinc/47/58/93/432475893.db2.gz XTIUITFHJBPKDP-AWEZNQCLSA-N 2 2 315.230 3.020 10 0 DGAELP C[N@@H+](Cc1ccc(F)cc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262126982 432475896 /nfs/dbraw/zinc/47/58/96/432475896.db2.gz XTIUITFHJBPKDP-AWEZNQCLSA-N 2 2 315.230 3.020 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000193809328 432501031 /nfs/dbraw/zinc/50/10/31/432501031.db2.gz HUBRZOSXWNDOSA-UHFFFAOYSA-N 2 2 302.462 3.340 10 0 DGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000154542190 432506203 /nfs/dbraw/zinc/50/62/03/432506203.db2.gz IGPBRJMPQYHAMN-YPMHNXCESA-N 2 2 314.376 3.041 10 0 DGAELP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OC(F)F ZINC000154542190 432506206 /nfs/dbraw/zinc/50/62/06/432506206.db2.gz IGPBRJMPQYHAMN-YPMHNXCESA-N 2 2 314.376 3.041 10 0 DGAELP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)C[NH+]1CCOCC1 ZINC000177357620 432615984 /nfs/dbraw/zinc/61/59/84/432615984.db2.gz LPQITOQCYGDMPV-IRXDYDNUSA-N 2 2 312.457 3.459 10 0 DGAELP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177746804 432657388 /nfs/dbraw/zinc/65/73/88/432657388.db2.gz HQRRIKKNFJYOLS-AWEZNQCLSA-N 2 2 323.444 3.116 10 0 DGAELP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178124671 432696943 /nfs/dbraw/zinc/69/69/43/432696943.db2.gz RFWJRXLYLXLPSC-KBPBESRZSA-N 2 2 309.417 3.326 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000178322513 432720854 /nfs/dbraw/zinc/72/08/54/432720854.db2.gz VVPWFRBNAUSEDH-JSGCOSHPSA-N 2 2 317.437 3.098 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000178322513 432720857 /nfs/dbraw/zinc/72/08/57/432720857.db2.gz VVPWFRBNAUSEDH-JSGCOSHPSA-N 2 2 317.437 3.098 10 0 DGAELP CCc1cc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc(C)[nH+]1 ZINC000275726714 432745656 /nfs/dbraw/zinc/74/56/56/432745656.db2.gz UJKAHTVYMKOWIF-INIZCTEOSA-N 2 2 311.433 3.291 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000163281369 432848265 /nfs/dbraw/zinc/84/82/65/432848265.db2.gz LPNNWVQXAAQOQQ-HIFRSBDPSA-N 2 2 315.421 3.007 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000163281369 432848267 /nfs/dbraw/zinc/84/82/67/432848267.db2.gz LPNNWVQXAAQOQQ-HIFRSBDPSA-N 2 2 315.421 3.007 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cc(F)ccc1F ZINC000163320707 432849984 /nfs/dbraw/zinc/84/99/84/432849984.db2.gz OMFGGYDRNSYYQI-WMLDXEAASA-N 2 2 312.404 3.116 10 0 DGAELP CCN(CC)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000245713102 432857800 /nfs/dbraw/zinc/85/78/00/432857800.db2.gz GJWOZOAYTPZMOC-GOEBONIOSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000245713102 432857803 /nfs/dbraw/zinc/85/78/03/432857803.db2.gz GJWOZOAYTPZMOC-GOEBONIOSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000245713102 432857804 /nfs/dbraw/zinc/85/78/04/432857804.db2.gz GJWOZOAYTPZMOC-GOEBONIOSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000245713102 432857807 /nfs/dbraw/zinc/85/78/07/432857807.db2.gz GJWOZOAYTPZMOC-GOEBONIOSA-N 2 2 324.538 3.151 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000341472945 433078463 /nfs/dbraw/zinc/07/84/63/433078463.db2.gz AXWLSKOTBURNBW-WOCWXWTJSA-N 2 2 316.489 3.443 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000341472945 433078475 /nfs/dbraw/zinc/07/84/75/433078475.db2.gz AXWLSKOTBURNBW-WOCWXWTJSA-N 2 2 316.489 3.443 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000446977790 433139091 /nfs/dbraw/zinc/13/90/91/433139091.db2.gz RQABJHNDYFQFTR-QAPCUYQASA-N 2 2 302.462 3.233 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000446977790 433139097 /nfs/dbraw/zinc/13/90/97/433139097.db2.gz RQABJHNDYFQFTR-QAPCUYQASA-N 2 2 302.462 3.233 10 0 DGAELP CC(C)n1c[nH+]cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425322195 433164473 /nfs/dbraw/zinc/16/44/73/433164473.db2.gz GZKAXODVLRMSFG-GOSISDBHSA-N 2 2 312.461 3.170 10 0 DGAELP CC(C)n1c[nH+]cc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425322195 433164484 /nfs/dbraw/zinc/16/44/84/433164484.db2.gz GZKAXODVLRMSFG-GOSISDBHSA-N 2 2 312.461 3.170 10 0 DGAELP CCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336713842 433187821 /nfs/dbraw/zinc/18/78/21/433187821.db2.gz NURPQLNRIBTTMR-APWZRJJASA-N 2 2 312.461 3.046 10 0 DGAELP CCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000336713842 433187828 /nfs/dbraw/zinc/18/78/28/433187828.db2.gz NURPQLNRIBTTMR-APWZRJJASA-N 2 2 312.461 3.046 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021334 433345835 /nfs/dbraw/zinc/34/58/35/433345835.db2.gz ICPJQGKOTVEFLS-CRAIPNDOSA-N 2 2 304.478 3.336 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021334 433345848 /nfs/dbraw/zinc/34/58/48/433345848.db2.gz ICPJQGKOTVEFLS-CRAIPNDOSA-N 2 2 304.478 3.336 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000361888046 433439567 /nfs/dbraw/zinc/43/95/67/433439567.db2.gz IYQYQBUWKGJUQY-FGTMMUONSA-N 2 2 317.477 3.459 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850565 433757954 /nfs/dbraw/zinc/75/79/54/433757954.db2.gz AXMUERYISBEYSC-HOCLYGCPSA-N 2 2 321.428 3.280 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850565 433757961 /nfs/dbraw/zinc/75/79/61/433757961.db2.gz AXMUERYISBEYSC-HOCLYGCPSA-N 2 2 321.428 3.280 10 0 DGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436260945 433922035 /nfs/dbraw/zinc/92/20/35/433922035.db2.gz AMXJCQJVHWLZRI-HSALFYBXSA-N 2 2 316.489 3.269 10 0 DGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436260945 433922043 /nfs/dbraw/zinc/92/20/43/433922043.db2.gz AMXJCQJVHWLZRI-HSALFYBXSA-N 2 2 316.489 3.269 10 0 DGAELP CC[N@H+](C)[C@@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302838066 433883382 /nfs/dbraw/zinc/88/33/82/433883382.db2.gz YDTXACUUFRJNHK-CQSZACIVSA-N 2 2 304.482 3.428 10 0 DGAELP CC[N@@H+](C)[C@@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302838066 433883389 /nfs/dbraw/zinc/88/33/89/433883389.db2.gz YDTXACUUFRJNHK-CQSZACIVSA-N 2 2 304.482 3.428 10 0 DGAELP c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377773347 433988787 /nfs/dbraw/zinc/98/87/87/433988787.db2.gz GTIVZPNFRZYKJM-ZDUSSCGKSA-N 2 2 309.369 3.442 10 0 DGAELP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414952705 433936475 /nfs/dbraw/zinc/93/64/75/433936475.db2.gz IRDYJQAJBRXDSJ-ZANVPECISA-N 2 2 317.658 3.190 10 0 DGAELP COCc1ccccc1/C=C(\C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000507352272 294295035 /nfs/dbraw/zinc/29/50/35/294295035.db2.gz IZJAYBQKPZZQEX-DTQAZKPQSA-N 2 2 302.462 3.262 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)c2)c[nH+]1 ZINC000346215465 434207072 /nfs/dbraw/zinc/20/70/72/434207072.db2.gz KFTKBUBRDBNMLQ-KRWDZBQOSA-N 2 2 317.458 3.326 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@]4(CCCOC4)C3)c2)c[nH+]1 ZINC000346215465 434207082 /nfs/dbraw/zinc/20/70/82/434207082.db2.gz KFTKBUBRDBNMLQ-KRWDZBQOSA-N 2 2 317.458 3.326 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000379198402 434254589 /nfs/dbraw/zinc/25/45/89/434254589.db2.gz XLWNHKSPVQFTTF-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000379198402 434254597 /nfs/dbraw/zinc/25/45/97/434254597.db2.gz XLWNHKSPVQFTTF-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000387389346 434322938 /nfs/dbraw/zinc/32/29/38/434322938.db2.gz JZNADKLREMUICA-QGZVFWFLSA-N 2 2 304.478 3.038 10 0 DGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000387389346 434322944 /nfs/dbraw/zinc/32/29/44/434322944.db2.gz JZNADKLREMUICA-QGZVFWFLSA-N 2 2 304.478 3.038 10 0 DGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390575583 434362147 /nfs/dbraw/zinc/36/21/47/434362147.db2.gz CYUUMXRPURXKOO-RBUKOAKNSA-N 3 2 315.505 3.019 10 0 DGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390575583 434362157 /nfs/dbraw/zinc/36/21/57/434362157.db2.gz CYUUMXRPURXKOO-RBUKOAKNSA-N 3 2 315.505 3.019 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000389222005 434344026 /nfs/dbraw/zinc/34/40/26/434344026.db2.gz FTRKEBZMCLDXDL-KOLCDFICSA-N 2 2 315.280 3.182 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000389222005 434344031 /nfs/dbraw/zinc/34/40/31/434344031.db2.gz FTRKEBZMCLDXDL-KOLCDFICSA-N 2 2 315.280 3.182 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000397979599 434449485 /nfs/dbraw/zinc/44/94/85/434449485.db2.gz GBOZWJZJFXIMSK-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000397979599 434449493 /nfs/dbraw/zinc/44/94/93/434449493.db2.gz GBOZWJZJFXIMSK-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000397979598 434449924 /nfs/dbraw/zinc/44/99/24/434449924.db2.gz GBOZWJZJFXIMSK-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCO1 ZINC000397979598 434449931 /nfs/dbraw/zinc/44/99/31/434449931.db2.gz GBOZWJZJFXIMSK-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000397979597 434452737 /nfs/dbraw/zinc/45/27/37/434452737.db2.gz GBOZWJZJFXIMSK-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000397979597 434452744 /nfs/dbraw/zinc/45/27/44/434452744.db2.gz GBOZWJZJFXIMSK-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)[nH]1 ZINC000527075846 295075893 /nfs/dbraw/zinc/07/58/93/295075893.db2.gz JJIACJGFJPPHLJ-UHFFFAOYSA-N 2 2 321.428 3.034 10 0 DGAELP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527810086 295134411 /nfs/dbraw/zinc/13/44/11/295134411.db2.gz USTDGKLDESLSEN-GOSISDBHSA-N 2 2 310.445 3.183 10 0 DGAELP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527810086 295134413 /nfs/dbraw/zinc/13/44/13/295134413.db2.gz USTDGKLDESLSEN-GOSISDBHSA-N 2 2 310.445 3.183 10 0 DGAELP c1cn(-c2csc(C[NH+]3CCC([C@H]4CCCO4)CC3)c2)c[nH+]1 ZINC000439769090 434644642 /nfs/dbraw/zinc/64/46/42/434644642.db2.gz SLRILLUZFGEPMD-QGZVFWFLSA-N 2 2 317.458 3.325 10 0 DGAELP c1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185950 434652212 /nfs/dbraw/zinc/65/22/12/434652212.db2.gz VEMVWLDOZFNIQL-GOEBONIOSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185950 434652222 /nfs/dbraw/zinc/65/22/22/434652222.db2.gz VEMVWLDOZFNIQL-GOEBONIOSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185950 434652243 /nfs/dbraw/zinc/65/22/43/434652243.db2.gz VEMVWLDOZFNIQL-GOEBONIOSA-N 2 2 301.434 3.001 10 0 DGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000532845340 435194762 /nfs/dbraw/zinc/19/47/62/435194762.db2.gz UVDJHYYLTXCTBO-ZIFCJYIRSA-N 2 2 302.462 3.086 10 0 DGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000532845340 435194767 /nfs/dbraw/zinc/19/47/67/435194767.db2.gz UVDJHYYLTXCTBO-ZIFCJYIRSA-N 2 2 302.462 3.086 10 0 DGAELP COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC000516444174 435530340 /nfs/dbraw/zinc/53/03/40/435530340.db2.gz DHYWJBWCBLDNMO-OAHLLOKOSA-N 2 2 322.412 3.186 10 0 DGAELP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2Br)n1C ZINC000657291550 436118101 /nfs/dbraw/zinc/11/81/01/436118101.db2.gz XCWOVSAADXQVFS-JTQLQIEISA-N 2 2 308.223 3.342 10 0 DGAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(Br)c2)n1C ZINC000657298933 436123581 /nfs/dbraw/zinc/12/35/81/436123581.db2.gz QIKWGEFYXXHQFC-SNVBAGLBSA-N 2 2 308.223 3.342 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH]c1C ZINC000657432792 436198458 /nfs/dbraw/zinc/19/84/58/436198458.db2.gz KECJDRFUVBMVNP-GUDVDZBRSA-N 2 2 324.472 3.027 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH]c1C ZINC000657432792 436198461 /nfs/dbraw/zinc/19/84/61/436198461.db2.gz KECJDRFUVBMVNP-GUDVDZBRSA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH+]c1C ZINC000657432792 436198464 /nfs/dbraw/zinc/19/84/64/436198464.db2.gz KECJDRFUVBMVNP-GUDVDZBRSA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]c1C ZINC000657432792 436198467 /nfs/dbraw/zinc/19/84/67/436198467.db2.gz KECJDRFUVBMVNP-GUDVDZBRSA-N 2 2 324.472 3.027 10 0 DGAELP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214939 313340518 /nfs/dbraw/zinc/34/05/18/313340518.db2.gz DYHLWTLSQQNUIC-MJGOQNOKSA-N 2 2 322.456 3.124 10 0 DGAELP Cc1ccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000531427599 313459547 /nfs/dbraw/zinc/45/95/47/313459547.db2.gz OXVDCXPOEPPGMF-UHFFFAOYSA-N 2 2 323.400 3.148 10 0 DGAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000566501202 315353990 /nfs/dbraw/zinc/35/39/90/315353990.db2.gz PHUQKPHVJRYBRW-OALUTQOASA-N 2 2 314.473 3.200 10 0 DGAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000566501202 315353992 /nfs/dbraw/zinc/35/39/92/315353992.db2.gz PHUQKPHVJRYBRW-OALUTQOASA-N 2 2 314.473 3.200 10 0 DGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC34CC4)CC2)cc1 ZINC000575816661 316065581 /nfs/dbraw/zinc/06/55/81/316065581.db2.gz UOVYXALNSQHRHT-LJQANCHMSA-N 2 2 313.489 3.121 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096232 323325430 /nfs/dbraw/zinc/32/54/30/323325430.db2.gz ZJUKGXDMRVYDDT-CRAIPNDOSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000183096232 323325434 /nfs/dbraw/zinc/32/54/34/323325434.db2.gz ZJUKGXDMRVYDDT-CRAIPNDOSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096232 323325437 /nfs/dbraw/zinc/32/54/37/323325437.db2.gz ZJUKGXDMRVYDDT-CRAIPNDOSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096232 323325440 /nfs/dbraw/zinc/32/54/40/323325440.db2.gz ZJUKGXDMRVYDDT-CRAIPNDOSA-N 2 2 318.509 3.382 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC3CCC4(CC4)CC3)c12 ZINC000582643827 324256154 /nfs/dbraw/zinc/25/61/54/324256154.db2.gz XRPHWHMEGUBEIH-UHFFFAOYSA-N 2 2 320.400 3.345 10 0 DGAELP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000583214724 324328279 /nfs/dbraw/zinc/32/82/79/324328279.db2.gz RYYRCSKOMIIYTQ-UHFFFAOYSA-N 2 2 304.768 3.127 10 0 DGAELP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cccc(C)[nH+]1 ZINC000583255805 324332200 /nfs/dbraw/zinc/33/22/00/324332200.db2.gz BGCMBKVKAWRFFV-GJZGRUSLSA-N 2 2 318.396 3.019 10 0 DGAELP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cccc(C)[nH+]1 ZINC000583255805 324332202 /nfs/dbraw/zinc/33/22/02/324332202.db2.gz BGCMBKVKAWRFFV-GJZGRUSLSA-N 2 2 318.396 3.019 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414966 324350874 /nfs/dbraw/zinc/35/08/74/324350874.db2.gz KTRAKWHWOPWKAP-APWZRJJASA-N 2 2 302.462 3.228 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414966 324350876 /nfs/dbraw/zinc/35/08/76/324350876.db2.gz KTRAKWHWOPWKAP-APWZRJJASA-N 2 2 302.462 3.228 10 0 DGAELP CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070456053 523822136 /nfs/dbraw/zinc/82/21/36/523822136.db2.gz UHAJAVSRMNNIMS-UHFFFAOYSA-N 2 2 314.408 3.257 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163415020 523833783 /nfs/dbraw/zinc/83/37/83/523833783.db2.gz LGPFGDYMSYNWOA-HIFRSBDPSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163415020 523833784 /nfs/dbraw/zinc/83/37/84/523833784.db2.gz LGPFGDYMSYNWOA-HIFRSBDPSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000163440422 523835441 /nfs/dbraw/zinc/83/54/41/523835441.db2.gz ISIMZLPZGLHBDB-ZBFHGGJFSA-N 2 2 302.418 3.194 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000163440422 523835448 /nfs/dbraw/zinc/83/54/48/523835448.db2.gz ISIMZLPZGLHBDB-ZBFHGGJFSA-N 2 2 302.418 3.194 10 0 DGAELP C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156629725 525348957 /nfs/dbraw/zinc/34/89/57/525348957.db2.gz VMRBKCSDMDGCEB-IRXDYDNUSA-N 2 2 312.461 3.397 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000471824812 536706604 /nfs/dbraw/zinc/70/66/04/536706604.db2.gz UPGZMWXNUKBWGH-GDAAHCPNSA-N 2 2 302.462 3.054 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000471824812 536706608 /nfs/dbraw/zinc/70/66/08/536706608.db2.gz UPGZMWXNUKBWGH-GDAAHCPNSA-N 2 2 302.462 3.054 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100537 546119584 /nfs/dbraw/zinc/11/95/84/546119584.db2.gz PWFIKNAFTPJXBP-OAHLLOKOSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100537 546119587 /nfs/dbraw/zinc/11/95/87/546119587.db2.gz PWFIKNAFTPJXBP-OAHLLOKOSA-N 2 2 320.234 3.310 10 0 DGAELP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188403681 546205143 /nfs/dbraw/zinc/20/51/43/546205143.db2.gz WMABVWUYQNQOLR-QGZVFWFLSA-N 2 2 311.429 3.261 10 0 DGAELP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188403681 546205149 /nfs/dbraw/zinc/20/51/49/546205149.db2.gz WMABVWUYQNQOLR-QGZVFWFLSA-N 2 2 311.429 3.261 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250089070 546328237 /nfs/dbraw/zinc/32/82/37/546328237.db2.gz WBHQONHIBCSBPY-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250089070 546328239 /nfs/dbraw/zinc/32/82/39/546328239.db2.gz WBHQONHIBCSBPY-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300415198 546435715 /nfs/dbraw/zinc/43/57/15/546435715.db2.gz SREQLBVTELDDDG-NHYWBVRUSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300415198 546435717 /nfs/dbraw/zinc/43/57/17/546435717.db2.gz SREQLBVTELDDDG-NHYWBVRUSA-N 2 2 309.251 3.120 10 0 DGAELP c1ccc(N2CCC([NH2+][C@H]3CCCc4cccnc43)CC2)[nH+]c1 ZINC000321664238 546471730 /nfs/dbraw/zinc/47/17/30/546471730.db2.gz RHFFSFRIDAHCQV-KRWDZBQOSA-N 2 2 308.429 3.113 10 0 DGAELP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)C[C@@]1(C)C[NH3+] ZINC000381120338 546737523 /nfs/dbraw/zinc/73/75/23/546737523.db2.gz APRSZANWPMHFQQ-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)C[C@@]1(C)C[NH3+] ZINC000381120338 546737530 /nfs/dbraw/zinc/73/75/30/546737530.db2.gz APRSZANWPMHFQQ-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747252 660962241 /nfs/dbraw/zinc/96/22/41/660962241.db2.gz RNRDYWCUZQZEMJ-SJLPKXTDSA-N 2 2 324.472 3.218 10 0 DGAELP C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711747252 660962242 /nfs/dbraw/zinc/96/22/42/660962242.db2.gz RNRDYWCUZQZEMJ-SJLPKXTDSA-N 2 2 324.472 3.218 10 0 DGAELP c1[nH]nc2c1[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000353454278 659983934 /nfs/dbraw/zinc/98/39/34/659983934.db2.gz JMGJLBXHWPLSPP-GOSISDBHSA-N 2 2 310.445 3.041 10 0 DGAELP C[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC[N@@H+]1Cc1ccccc1 ZINC000353671906 660017220 /nfs/dbraw/zinc/01/72/20/660017220.db2.gz MJBREAJKXRTDDG-QUCCMNQESA-N 2 2 324.472 3.431 10 0 DGAELP C[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC[N@H+]1Cc1ccccc1 ZINC000353671906 660017222 /nfs/dbraw/zinc/01/72/22/660017222.db2.gz MJBREAJKXRTDDG-QUCCMNQESA-N 2 2 324.472 3.431 10 0 DGAELP Cn1c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000066970829 1195579747 /nfs/dbraw/zinc/57/97/47/1195579747.db2.gz VKIBQTPJRUYKKL-UHFFFAOYSA-N 2 2 322.456 3.185 10 0 DGAELP Cn1c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)nc2ccccc21 ZINC000066970829 1195579751 /nfs/dbraw/zinc/57/97/51/1195579751.db2.gz VKIBQTPJRUYKKL-UHFFFAOYSA-N 2 2 322.456 3.185 10 0 DGAELP c1cn(-c2ccc(C[NH2+]Cc3ccc4c[nH]nc4c3)cc2)c[nH+]1 ZINC000236578009 1202612674 /nfs/dbraw/zinc/61/26/74/1202612674.db2.gz CHQDBMGQEKRDGV-UHFFFAOYSA-N 2 2 303.369 3.038 10 0 DGAELP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300415197 546435633 /nfs/dbraw/zinc/43/56/33/546435633.db2.gz SREQLBVTELDDDG-ABAIWWIYSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300415197 546435636 /nfs/dbraw/zinc/43/56/36/546435636.db2.gz SREQLBVTELDDDG-ABAIWWIYSA-N 2 2 309.251 3.120 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1OC(F)F ZINC000178294166 282214674 /nfs/dbraw/zinc/21/46/74/282214674.db2.gz HVFKNKFZOLNWFD-HNNXBMFYSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1OC(F)F ZINC000178294166 282214675 /nfs/dbraw/zinc/21/46/75/282214675.db2.gz HVFKNKFZOLNWFD-HNNXBMFYSA-N 2 2 321.371 3.458 10 0 DGAELP c1cc2c(cccc2C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812944 185343617 /nfs/dbraw/zinc/34/36/17/185343617.db2.gz IVDWTHQMIJQTTR-OAHLLOKOSA-N 2 2 306.413 3.497 10 0 DGAELP c1cc2c(cccc2C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812944 185343618 /nfs/dbraw/zinc/34/36/18/185343618.db2.gz IVDWTHQMIJQTTR-OAHLLOKOSA-N 2 2 306.413 3.497 10 0 DGAELP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279854654 215181652 /nfs/dbraw/zinc/18/16/52/215181652.db2.gz PHMUUPHCUKONJS-GOSISDBHSA-N 2 2 324.472 3.323 10 0 DGAELP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279854654 215181654 /nfs/dbraw/zinc/18/16/54/215181654.db2.gz PHMUUPHCUKONJS-GOSISDBHSA-N 2 2 324.472 3.323 10 0 DGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000133035035 432057134 /nfs/dbraw/zinc/05/71/34/432057134.db2.gz PGKIJZMNCQRUSB-YJBOKZPZSA-N 3 2 312.461 3.316 10 0 DGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000133035035 432057137 /nfs/dbraw/zinc/05/71/37/432057137.db2.gz PGKIJZMNCQRUSB-YJBOKZPZSA-N 3 2 312.461 3.316 10 0 DGAELP Cc1csc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000179962011 432075244 /nfs/dbraw/zinc/07/52/44/432075244.db2.gz HHSXJCIHYKHBDM-UHFFFAOYSA-N 2 2 312.442 3.479 10 0 DGAELP Cc1cnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000180503836 199167683 /nfs/dbraw/zinc/16/76/83/199167683.db2.gz VKCVJNXRMPESMB-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1cnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000180503836 199167685 /nfs/dbraw/zinc/16/76/85/199167685.db2.gz VKCVJNXRMPESMB-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273484 432115108 /nfs/dbraw/zinc/11/51/08/432115108.db2.gz SCRGAPXZPTVNLB-WFASDCNBSA-N 2 2 305.397 3.129 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273484 432115110 /nfs/dbraw/zinc/11/51/10/432115110.db2.gz SCRGAPXZPTVNLB-WFASDCNBSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273484 432115113 /nfs/dbraw/zinc/11/51/13/432115113.db2.gz SCRGAPXZPTVNLB-WFASDCNBSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273484 432115117 /nfs/dbraw/zinc/11/51/17/432115117.db2.gz SCRGAPXZPTVNLB-WFASDCNBSA-N 2 2 305.397 3.129 10 0 DGAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000094015398 284015363 /nfs/dbraw/zinc/01/53/63/284015363.db2.gz XTPJQLABJSNBTD-VXLLPVPCSA-N 2 2 324.509 3.205 10 0 DGAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000094015398 284015369 /nfs/dbraw/zinc/01/53/69/284015369.db2.gz XTPJQLABJSNBTD-VXLLPVPCSA-N 2 2 324.509 3.205 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280624 /nfs/dbraw/zinc/28/06/24/193280624.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280626 /nfs/dbraw/zinc/28/06/26/193280626.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280628 /nfs/dbraw/zinc/28/06/28/193280628.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280630 /nfs/dbraw/zinc/28/06/30/193280630.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280631 /nfs/dbraw/zinc/28/06/31/193280631.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644366 193280633 /nfs/dbraw/zinc/28/06/33/193280633.db2.gz LXVFFFXXDBSYTF-QAPCUYQASA-N 2 2 312.461 3.095 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639642 193278027 /nfs/dbraw/zinc/27/80/27/193278027.db2.gz NQIVXNAKJRLAHZ-BZNIZROVSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639642 193278028 /nfs/dbraw/zinc/27/80/28/193278028.db2.gz NQIVXNAKJRLAHZ-BZNIZROVSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639642 193278029 /nfs/dbraw/zinc/27/80/29/193278029.db2.gz NQIVXNAKJRLAHZ-BZNIZROVSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000093639642 193278031 /nfs/dbraw/zinc/27/80/31/193278031.db2.gz NQIVXNAKJRLAHZ-BZNIZROVSA-N 2 2 300.368 3.266 10 0 DGAELP Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121803770 284206317 /nfs/dbraw/zinc/20/63/17/284206317.db2.gz JGTAYKWZANOWCL-LJQANCHMSA-N 2 2 312.461 3.171 10 0 DGAELP Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121803770 284206318 /nfs/dbraw/zinc/20/63/18/284206318.db2.gz JGTAYKWZANOWCL-LJQANCHMSA-N 2 2 312.461 3.171 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731137 217207867 /nfs/dbraw/zinc/20/78/67/217207867.db2.gz MGFQXEZVBOCIRX-DOTOQJQBSA-N 2 2 301.434 3.092 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731137 217207869 /nfs/dbraw/zinc/20/78/69/217207869.db2.gz MGFQXEZVBOCIRX-DOTOQJQBSA-N 2 2 301.434 3.092 10 0 DGAELP Cc1cccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000246422897 432128881 /nfs/dbraw/zinc/12/88/81/432128881.db2.gz CCZYNPKOLQIYFM-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1cccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000246422897 432128885 /nfs/dbraw/zinc/12/88/85/432128885.db2.gz CCZYNPKOLQIYFM-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn21 ZINC000246422897 432128889 /nfs/dbraw/zinc/12/88/89/432128889.db2.gz CCZYNPKOLQIYFM-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn21 ZINC000246422897 432128894 /nfs/dbraw/zinc/12/88/94/432128894.db2.gz CCZYNPKOLQIYFM-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Brc1ccc(CC[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000019365498 182118810 /nfs/dbraw/zinc/11/88/10/182118810.db2.gz RFFDGMPQOMTBBL-UHFFFAOYSA-N 2 2 311.267 3.067 10 0 DGAELP C[C@@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019946483 182168576 /nfs/dbraw/zinc/16/85/76/182168576.db2.gz NITWHDMVYNCARB-IAQYHMDHSA-N 2 2 309.251 3.194 10 0 DGAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226334 182199016 /nfs/dbraw/zinc/19/90/16/182199016.db2.gz SGJHNMOLCIMECR-KRWDZBQOSA-N 2 2 314.429 3.226 10 0 DGAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226334 182199018 /nfs/dbraw/zinc/19/90/18/182199018.db2.gz SGJHNMOLCIMECR-KRWDZBQOSA-N 2 2 314.429 3.226 10 0 DGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088610 182987823 /nfs/dbraw/zinc/98/78/23/182987823.db2.gz QKVWDGREKYTPSA-CHWSQXEVSA-N 2 2 300.393 3.149 10 0 DGAELP CCC[N@H+](CC[NH2+]C)Cc1ccc(F)c(Br)c1 ZINC000042404448 183263932 /nfs/dbraw/zinc/26/39/32/183263932.db2.gz BSURWFWXCKGLPO-UHFFFAOYSA-N 2 2 303.219 3.020 10 0 DGAELP CCC[N@@H+](CC[NH2+]C)Cc1ccc(F)c(Br)c1 ZINC000042404448 183263933 /nfs/dbraw/zinc/26/39/33/183263933.db2.gz BSURWFWXCKGLPO-UHFFFAOYSA-N 2 2 303.219 3.020 10 0 DGAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042580109 183286761 /nfs/dbraw/zinc/28/67/61/183286761.db2.gz FXDZAOQXVGJUHX-NSHDSACASA-N 2 2 301.228 3.162 10 0 DGAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042580109 183286762 /nfs/dbraw/zinc/28/67/62/183286762.db2.gz FXDZAOQXVGJUHX-NSHDSACASA-N 2 2 301.228 3.162 10 0 DGAELP CC[C@]1(C[N@H+](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000062911571 184259379 /nfs/dbraw/zinc/25/93/79/184259379.db2.gz VCHBLHNGJLTECC-HNNXBMFYSA-N 2 2 311.267 3.271 10 0 DGAELP CC[C@]1(C[N@@H+](C)Cc2ccccc2Br)CC[NH2+]C1 ZINC000062911571 184259380 /nfs/dbraw/zinc/25/93/80/184259380.db2.gz VCHBLHNGJLTECC-HNNXBMFYSA-N 2 2 311.267 3.271 10 0 DGAELP Fc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000120356089 195149494 /nfs/dbraw/zinc/14/94/94/195149494.db2.gz GELNMLHGUUDESV-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(F)c1 ZINC000120356089 195149497 /nfs/dbraw/zinc/14/94/97/195149497.db2.gz GELNMLHGUUDESV-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP C[C@]1(C[NH2+]Cc2cncs2)CCC[N@@H+]1Cc1ccccc1 ZINC000121793732 195347921 /nfs/dbraw/zinc/34/79/21/195347921.db2.gz QDULVUIYKJCAIN-QGZVFWFLSA-N 2 2 301.459 3.287 10 0 DGAELP C[C@]1(C[NH2+]Cc2cncs2)CCC[N@H+]1Cc1ccccc1 ZINC000121793732 195347923 /nfs/dbraw/zinc/34/79/23/195347923.db2.gz QDULVUIYKJCAIN-QGZVFWFLSA-N 2 2 301.459 3.287 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000154525886 533419096 /nfs/dbraw/zinc/41/90/96/533419096.db2.gz SXIZMVMNZRYGIR-PWSUYJOCSA-N 2 2 315.230 3.333 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000154525886 533419101 /nfs/dbraw/zinc/41/91/01/533419101.db2.gz SXIZMVMNZRYGIR-PWSUYJOCSA-N 2 2 315.230 3.333 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000261753600 292088203 /nfs/dbraw/zinc/08/82/03/292088203.db2.gz CJBJBSZWVLJMOZ-LNLFQRSKSA-N 2 2 302.462 3.065 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)[C@@H](C)CO2)c1 ZINC000261753600 292088204 /nfs/dbraw/zinc/08/82/04/292088204.db2.gz CJBJBSZWVLJMOZ-LNLFQRSKSA-N 2 2 302.462 3.065 10 0 DGAELP Clc1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328624877 400182845 /nfs/dbraw/zinc/18/28/45/400182845.db2.gz CSCSCYYUJYHWQD-QGZVFWFLSA-N 2 2 315.848 3.347 10 0 DGAELP Clc1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328624877 400182848 /nfs/dbraw/zinc/18/28/48/400182848.db2.gz CSCSCYYUJYHWQD-QGZVFWFLSA-N 2 2 315.848 3.347 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccnc2ccccc21 ZINC000616691707 400206612 /nfs/dbraw/zinc/20/66/12/400206612.db2.gz KKJPCSTUYQBBLL-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccnc2ccccc21 ZINC000616691707 400206618 /nfs/dbraw/zinc/20/66/18/400206618.db2.gz KKJPCSTUYQBBLL-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP COC(=O)C(C)(C)[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000611404836 400394483 /nfs/dbraw/zinc/39/44/83/400394483.db2.gz RVOJIQJCIHIXPN-KRWDZBQOSA-N 2 2 318.461 3.002 10 0 DGAELP CC[NH+](CC)[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000603808613 400717079 /nfs/dbraw/zinc/71/70/79/400717079.db2.gz FWNRKTLHCRJODN-SFHVURJKSA-N 2 2 322.412 3.356 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301907 286025525 /nfs/dbraw/zinc/02/55/25/286025525.db2.gz PPRWXQUMEIRTTQ-HLLBOEOZSA-N 2 2 323.431 3.460 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCC(F)(F)C1 ZINC000358301907 286025528 /nfs/dbraw/zinc/02/55/28/286025528.db2.gz PPRWXQUMEIRTTQ-HLLBOEOZSA-N 2 2 323.431 3.460 10 0 DGAELP c1ccc(COCc2ccccc2C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000634995564 401397966 /nfs/dbraw/zinc/39/79/66/401397966.db2.gz IMGYPQNSFVVNLI-UHFFFAOYSA-N 2 2 322.452 3.245 10 0 DGAELP c1cn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cc2)c[nH+]1 ZINC000631253965 401438181 /nfs/dbraw/zinc/43/81/81/401438181.db2.gz MPVCSUGZZOKSHC-MOPGFXCFSA-N 2 2 311.429 3.310 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631885900 401563711 /nfs/dbraw/zinc/56/37/11/401563711.db2.gz CLCVEJYMMABAMK-PWSUYJOCSA-N 2 2 315.280 3.085 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631885900 401563714 /nfs/dbraw/zinc/56/37/14/401563714.db2.gz CLCVEJYMMABAMK-PWSUYJOCSA-N 2 2 315.280 3.085 10 0 DGAELP c1cn(CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)c[nH+]1 ZINC000358924554 286188784 /nfs/dbraw/zinc/18/87/84/286188784.db2.gz DRYOTOSFBSVRSP-SFHVURJKSA-N 2 2 321.428 3.126 10 0 DGAELP COc1ccc2nc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)sc2c1 ZINC000187120368 165077173 /nfs/dbraw/zinc/07/71/73/165077173.db2.gz DVURMJSWPRMEQD-STQMWFEESA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)sc2c1 ZINC000187120368 165077177 /nfs/dbraw/zinc/07/71/77/165077177.db2.gz DVURMJSWPRMEQD-STQMWFEESA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120368 165077180 /nfs/dbraw/zinc/07/71/80/165077180.db2.gz DVURMJSWPRMEQD-STQMWFEESA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120368 165077184 /nfs/dbraw/zinc/07/71/84/165077184.db2.gz DVURMJSWPRMEQD-STQMWFEESA-N 2 2 319.474 3.219 10 0 DGAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000187893468 165104325 /nfs/dbraw/zinc/10/43/25/165104325.db2.gz DOZMPWXQPFTXLW-OAHLLOKOSA-N 2 2 302.466 3.090 10 0 DGAELP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1ccco1 ZINC000192177063 165284829 /nfs/dbraw/zinc/28/48/29/165284829.db2.gz FVMXXUUHKDBSLX-QGZVFWFLSA-N 2 2 311.385 3.251 10 0 DGAELP CSc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000193431979 165326762 /nfs/dbraw/zinc/32/67/62/165326762.db2.gz LWACWFMZZKZXTM-HNNXBMFYSA-N 2 2 320.502 3.094 10 0 DGAELP CSc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000193431979 165326766 /nfs/dbraw/zinc/32/67/66/165326766.db2.gz LWACWFMZZKZXTM-HNNXBMFYSA-N 2 2 320.502 3.094 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC34CCC4)c2cc1C ZINC000365635679 287156574 /nfs/dbraw/zinc/15/65/74/287156574.db2.gz HZBVWGNZALMRQD-INIZCTEOSA-N 2 2 313.445 3.033 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC34CCC4)c2cc1C ZINC000365635679 287156577 /nfs/dbraw/zinc/15/65/77/287156577.db2.gz HZBVWGNZALMRQD-INIZCTEOSA-N 2 2 313.445 3.033 10 0 DGAELP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@@H](C)C1 ZINC000328627211 287228425 /nfs/dbraw/zinc/22/84/25/287228425.db2.gz FVYWMVLUKPNSSY-MRHSLFKSSA-N 2 2 301.478 3.489 10 0 DGAELP C[C@@H]1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@@H](C)C1 ZINC000328627211 287228427 /nfs/dbraw/zinc/22/84/27/287228427.db2.gz FVYWMVLUKPNSSY-MRHSLFKSSA-N 2 2 301.478 3.489 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000246700938 432156249 /nfs/dbraw/zinc/15/62/49/432156249.db2.gz JJDTTXPSUWDGHB-ZWKOTPCHSA-N 2 2 313.445 3.124 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000246700938 432156251 /nfs/dbraw/zinc/15/62/51/432156251.db2.gz JJDTTXPSUWDGHB-ZWKOTPCHSA-N 2 2 313.445 3.124 10 0 DGAELP Cc1cccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646881 432156918 /nfs/dbraw/zinc/15/69/18/432156918.db2.gz UTUOJMIBPPRQLT-KRWDZBQOSA-N 2 2 311.429 3.203 10 0 DGAELP Cc1cccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646881 432156923 /nfs/dbraw/zinc/15/69/23/432156923.db2.gz UTUOJMIBPPRQLT-KRWDZBQOSA-N 2 2 311.429 3.203 10 0 DGAELP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000182623276 432212046 /nfs/dbraw/zinc/21/20/46/432212046.db2.gz BYNMZZCNNUWWBA-QGZVFWFLSA-N 2 2 315.417 3.128 10 0 DGAELP COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000182623276 432212047 /nfs/dbraw/zinc/21/20/47/432212047.db2.gz BYNMZZCNNUWWBA-QGZVFWFLSA-N 2 2 315.417 3.128 10 0 DGAELP CCn1nc(C)c([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c1C ZINC000151035372 432212826 /nfs/dbraw/zinc/21/28/26/432212826.db2.gz FHWPUDMUNDHOGQ-OAHLLOKOSA-N 2 2 314.477 3.302 10 0 DGAELP CCn1nc(C)c([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c1C ZINC000151035372 432212830 /nfs/dbraw/zinc/21/28/30/432212830.db2.gz FHWPUDMUNDHOGQ-OAHLLOKOSA-N 2 2 314.477 3.302 10 0 DGAELP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000247131478 432205017 /nfs/dbraw/zinc/20/50/17/432205017.db2.gz SJPZJHMNGXJOMX-HIFRSBDPSA-N 2 2 317.437 3.143 10 0 DGAELP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000247131478 432205021 /nfs/dbraw/zinc/20/50/21/432205021.db2.gz SJPZJHMNGXJOMX-HIFRSBDPSA-N 2 2 317.437 3.143 10 0 DGAELP Brc1cccc2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000182789787 432228424 /nfs/dbraw/zinc/22/84/24/432228424.db2.gz VWWCPHDQHDXOOZ-UHFFFAOYSA-N 2 2 320.234 3.094 10 0 DGAELP Brc1cccc2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000182789787 432228427 /nfs/dbraw/zinc/22/84/27/432228427.db2.gz VWWCPHDQHDXOOZ-UHFFFAOYSA-N 2 2 320.234 3.094 10 0 DGAELP Brc1c[nH+]ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000352830708 265184958 /nfs/dbraw/zinc/18/49/58/265184958.db2.gz WOXJDDKRYAAVRT-CYBMUJFWSA-N 2 2 324.266 3.299 10 0 DGAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334447 432237750 /nfs/dbraw/zinc/23/77/50/432237750.db2.gz VDHJQDNQDPZONB-QWHCGFSZSA-N 2 2 316.898 3.289 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247694344 432246950 /nfs/dbraw/zinc/24/69/50/432246950.db2.gz SZUJYTMRWVIVMF-GDBMZVCRSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000247694344 432246952 /nfs/dbraw/zinc/24/69/52/432246952.db2.gz SZUJYTMRWVIVMF-GDBMZVCRSA-N 2 2 323.400 3.016 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000370566102 271369586 /nfs/dbraw/zinc/36/95/86/271369586.db2.gz RJWPAXUAFSDBDL-UHFFFAOYSA-N 2 2 316.493 3.306 10 0 DGAELP CSCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247965420 432257638 /nfs/dbraw/zinc/25/76/38/432257638.db2.gz GSQRPLCSKRMXHD-NVXWUHKLSA-N 2 2 307.507 3.025 10 0 DGAELP CSCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247965420 432257640 /nfs/dbraw/zinc/25/76/40/432257640.db2.gz GSQRPLCSKRMXHD-NVXWUHKLSA-N 2 2 307.507 3.025 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000247976069 432258882 /nfs/dbraw/zinc/25/88/82/432258882.db2.gz KYFGDEWAHOCVMC-SOLBZPMBSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000247976069 432258884 /nfs/dbraw/zinc/25/88/84/432258884.db2.gz KYFGDEWAHOCVMC-SOLBZPMBSA-N 2 2 310.445 3.038 10 0 DGAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000123410495 431864265 /nfs/dbraw/zinc/86/42/65/431864265.db2.gz NHQDVAIVSLTMGC-GOSISDBHSA-N 2 2 312.461 3.097 10 0 DGAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000123410495 431864267 /nfs/dbraw/zinc/86/42/67/431864267.db2.gz NHQDVAIVSLTMGC-GOSISDBHSA-N 2 2 312.461 3.097 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000126250564 431946130 /nfs/dbraw/zinc/94/61/30/431946130.db2.gz CWONLZCOUCEJOI-UHOSZYNNSA-N 2 2 319.493 3.087 10 0 DGAELP CCCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000126250564 431946132 /nfs/dbraw/zinc/94/61/32/431946132.db2.gz CWONLZCOUCEJOI-UHOSZYNNSA-N 2 2 319.493 3.087 10 0 DGAELP Fc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(F)c1F ZINC000128254192 431990546 /nfs/dbraw/zinc/99/05/46/431990546.db2.gz ZMMYZIPHAKPGGL-LBPRGKRZSA-N 2 2 321.346 3.433 10 0 DGAELP Fc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(F)c1F ZINC000128254192 431990548 /nfs/dbraw/zinc/99/05/48/431990548.db2.gz ZMMYZIPHAKPGGL-LBPRGKRZSA-N 2 2 321.346 3.433 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000248145928 432271976 /nfs/dbraw/zinc/27/19/76/432271976.db2.gz QDFQZRGXPFNSOK-KBPBESRZSA-N 2 2 307.507 3.357 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000248145928 432271980 /nfs/dbraw/zinc/27/19/80/432271980.db2.gz QDFQZRGXPFNSOK-KBPBESRZSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000248145928 432271984 /nfs/dbraw/zinc/27/19/84/432271984.db2.gz QDFQZRGXPFNSOK-KBPBESRZSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)CC[C@@H]21 ZINC000248145928 432271988 /nfs/dbraw/zinc/27/19/88/432271988.db2.gz QDFQZRGXPFNSOK-KBPBESRZSA-N 2 2 307.507 3.357 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000248059878 432265961 /nfs/dbraw/zinc/26/59/61/432265961.db2.gz YBIIYACWDMFPDJ-TXPKVOOTSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000248059878 432265965 /nfs/dbraw/zinc/26/59/65/432265965.db2.gz YBIIYACWDMFPDJ-TXPKVOOTSA-N 2 2 310.445 3.038 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000248965687 432330915 /nfs/dbraw/zinc/33/09/15/432330915.db2.gz QQAQWCGREIZIHA-SJORKVTESA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000248965687 432330918 /nfs/dbraw/zinc/33/09/18/432330918.db2.gz QQAQWCGREIZIHA-SJORKVTESA-N 2 2 305.466 3.024 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000249092626 432337938 /nfs/dbraw/zinc/33/79/38/432337938.db2.gz KYATWUGCVSIJLH-NZSAHSFTSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000249092626 432337942 /nfs/dbraw/zinc/33/79/42/432337942.db2.gz KYATWUGCVSIJLH-NZSAHSFTSA-N 2 2 302.462 3.056 10 0 DGAELP COc1ccccc1CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248631508 432308184 /nfs/dbraw/zinc/30/81/84/432308184.db2.gz ZZOPDWBZEMUTGW-FUHWJXTLSA-N 2 2 313.445 3.407 10 0 DGAELP COc1ccccc1CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248631508 432308188 /nfs/dbraw/zinc/30/81/88/432308188.db2.gz ZZOPDWBZEMUTGW-FUHWJXTLSA-N 2 2 313.445 3.407 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000249778983 432358341 /nfs/dbraw/zinc/35/83/41/432358341.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000249778983 432358343 /nfs/dbraw/zinc/35/83/43/432358343.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778983 432358348 /nfs/dbraw/zinc/35/83/48/432358348.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778983 432358351 /nfs/dbraw/zinc/35/83/51/432358351.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnn1C ZINC000192936268 432431388 /nfs/dbraw/zinc/43/13/88/432431388.db2.gz GWOGGHMJUAIGDB-BQFCYCMXSA-N 2 2 312.461 3.124 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnn1C ZINC000192936268 432431393 /nfs/dbraw/zinc/43/13/93/432431393.db2.gz GWOGGHMJUAIGDB-BQFCYCMXSA-N 2 2 312.461 3.124 10 0 DGAELP C[C@]1(C[NH3+])CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000261590169 432433344 /nfs/dbraw/zinc/43/33/44/432433344.db2.gz LCADYQSTQIDLCC-CQSZACIVSA-N 2 2 303.233 3.043 10 0 DGAELP C[C@]1(C[NH3+])CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000261590169 432433345 /nfs/dbraw/zinc/43/33/45/432433345.db2.gz LCADYQSTQIDLCC-CQSZACIVSA-N 2 2 303.233 3.043 10 0 DGAELP Cc1cc(Br)c2c(c1)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261880817 432458124 /nfs/dbraw/zinc/45/81/24/432458124.db2.gz QXSFFMRCEPQDSH-INIZCTEOSA-N 2 2 323.278 3.115 10 0 DGAELP Cc1cc(Br)c2c(c1)C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261880817 432458125 /nfs/dbraw/zinc/45/81/25/432458125.db2.gz QXSFFMRCEPQDSH-INIZCTEOSA-N 2 2 323.278 3.115 10 0 DGAELP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000153482731 432412685 /nfs/dbraw/zinc/41/26/85/432412685.db2.gz NQKHOTMRXRNHDJ-LJQANCHMSA-N 3 2 307.526 3.060 10 0 DGAELP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000153482731 432412687 /nfs/dbraw/zinc/41/26/87/432412687.db2.gz NQKHOTMRXRNHDJ-LJQANCHMSA-N 3 2 307.526 3.060 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262122215 432475209 /nfs/dbraw/zinc/47/52/09/432475209.db2.gz XJEJXKRMXVBSJU-QAPCUYQASA-N 2 2 321.896 3.018 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262122215 432475212 /nfs/dbraw/zinc/47/52/12/432475212.db2.gz XJEJXKRMXVBSJU-QAPCUYQASA-N 2 2 321.896 3.018 10 0 DGAELP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551431 432506560 /nfs/dbraw/zinc/50/65/60/432506560.db2.gz SMCVZWJRXFVTKB-GUYCJALGSA-N 2 2 316.424 3.065 10 0 DGAELP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000154551431 432506562 /nfs/dbraw/zinc/50/65/62/432506562.db2.gz SMCVZWJRXFVTKB-GUYCJALGSA-N 2 2 316.424 3.065 10 0 DGAELP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000154622995 432511170 /nfs/dbraw/zinc/51/11/70/432511170.db2.gz NIVXKICPAQTGPN-RYUDHWBXSA-N 2 2 312.841 3.102 10 0 DGAELP C[C@@]1(C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]C1 ZINC000261980343 432466334 /nfs/dbraw/zinc/46/63/34/432466334.db2.gz JCVSBNANKUXSPA-OAHLLOKOSA-N 2 2 300.368 3.441 10 0 DGAELP C[C@@]1(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CC[NH2+]C1 ZINC000261980343 432466338 /nfs/dbraw/zinc/46/63/38/432466338.db2.gz JCVSBNANKUXSPA-OAHLLOKOSA-N 2 2 300.368 3.441 10 0 DGAELP C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185674283 432522364 /nfs/dbraw/zinc/52/23/64/432522364.db2.gz DKASHCIDYHHQOB-IFXJQAMLSA-N 2 2 308.429 3.344 10 0 DGAELP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733398 432572909 /nfs/dbraw/zinc/57/29/09/432572909.db2.gz JJPBSBKWOLPWRK-AWEZNQCLSA-N 2 2 320.481 3.236 10 0 DGAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690689 432650219 /nfs/dbraw/zinc/65/02/19/432650219.db2.gz AGUCETNSQKDDGW-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690689 432650222 /nfs/dbraw/zinc/65/02/22/432650222.db2.gz AGUCETNSQKDDGW-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690689 432650227 /nfs/dbraw/zinc/65/02/27/432650227.db2.gz AGUCETNSQKDDGW-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690689 432650231 /nfs/dbraw/zinc/65/02/31/432650231.db2.gz AGUCETNSQKDDGW-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688411 432650921 /nfs/dbraw/zinc/65/09/21/432650921.db2.gz YXCBOSXQZCBZFU-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688411 432650925 /nfs/dbraw/zinc/65/09/25/432650925.db2.gz YXCBOSXQZCBZFU-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688411 432650927 /nfs/dbraw/zinc/65/09/27/432650927.db2.gz YXCBOSXQZCBZFU-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688411 432650931 /nfs/dbraw/zinc/65/09/31/432650931.db2.gz YXCBOSXQZCBZFU-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP Cc1ccc([C@H](CNc2cc[nH+]c(C)c2)[NH+]2CCOCC2)s1 ZINC000274325081 432652040 /nfs/dbraw/zinc/65/20/40/432652040.db2.gz DOAASNUYEQNNPO-INIZCTEOSA-N 2 2 317.458 3.245 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOc1ccccc1C ZINC000178309478 432718374 /nfs/dbraw/zinc/71/83/74/432718374.db2.gz GVSPVUVRIUFOEA-GOSISDBHSA-N 2 2 313.445 3.433 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOc1ccccc1C ZINC000178309478 432718377 /nfs/dbraw/zinc/71/83/77/432718377.db2.gz GVSPVUVRIUFOEA-GOSISDBHSA-N 2 2 313.445 3.433 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187812064 432687321 /nfs/dbraw/zinc/68/73/21/432687321.db2.gz RROKGVVXYFHNSW-YOEHRIQHSA-N 2 2 310.869 3.144 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000187812064 432687325 /nfs/dbraw/zinc/68/73/25/432687325.db2.gz RROKGVVXYFHNSW-YOEHRIQHSA-N 2 2 310.869 3.144 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498445 432782740 /nfs/dbraw/zinc/78/27/40/432782740.db2.gz CKYMJWIJTPSYOL-PWSUYJOCSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498445 432782745 /nfs/dbraw/zinc/78/27/45/432782745.db2.gz CKYMJWIJTPSYOL-PWSUYJOCSA-N 2 2 315.230 3.147 10 0 DGAELP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000161497321 432783094 /nfs/dbraw/zinc/78/30/94/432783094.db2.gz VKRXHWRXWVDBNO-LBPRGKRZSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c(F)c1 ZINC000161497321 432783099 /nfs/dbraw/zinc/78/30/99/432783099.db2.gz VKRXHWRXWVDBNO-LBPRGKRZSA-N 2 2 315.230 3.292 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245748547 432861349 /nfs/dbraw/zinc/86/13/49/432861349.db2.gz YMORQCCCHAPRDK-GDBMZVCRSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245748547 432861351 /nfs/dbraw/zinc/86/13/51/432861351.db2.gz YMORQCCCHAPRDK-GDBMZVCRSA-N 2 2 323.400 3.016 10 0 DGAELP Cc1ccc(C)c([C@H]2C[N@H+](CCCn3cc[nH+]c3)[C@@H](C)CO2)c1 ZINC000245920428 432870158 /nfs/dbraw/zinc/87/01/58/432870158.db2.gz XOLUSWKWPIXWKQ-PKOBYXMFSA-N 2 2 313.445 3.352 10 0 DGAELP Cc1ccc(C)c([C@H]2C[N@@H+](CCCn3cc[nH+]c3)[C@@H](C)CO2)c1 ZINC000245920428 432870159 /nfs/dbraw/zinc/87/01/59/432870159.db2.gz XOLUSWKWPIXWKQ-PKOBYXMFSA-N 2 2 313.445 3.352 10 0 DGAELP CC1(C)[C@H]([NH2+]CCCCNc2cccc[nH+]2)[C@@H]2CCCO[C@H]21 ZINC000245934515 432871745 /nfs/dbraw/zinc/87/17/45/432871745.db2.gz SYHXNTOOHTXFGC-USXIJHARSA-N 2 2 303.450 3.067 10 0 DGAELP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245698442 432856559 /nfs/dbraw/zinc/85/65/59/432856559.db2.gz BHVMBABRIGKNBO-MAUKXSAKSA-N 2 2 321.428 3.356 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245698442 432856562 /nfs/dbraw/zinc/85/65/62/432856562.db2.gz BHVMBABRIGKNBO-MAUKXSAKSA-N 2 2 321.428 3.356 10 0 DGAELP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333272824 433046118 /nfs/dbraw/zinc/04/61/18/433046118.db2.gz GIZBOMGSLWXZDF-CVEARBPZSA-N 2 2 316.449 3.084 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000341472938 433077860 /nfs/dbraw/zinc/07/78/60/433077860.db2.gz AXWLSKOTBURNBW-HPUSYDDDSA-N 2 2 316.489 3.443 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000341472938 433077868 /nfs/dbraw/zinc/07/78/68/433077868.db2.gz AXWLSKOTBURNBW-HPUSYDDDSA-N 2 2 316.489 3.443 10 0 DGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)[nH+]1 ZINC000375406290 433451110 /nfs/dbraw/zinc/45/11/10/433451110.db2.gz VUJPWQZOKLEVDK-HXUWFJFHSA-N 2 2 319.408 3.356 10 0 DGAELP c1cn2c(cccc2C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)[nH+]1 ZINC000375406290 433451119 /nfs/dbraw/zinc/45/11/19/433451119.db2.gz VUJPWQZOKLEVDK-HXUWFJFHSA-N 2 2 319.408 3.356 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000340210898 433984610 /nfs/dbraw/zinc/98/46/10/433984610.db2.gz XFMMQNYKPWAYOR-ROUUACIJSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000340210898 433984627 /nfs/dbraw/zinc/98/46/27/433984627.db2.gz XFMMQNYKPWAYOR-ROUUACIJSA-N 2 2 302.462 3.198 10 0 DGAELP COc1cccc2c1cc[nH+]c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000450294385 434086512 /nfs/dbraw/zinc/08/65/12/434086512.db2.gz NIWIGSHIIXSZFB-UHFFFAOYSA-N 2 2 308.385 3.351 10 0 DGAELP c1ccc(OCCCC[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000357598005 434093472 /nfs/dbraw/zinc/09/34/72/434093472.db2.gz QTOHIJAKELEXPX-SFHVURJKSA-N 2 2 302.462 3.406 10 0 DGAELP c1ccc(OCCCC[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000357598005 434093480 /nfs/dbraw/zinc/09/34/80/434093480.db2.gz QTOHIJAKELEXPX-SFHVURJKSA-N 2 2 302.462 3.406 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422994168 434159709 /nfs/dbraw/zinc/15/97/09/434159709.db2.gz USPBVSJTFYNJPH-IPMKNSEASA-N 2 2 316.493 3.399 10 0 DGAELP C[NH+](C)C1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCC1 ZINC000437106954 434214016 /nfs/dbraw/zinc/21/40/16/434214016.db2.gz JIFBLNGOYXVMGN-WMZOPIPTSA-N 2 2 302.462 3.228 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000295137493 434223507 /nfs/dbraw/zinc/22/35/07/434223507.db2.gz ZIDYCHNNZCRTGH-PKOBYXMFSA-N 2 2 309.457 3.185 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295137493 434223517 /nfs/dbraw/zinc/22/35/17/434223517.db2.gz ZIDYCHNNZCRTGH-PKOBYXMFSA-N 2 2 309.457 3.185 10 0 DGAELP Brc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232914 434298307 /nfs/dbraw/zinc/29/83/07/434298307.db2.gz JBBITOPTBKEPKY-GJZGRUSLSA-N 2 2 309.251 3.242 10 0 DGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390575584 434362910 /nfs/dbraw/zinc/36/29/10/434362910.db2.gz CYUUMXRPURXKOO-RTBURBONSA-N 3 2 315.505 3.019 10 0 DGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390575584 434362921 /nfs/dbraw/zinc/36/29/21/434362921.db2.gz CYUUMXRPURXKOO-RTBURBONSA-N 3 2 315.505 3.019 10 0 DGAELP COC[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868534 434350805 /nfs/dbraw/zinc/35/08/05/434350805.db2.gz NKWJXMDXFGGNRA-YYWHXJBOSA-N 2 2 324.468 3.484 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H](C)O1 ZINC000398088858 434448899 /nfs/dbraw/zinc/44/88/99/434448899.db2.gz WIXYADJBPXXTTP-KCITZHQASA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H](C)O1 ZINC000398088858 434448905 /nfs/dbraw/zinc/44/89/05/434448905.db2.gz WIXYADJBPXXTTP-KCITZHQASA-N 2 2 302.462 3.197 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400642162 434488899 /nfs/dbraw/zinc/48/88/99/434488899.db2.gz PVIJTUIDXBTHIC-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400642162 434488908 /nfs/dbraw/zinc/48/89/08/434488908.db2.gz PVIJTUIDXBTHIC-RTBURBONSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397973108 434452434 /nfs/dbraw/zinc/45/24/34/434452434.db2.gz CGGLCGSCLMFIEI-RBUKOAKNSA-N 2 2 302.462 3.200 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000397973108 434452441 /nfs/dbraw/zinc/45/24/41/434452441.db2.gz CGGLCGSCLMFIEI-RBUKOAKNSA-N 2 2 302.462 3.200 10 0 DGAELP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c[nH+]cn1CC)CCC2 ZINC000417817418 434531038 /nfs/dbraw/zinc/53/10/38/434531038.db2.gz UYYQIQRRGYVWHG-CQSZACIVSA-N 2 2 304.463 3.431 10 0 DGAELP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c[nH+]cn1CC)CCC2 ZINC000417817418 434531048 /nfs/dbraw/zinc/53/10/48/434531048.db2.gz UYYQIQRRGYVWHG-CQSZACIVSA-N 2 2 304.463 3.431 10 0 DGAELP c1ccc(-c2ncc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cn2)cc1 ZINC000527000565 295070087 /nfs/dbraw/zinc/07/00/87/295070087.db2.gz OQXAAYUDVPTKON-UHFFFAOYSA-N 2 2 322.456 3.250 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC[C@@H]3CCCOC3)C2)cc1 ZINC000527928558 295152086 /nfs/dbraw/zinc/15/20/86/295152086.db2.gz PKVPCCKELYADCS-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC[C@@H]3CCCOC3)C2)cc1 ZINC000527928558 295152088 /nfs/dbraw/zinc/15/20/88/295152088.db2.gz PKVPCCKELYADCS-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002790 295164674 /nfs/dbraw/zinc/16/46/74/295164674.db2.gz QXVCNDNPMIJRKR-NXWXRZEISA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002790 295164675 /nfs/dbraw/zinc/16/46/75/295164675.db2.gz QXVCNDNPMIJRKR-NXWXRZEISA-N 2 2 306.494 3.188 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)C2 ZINC000554982883 434955418 /nfs/dbraw/zinc/95/54/18/434955418.db2.gz UVVVQWJGDWQQSS-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1csc(-c3ccccc3)n1)CC2 ZINC000554982883 434955425 /nfs/dbraw/zinc/95/54/25/434955425.db2.gz UVVVQWJGDWQQSS-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP Cc1ccc(CCC[NH+]2CCC(C3CCOCC3)CC2)c[nH+]1 ZINC000573863383 434931397 /nfs/dbraw/zinc/93/13/97/434931397.db2.gz ARHJDUMUPQLVHB-UHFFFAOYSA-N 2 2 302.462 3.461 10 0 DGAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729012 435140050 /nfs/dbraw/zinc/14/00/50/435140050.db2.gz PWMDUYPNNJKSRU-PMACEKPBSA-N 3 2 321.553 3.449 10 0 DGAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729012 435140054 /nfs/dbraw/zinc/14/00/54/435140054.db2.gz PWMDUYPNNJKSRU-PMACEKPBSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729012 435140058 /nfs/dbraw/zinc/14/00/58/435140058.db2.gz PWMDUYPNNJKSRU-PMACEKPBSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729012 435140063 /nfs/dbraw/zinc/14/00/63/435140063.db2.gz PWMDUYPNNJKSRU-PMACEKPBSA-N 3 2 321.553 3.449 10 0 DGAELP c1cn(CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000535087450 435318554 /nfs/dbraw/zinc/31/85/54/435318554.db2.gz HEHRAGJUJUVRCS-MJGOQNOKSA-N 2 2 313.445 3.421 10 0 DGAELP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1OC ZINC000552068192 435878385 /nfs/dbraw/zinc/87/83/85/435878385.db2.gz MUVMHSINKSQFAE-INIZCTEOSA-N 2 2 318.461 3.315 10 0 DGAELP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1OC ZINC000552068192 435878388 /nfs/dbraw/zinc/87/83/88/435878388.db2.gz MUVMHSINKSQFAE-INIZCTEOSA-N 2 2 318.461 3.315 10 0 DGAELP COc1cc(C)[nH+]c(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000309688473 533700404 /nfs/dbraw/zinc/70/04/04/533700404.db2.gz CGEKSBUZFBPVCC-INIZCTEOSA-N 2 2 313.445 3.009 10 0 DGAELP COc1cc(C)[nH+]c(CN[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000309688473 533700411 /nfs/dbraw/zinc/70/04/11/533700411.db2.gz CGEKSBUZFBPVCC-INIZCTEOSA-N 2 2 313.445 3.009 10 0 DGAELP c1ccc(COc2ccccc2C[NH2+][C@H]2CC[NH2+]C23CCC3)nc1 ZINC000530176182 313333196 /nfs/dbraw/zinc/33/31/96/313333196.db2.gz CKCIDPVNGOZAEH-IBGZPJMESA-N 2 2 323.440 3.035 10 0 DGAELP C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000180125799 323222173 /nfs/dbraw/zinc/22/21/73/323222173.db2.gz JMYPQRCKYAYGPV-RDTXWAMCSA-N 2 2 322.880 3.349 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180424545 323229056 /nfs/dbraw/zinc/22/90/56/323229056.db2.gz HDLXIQXGOPXOAA-CRAIPNDOSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000180424545 323229058 /nfs/dbraw/zinc/22/90/58/323229058.db2.gz HDLXIQXGOPXOAA-CRAIPNDOSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424545 323229060 /nfs/dbraw/zinc/22/90/60/323229060.db2.gz HDLXIQXGOPXOAA-CRAIPNDOSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424545 323229061 /nfs/dbraw/zinc/22/90/61/323229061.db2.gz HDLXIQXGOPXOAA-CRAIPNDOSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738698 323393801 /nfs/dbraw/zinc/39/38/01/323393801.db2.gz KUGXNNNCGDUTOR-KGLIPLIRSA-N 2 2 318.490 3.138 10 0 DGAELP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738698 323393805 /nfs/dbraw/zinc/39/38/05/323393805.db2.gz KUGXNNNCGDUTOR-KGLIPLIRSA-N 2 2 318.490 3.138 10 0 DGAELP CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070455985 523821502 /nfs/dbraw/zinc/82/15/02/523821502.db2.gz WVVIIYQRFVGLHU-UHFFFAOYSA-N 2 2 310.445 3.426 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000163308222 523829838 /nfs/dbraw/zinc/82/98/38/523829838.db2.gz SKBPLXPAQPZATM-VXGBXAGGSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000163308222 523829840 /nfs/dbraw/zinc/82/98/40/523829840.db2.gz SKBPLXPAQPZATM-VXGBXAGGSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163406184 523829892 /nfs/dbraw/zinc/82/98/92/523829892.db2.gz BFTXYZOZJXBYLM-FUHWJXTLSA-N 2 2 320.477 3.235 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163406184 523829896 /nfs/dbraw/zinc/82/98/96/523829896.db2.gz BFTXYZOZJXBYLM-FUHWJXTLSA-N 2 2 320.477 3.235 10 0 DGAELP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154579292 526179775 /nfs/dbraw/zinc/17/97/75/526179775.db2.gz MMGZHVCHABNLBJ-RDBSUJKOSA-N 2 2 303.475 3.472 10 0 DGAELP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154579292 526179782 /nfs/dbraw/zinc/17/97/82/526179782.db2.gz MMGZHVCHABNLBJ-RDBSUJKOSA-N 2 2 303.475 3.472 10 0 DGAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1SC ZINC000136080755 545980770 /nfs/dbraw/zinc/98/07/70/545980770.db2.gz DCGGHCLIDJPGFV-HNNXBMFYSA-N 2 2 317.458 3.278 10 0 DGAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)ccc1SC ZINC000136080755 545980774 /nfs/dbraw/zinc/98/07/74/545980774.db2.gz DCGGHCLIDJPGFV-HNNXBMFYSA-N 2 2 317.458 3.278 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178562457 546130533 /nfs/dbraw/zinc/13/05/33/546130533.db2.gz JHVRNMIICKLCDM-XJKSGUPXSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000178562457 546130539 /nfs/dbraw/zinc/13/05/39/546130539.db2.gz JHVRNMIICKLCDM-XJKSGUPXSA-N 2 2 324.465 3.063 10 0 DGAELP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)c2O1 ZINC000188411033 546205466 /nfs/dbraw/zinc/20/54/66/546205466.db2.gz MKGVUNGIDLTTGH-QGZVFWFLSA-N 2 2 311.429 3.261 10 0 DGAELP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)c2O1 ZINC000188411033 546205470 /nfs/dbraw/zinc/20/54/70/546205470.db2.gz MKGVUNGIDLTTGH-QGZVFWFLSA-N 2 2 311.429 3.261 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000389848587 546753508 /nfs/dbraw/zinc/75/35/08/546753508.db2.gz SKVRRUKMANVRMS-NQERJWCQSA-N 2 2 321.468 3.366 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000389848587 546753512 /nfs/dbraw/zinc/75/35/12/546753512.db2.gz SKVRRUKMANVRMS-NQERJWCQSA-N 2 2 321.468 3.366 10 0 DGAELP Cc1ncccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742377916 574994204 /nfs/dbraw/zinc/99/42/04/574994204.db2.gz KTBINMCFLVJBTD-UHFFFAOYSA-N 2 2 324.472 3.215 10 0 DGAELP Cc1csc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000742388897 574995810 /nfs/dbraw/zinc/99/58/10/574995810.db2.gz TYDVGRCAQVZLCI-HNNXBMFYSA-N 2 2 312.442 3.259 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000353533401 659996024 /nfs/dbraw/zinc/99/60/24/659996024.db2.gz RTVURHWKKUUXAN-AYBZRNKSSA-N 2 2 324.472 3.430 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000353533401 659996025 /nfs/dbraw/zinc/99/60/25/659996025.db2.gz RTVURHWKKUUXAN-AYBZRNKSSA-N 2 2 324.472 3.430 10 0 DGAELP C[C@]1(C[NH2+]Cc2ccc(F)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000189390754 661977124 /nfs/dbraw/zinc/97/71/24/661977124.db2.gz YTIRCLCRASIPIU-LJQANCHMSA-N 2 2 313.420 3.365 10 0 DGAELP C[C@]1(C[NH2+]Cc2ccc(F)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000189390754 661977125 /nfs/dbraw/zinc/97/71/25/661977125.db2.gz YTIRCLCRASIPIU-LJQANCHMSA-N 2 2 313.420 3.365 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H](O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000398007029 685234003 /nfs/dbraw/zinc/23/40/03/685234003.db2.gz YKWXPIKDHURPLB-SFTDATJTSA-N 2 2 324.468 3.364 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H](O)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000398007029 685234007 /nfs/dbraw/zinc/23/40/07/685234007.db2.gz YKWXPIKDHURPLB-SFTDATJTSA-N 2 2 324.468 3.364 10 0 DGAELP Cc1nc2ccccn2c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000393402261 1197718456 /nfs/dbraw/zinc/71/84/56/1197718456.db2.gz ZKMUDYNFEDZCIV-UHFFFAOYSA-N 2 2 322.456 3.254 10 0 DGAELP Cc1nc2ccccn2c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000393402261 1197718460 /nfs/dbraw/zinc/71/84/60/1197718460.db2.gz ZKMUDYNFEDZCIV-UHFFFAOYSA-N 2 2 322.456 3.254 10 0 DGAELP c1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000119687586 1200107245 /nfs/dbraw/zinc/10/72/45/1200107245.db2.gz DRROVELQJZRSIO-UHFFFAOYSA-N 2 2 315.486 3.050 10 0 DGAELP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000718030945 1104486003 /nfs/dbraw/zinc/48/60/03/1104486003.db2.gz GCQVQKBQYRUJCH-FFZOFVMBSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000718030945 1104486009 /nfs/dbraw/zinc/48/60/09/1104486009.db2.gz GCQVQKBQYRUJCH-FFZOFVMBSA-N 2 2 316.489 3.444 10 0 DGAELP CCc1cc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)nc(C)[nH+]1 ZINC000302043086 529531579 /nfs/dbraw/zinc/53/15/79/529531579.db2.gz JBRYETAWGMDPRY-QGZVFWFLSA-N 2 2 302.466 3.192 10 0 DGAELP CCc1cc(NC2CCN(c3cccc(C)[nH+]3)CC2)nc(C)[nH+]1 ZINC000302045981 529554187 /nfs/dbraw/zinc/55/41/87/529554187.db2.gz KPHFWEMRNWEIFL-UHFFFAOYSA-N 2 2 311.433 3.132 10 0 DGAELP Fc1cc(F)cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812411 185343156 /nfs/dbraw/zinc/34/31/56/185343156.db2.gz BEAXYFFPVSHGCM-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cc(F)cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812411 185343157 /nfs/dbraw/zinc/34/31/57/185343157.db2.gz BEAXYFFPVSHGCM-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000172535967 198111783 /nfs/dbraw/zinc/11/17/83/198111783.db2.gz FWPPZJNOPDACFX-AWEZNQCLSA-N 2 2 304.463 3.090 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2scnc2C)C1 ZINC000172535967 198111784 /nfs/dbraw/zinc/11/17/84/198111784.db2.gz FWPPZJNOPDACFX-AWEZNQCLSA-N 2 2 304.463 3.090 10 0 DGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)nc1 ZINC000179105461 432040782 /nfs/dbraw/zinc/04/07/82/432040782.db2.gz DEQKTJCUFWKAHH-ZDUSSCGKSA-N 2 2 316.836 3.450 10 0 DGAELP C[C@@H]1CCC[C@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133390882 432062654 /nfs/dbraw/zinc/06/26/54/432062654.db2.gz BROHPXFTOSNTND-MSOLQXFVSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@@H]1CCC[C@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133390882 432062657 /nfs/dbraw/zinc/06/26/57/432062657.db2.gz BROHPXFTOSNTND-MSOLQXFVSA-N 2 2 318.509 3.106 10 0 DGAELP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000179817309 432071962 /nfs/dbraw/zinc/07/19/62/432071962.db2.gz MVIMZQWFZQSBOL-HNNXBMFYSA-N 2 2 312.417 3.032 10 0 DGAELP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179817309 432071964 /nfs/dbraw/zinc/07/19/64/432071964.db2.gz MVIMZQWFZQSBOL-HNNXBMFYSA-N 2 2 312.417 3.032 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423125 199157676 /nfs/dbraw/zinc/15/76/76/199157676.db2.gz SXSVARFTDXMOAN-OCCSQVGLSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000180423125 199157677 /nfs/dbraw/zinc/15/76/77/199157677.db2.gz SXSVARFTDXMOAN-OCCSQVGLSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423125 199157679 /nfs/dbraw/zinc/15/76/79/199157679.db2.gz SXSVARFTDXMOAN-OCCSQVGLSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423125 199157681 /nfs/dbraw/zinc/15/76/81/199157681.db2.gz SXSVARFTDXMOAN-OCCSQVGLSA-N 2 2 318.490 3.188 10 0 DGAELP C[NH+](C)C1CC([NH2+]Cc2cc(Cl)ccc2OC(F)F)C1 ZINC000576052384 316089082 /nfs/dbraw/zinc/08/90/82/316089082.db2.gz JKYQLULUJMOCCP-UHFFFAOYSA-N 2 2 304.768 3.124 10 0 DGAELP Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000188091697 200192090 /nfs/dbraw/zinc/19/20/90/200192090.db2.gz FHRCAWHCROMCAG-UKRRQHHQSA-N 2 2 307.401 3.383 10 0 DGAELP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3Cl)CC2)CCO1 ZINC000170928337 432087579 /nfs/dbraw/zinc/08/75/79/432087579.db2.gz ARGZZIKRAUSQOB-HNNXBMFYSA-N 2 2 322.880 3.068 10 0 DGAELP c1cn(-c2csc(C[NH2+]Cc3ccc4c(n3)CCCC4)c2)c[nH+]1 ZINC000444008345 239249873 /nfs/dbraw/zinc/24/98/73/239249873.db2.gz HUBDOBTYHZNHGA-UHFFFAOYSA-N 2 2 324.453 3.497 10 0 DGAELP Clc1ncccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171081722 432101478 /nfs/dbraw/zinc/10/14/78/432101478.db2.gz SSZAFENBXAXYFI-CYBMUJFWSA-N 2 2 302.809 3.064 10 0 DGAELP Clc1ncccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171081722 432101480 /nfs/dbraw/zinc/10/14/80/432101480.db2.gz SSZAFENBXAXYFI-CYBMUJFWSA-N 2 2 302.809 3.064 10 0 DGAELP C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900786 432103043 /nfs/dbraw/zinc/10/30/43/432103043.db2.gz IDEYJIBZURGBOJ-JXFKEZNVSA-N 2 2 321.424 3.431 10 0 DGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)o1 ZINC000275515166 212387186 /nfs/dbraw/zinc/38/71/86/212387186.db2.gz KQSDZTDHUFFIIR-VAGZCVSGSA-N 2 2 315.417 3.146 10 0 DGAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)no1 ZINC000459426094 243366619 /nfs/dbraw/zinc/36/66/19/243366619.db2.gz ICHGUJBMCPIZNY-XJKSGUPXSA-N 2 2 305.447 3.217 10 0 DGAELP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)no1 ZINC000459426094 243366625 /nfs/dbraw/zinc/36/66/25/243366625.db2.gz ICHGUJBMCPIZNY-XJKSGUPXSA-N 2 2 305.447 3.217 10 0 DGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2OC)C1 ZINC000093742235 193298999 /nfs/dbraw/zinc/29/89/99/193298999.db2.gz QZQOABMYOGCQBJ-LKUPDRCFSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2OC)C1 ZINC000093742235 193299001 /nfs/dbraw/zinc/29/90/01/193299001.db2.gz QZQOABMYOGCQBJ-LKUPDRCFSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000093742235 193299002 /nfs/dbraw/zinc/29/90/02/193299002.db2.gz QZQOABMYOGCQBJ-LKUPDRCFSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000093742235 193299004 /nfs/dbraw/zinc/29/90/04/193299004.db2.gz QZQOABMYOGCQBJ-LKUPDRCFSA-N 2 2 302.462 3.372 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123596386 284241426 /nfs/dbraw/zinc/24/14/26/284241426.db2.gz FXHLTIPHBHMRHV-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123596386 284241430 /nfs/dbraw/zinc/24/14/30/284241430.db2.gz FXHLTIPHBHMRHV-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123596386 284241434 /nfs/dbraw/zinc/24/14/34/284241434.db2.gz FXHLTIPHBHMRHV-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123596386 284241437 /nfs/dbraw/zinc/24/14/37/284241437.db2.gz FXHLTIPHBHMRHV-CJNGLKHVSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123596142 284241448 /nfs/dbraw/zinc/24/14/48/284241448.db2.gz FXHLTIPHBHMRHV-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123596142 284241452 /nfs/dbraw/zinc/24/14/52/284241452.db2.gz FXHLTIPHBHMRHV-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123596142 284241456 /nfs/dbraw/zinc/24/14/56/284241456.db2.gz FXHLTIPHBHMRHV-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123596142 284241459 /nfs/dbraw/zinc/24/14/59/284241459.db2.gz FXHLTIPHBHMRHV-XJKSGUPXSA-N 2 2 317.408 3.395 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[NH+]1CCCC1)CCCC2 ZINC000489611725 245329758 /nfs/dbraw/zinc/32/97/58/245329758.db2.gz XGPZACJUMUQTAE-IBGZPJMESA-N 2 2 314.473 3.465 10 0 DGAELP CC1(C)CC([NH2+]Cc2ccc(Br)o2)CC(C)(C)[NH2+]1 ZINC000020143175 182191593 /nfs/dbraw/zinc/19/15/93/182191593.db2.gz WTJCCRKLFVIQOS-UHFFFAOYSA-N 2 2 315.255 3.441 10 0 DGAELP Cc1ccc(CCC[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000181569326 432135739 /nfs/dbraw/zinc/13/57/39/432135739.db2.gz HRJLTDWVCNSMCZ-SFHVURJKSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1ccc(CCC[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000181569326 432135743 /nfs/dbraw/zinc/13/57/43/432135743.db2.gz HRJLTDWVCNSMCZ-SFHVURJKSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1cc(NN2CC[NH+](C)CC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570987 183103911 /nfs/dbraw/zinc/10/39/11/183103911.db2.gz AJANRMJIPGBTRJ-UHFFFAOYSA-N 2 2 324.350 3.136 10 0 DGAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042580112 183287207 /nfs/dbraw/zinc/28/72/07/183287207.db2.gz FXDZAOQXVGJUHX-LLVKDONJSA-N 2 2 301.228 3.162 10 0 DGAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042580112 183287209 /nfs/dbraw/zinc/28/72/09/183287209.db2.gz FXDZAOQXVGJUHX-LLVKDONJSA-N 2 2 301.228 3.162 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000105897886 194163506 /nfs/dbraw/zinc/16/35/06/194163506.db2.gz FNSHFMVDTLVSBI-OAHLLOKOSA-N 2 2 323.444 3.169 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000105897886 194163509 /nfs/dbraw/zinc/16/35/09/194163509.db2.gz FNSHFMVDTLVSBI-OAHLLOKOSA-N 2 2 323.444 3.169 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000249192186 285062668 /nfs/dbraw/zinc/06/26/68/285062668.db2.gz AMRLKGZXGSMJGW-BPQIPLTHSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000249192186 285062674 /nfs/dbraw/zinc/06/26/74/285062674.db2.gz AMRLKGZXGSMJGW-BPQIPLTHSA-N 2 2 302.462 3.054 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295016208 224380833 /nfs/dbraw/zinc/38/08/33/224380833.db2.gz MPWJZWQMZYQWLY-PXNSSMCTSA-N 2 2 309.457 3.043 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295016208 224380834 /nfs/dbraw/zinc/38/08/34/224380834.db2.gz MPWJZWQMZYQWLY-PXNSSMCTSA-N 2 2 309.457 3.043 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000616608260 400182895 /nfs/dbraw/zinc/18/28/95/400182895.db2.gz QRGGOCDYYZCFIE-HNNXBMFYSA-N 2 2 305.422 3.129 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000616608260 400182897 /nfs/dbraw/zinc/18/28/97/400182897.db2.gz QRGGOCDYYZCFIE-HNNXBMFYSA-N 2 2 305.422 3.129 10 0 DGAELP CCOC[C@@](C)(C[NH3+])[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306847640 400127186 /nfs/dbraw/zinc/12/71/86/400127186.db2.gz KDYRGEFYJFIMAH-HXUWFJFHSA-N 2 2 312.457 3.443 10 0 DGAELP CC[NH+](CC)CCC[NH2+]Cc1ccsc1Br ZINC000388992794 400267857 /nfs/dbraw/zinc/26/78/57/400267857.db2.gz VJKYZROPMAXXNH-UHFFFAOYSA-N 2 2 305.285 3.332 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428538 400294871 /nfs/dbraw/zinc/29/48/71/400294871.db2.gz GFCKRWUEIBKBKE-GDBMZVCRSA-N 2 2 301.459 3.286 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]Cc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000404428538 400294873 /nfs/dbraw/zinc/29/48/73/400294873.db2.gz GFCKRWUEIBKBKE-GDBMZVCRSA-N 2 2 301.459 3.286 10 0 DGAELP c1c[nH+]c([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)[nH]1 ZINC000090554481 401268712 /nfs/dbraw/zinc/26/87/12/401268712.db2.gz FBQXUJUPSFYCCK-KRWDZBQOSA-N 2 2 310.445 3.042 10 0 DGAELP c1c[nH+]c([C@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)[nH]1 ZINC000090554481 401268717 /nfs/dbraw/zinc/26/87/17/401268717.db2.gz FBQXUJUPSFYCCK-KRWDZBQOSA-N 2 2 310.445 3.042 10 0 DGAELP C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@H]1C[NH3+] ZINC000634998376 401398196 /nfs/dbraw/zinc/39/81/96/401398196.db2.gz DYXWRSZALQJLQE-HTQZYQBOSA-N 2 2 323.687 3.191 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@H]1C[NH3+] ZINC000634998376 401398199 /nfs/dbraw/zinc/39/81/99/401398199.db2.gz DYXWRSZALQJLQE-HTQZYQBOSA-N 2 2 323.687 3.191 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631885899 401563870 /nfs/dbraw/zinc/56/38/70/401563870.db2.gz CLCVEJYMMABAMK-JQWIXIFHSA-N 2 2 315.280 3.085 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)s1 ZINC000631885899 401563875 /nfs/dbraw/zinc/56/38/75/401563875.db2.gz CLCVEJYMMABAMK-JQWIXIFHSA-N 2 2 315.280 3.085 10 0 DGAELP OCCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000188061089 165110701 /nfs/dbraw/zinc/11/07/01/165110701.db2.gz BFIAQZHSMYOFQG-UHFFFAOYSA-N 2 2 322.880 3.057 10 0 DGAELP C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078137 165229609 /nfs/dbraw/zinc/22/96/09/165229609.db2.gz STACRJUOXXLBQZ-KXBFYZLASA-N 2 2 313.445 3.464 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000191426187 165250535 /nfs/dbraw/zinc/25/05/35/165250535.db2.gz BJDWRPGEJACKON-SFHVURJKSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000191426187 165250539 /nfs/dbraw/zinc/25/05/39/165250539.db2.gz BJDWRPGEJACKON-SFHVURJKSA-N 2 2 321.428 3.042 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000192149144 165283588 /nfs/dbraw/zinc/28/35/88/165283588.db2.gz DLOUWFYCAXNTOC-LJQANCHMSA-N 2 2 307.397 3.004 10 0 DGAELP c1cc2n(c1)CC[N@@H+](CCC[NH+]1CCCC1)[C@H]2c1ccccc1 ZINC000193468079 165327499 /nfs/dbraw/zinc/32/74/99/165327499.db2.gz XKEIZIXCUAUSES-FQEVSTJZSA-N 2 2 309.457 3.379 10 0 DGAELP c1cc2n(c1)CC[N@H+](CCC[NH+]1CCCC1)[C@H]2c1ccccc1 ZINC000193468079 165327501 /nfs/dbraw/zinc/32/75/01/165327501.db2.gz XKEIZIXCUAUSES-FQEVSTJZSA-N 2 2 309.457 3.379 10 0 DGAELP Cc1cc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(C)s1 ZINC000195028558 165359823 /nfs/dbraw/zinc/35/98/23/165359823.db2.gz WGZGQVVJJZSKMW-CYBMUJFWSA-N 2 2 308.491 3.050 10 0 DGAELP Cc1cc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C)s1 ZINC000195028558 165359825 /nfs/dbraw/zinc/35/98/25/165359825.db2.gz WGZGQVVJJZSKMW-CYBMUJFWSA-N 2 2 308.491 3.050 10 0 DGAELP Fc1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647180 432156816 /nfs/dbraw/zinc/15/68/16/432156816.db2.gz MWRLDUPLOTUSLL-OAHLLOKOSA-N 2 2 315.392 3.034 10 0 DGAELP Fc1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647180 432156820 /nfs/dbraw/zinc/15/68/20/432156820.db2.gz MWRLDUPLOTUSLL-OAHLLOKOSA-N 2 2 315.392 3.034 10 0 DGAELP Cc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190488088 432162629 /nfs/dbraw/zinc/16/26/29/432162629.db2.gz NKPVMAMUDMOALE-LJQANCHMSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190488088 432162634 /nfs/dbraw/zinc/16/26/34/432162634.db2.gz NKPVMAMUDMOALE-LJQANCHMSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190488088 432162638 /nfs/dbraw/zinc/16/26/38/432162638.db2.gz NKPVMAMUDMOALE-LJQANCHMSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190488088 432162640 /nfs/dbraw/zinc/16/26/40/432162640.db2.gz NKPVMAMUDMOALE-LJQANCHMSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1ccc2[nH+]c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246935658 432183460 /nfs/dbraw/zinc/18/34/60/432183460.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2[nH+]c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000246935658 432183464 /nfs/dbraw/zinc/18/34/64/432183464.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246935658 432183465 /nfs/dbraw/zinc/18/34/65/432183465.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246935658 432183467 /nfs/dbraw/zinc/18/34/67/432183467.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246935658 432183469 /nfs/dbraw/zinc/18/34/69/432183469.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP CCOc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000151107384 432219783 /nfs/dbraw/zinc/21/97/83/432219783.db2.gz CPONDTJFNAOREE-QGZVFWFLSA-N 2 2 311.429 3.414 10 0 DGAELP CCOc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000151107384 432219789 /nfs/dbraw/zinc/21/97/89/432219789.db2.gz CPONDTJFNAOREE-QGZVFWFLSA-N 2 2 311.429 3.414 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccccc1OC1CCCC1)C2 ZINC000368080468 271131674 /nfs/dbraw/zinc/13/16/74/271131674.db2.gz CWWLMUSSEJMDEB-HNNXBMFYSA-N 2 2 311.429 3.378 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)CC2 ZINC000368080468 271131675 /nfs/dbraw/zinc/13/16/75/271131675.db2.gz CWWLMUSSEJMDEB-HNNXBMFYSA-N 2 2 311.429 3.378 10 0 DGAELP c1ccc(N2CCC(Nc3cc[nH+]c4ccccc34)CC2)[nH+]c1 ZINC000369149715 271247454 /nfs/dbraw/zinc/24/74/54/271247454.db2.gz PUGCRWDQNPOFTH-UHFFFAOYSA-N 2 2 304.397 3.133 10 0 DGAELP C[C@H]1CCCC[C@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057691 432254326 /nfs/dbraw/zinc/25/43/26/432254326.db2.gz AMJHQJUPGKEIAS-ROUUACIJSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@H]1CCCC[C@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057691 432254330 /nfs/dbraw/zinc/25/43/30/432254330.db2.gz AMJHQJUPGKEIAS-ROUUACIJSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@H]1CCCC[C@@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057648 432255227 /nfs/dbraw/zinc/25/52/27/432255227.db2.gz AMJHQJUPGKEIAS-ZWKOTPCHSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@H]1CCCC[C@@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057648 432255228 /nfs/dbraw/zinc/25/52/28/432255228.db2.gz AMJHQJUPGKEIAS-ZWKOTPCHSA-N 2 2 318.509 3.106 10 0 DGAELP c1[nH+]cn2c1c(NC1CC[NH+](C3CCC3)CC1)nc1ccccc12 ZINC000624260531 429932848 /nfs/dbraw/zinc/93/28/48/429932848.db2.gz QOXRJQRQFRMCLU-UHFFFAOYSA-N 2 2 321.428 3.311 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247087763 277081888 /nfs/dbraw/zinc/08/18/88/277081888.db2.gz PEQYEGQJNYUEPK-WFASDCNBSA-N 2 2 314.351 3.256 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247087763 277081890 /nfs/dbraw/zinc/08/18/90/277081890.db2.gz PEQYEGQJNYUEPK-WFASDCNBSA-N 2 2 314.351 3.256 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000113500027 431348579 /nfs/dbraw/zinc/34/85/79/431348579.db2.gz YUSPJPCSYXJGED-UHFFFAOYSA-N 2 2 311.429 3.400 10 0 DGAELP Cc1cccc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)[nH+]1 ZINC000114184738 431375609 /nfs/dbraw/zinc/37/56/09/431375609.db2.gz CBOPVUUMLHEZAG-HUUCEWRRSA-N 2 2 312.417 3.011 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000081096665 431782703 /nfs/dbraw/zinc/78/27/03/431782703.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 3 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000081096665 431782706 /nfs/dbraw/zinc/78/27/06/431782706.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 3 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000081096665 431782711 /nfs/dbraw/zinc/78/27/11/431782711.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 3 2 312.461 3.034 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000122910472 431849073 /nfs/dbraw/zinc/84/90/73/431849073.db2.gz OVMOUESWOYHMSQ-MRXNPFEDSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc3c(C)cccn23)C1 ZINC000122910472 431849076 /nfs/dbraw/zinc/84/90/76/431849076.db2.gz OVMOUESWOYHMSQ-MRXNPFEDSA-N 2 2 323.444 3.239 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916188 431851362 /nfs/dbraw/zinc/85/13/62/431851362.db2.gz YOTKABGRFFDVLT-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037916188 431851364 /nfs/dbraw/zinc/85/13/64/431851364.db2.gz YOTKABGRFFDVLT-HOCLYGCPSA-N 2 2 323.278 3.413 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123029310 431852806 /nfs/dbraw/zinc/85/28/06/431852806.db2.gz WUVGIYAWCOVDOL-JKSUJKDBSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123029310 431852808 /nfs/dbraw/zinc/85/28/08/431852808.db2.gz WUVGIYAWCOVDOL-JKSUJKDBSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123029310 431852809 /nfs/dbraw/zinc/85/28/09/431852809.db2.gz WUVGIYAWCOVDOL-JKSUJKDBSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123029310 431852810 /nfs/dbraw/zinc/85/28/10/431852810.db2.gz WUVGIYAWCOVDOL-JKSUJKDBSA-N 2 2 317.477 3.163 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123078597 431853923 /nfs/dbraw/zinc/85/39/23/431853923.db2.gz FTZYIOKZBZQHEX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123078597 431853924 /nfs/dbraw/zinc/85/39/24/431853924.db2.gz FTZYIOKZBZQHEX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123078597 431853927 /nfs/dbraw/zinc/85/39/27/431853927.db2.gz FTZYIOKZBZQHEX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123078597 431853928 /nfs/dbraw/zinc/85/39/28/431853928.db2.gz FTZYIOKZBZQHEX-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127652 432270953 /nfs/dbraw/zinc/27/09/53/432270953.db2.gz OCJWJYVMTQPAPK-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127652 432270955 /nfs/dbraw/zinc/27/09/55/432270955.db2.gz OCJWJYVMTQPAPK-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127652 432270958 /nfs/dbraw/zinc/27/09/58/432270958.db2.gz OCJWJYVMTQPAPK-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127652 432270961 /nfs/dbraw/zinc/27/09/61/432270961.db2.gz OCJWJYVMTQPAPK-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP COc1cccc2c(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc[nH+]c12 ZINC000249647651 432352923 /nfs/dbraw/zinc/35/29/23/432352923.db2.gz XXQANSQQFSCPCR-GOEBONIOSA-N 2 2 311.429 3.164 10 0 DGAELP COc1cccc2c(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc[nH+]c12 ZINC000249647651 432352927 /nfs/dbraw/zinc/35/29/27/432352927.db2.gz XXQANSQQFSCPCR-GOEBONIOSA-N 2 2 311.429 3.164 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717153 432459082 /nfs/dbraw/zinc/45/90/82/432459082.db2.gz NWSJHQPZHGEWLB-CZUORRHYSA-N 2 2 320.868 3.150 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717153 432459086 /nfs/dbraw/zinc/45/90/86/432459086.db2.gz NWSJHQPZHGEWLB-CZUORRHYSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717153 432459089 /nfs/dbraw/zinc/45/90/89/432459089.db2.gz NWSJHQPZHGEWLB-CZUORRHYSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717153 432459091 /nfs/dbraw/zinc/45/90/91/432459091.db2.gz NWSJHQPZHGEWLB-CZUORRHYSA-N 2 2 320.868 3.150 10 0 DGAELP CCC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CC[NH2+]CC1 ZINC000261643467 432437339 /nfs/dbraw/zinc/43/73/39/432437339.db2.gz DNMFXDFXGJJTEN-UHFFFAOYSA-N 2 2 317.408 3.445 10 0 DGAELP CCC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CC[NH2+]CC1 ZINC000261643467 432437342 /nfs/dbraw/zinc/43/73/42/432437342.db2.gz DNMFXDFXGJJTEN-UHFFFAOYSA-N 2 2 317.408 3.445 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262122211 432475068 /nfs/dbraw/zinc/47/50/68/432475068.db2.gz XJEJXKRMXVBSJU-CRAIPNDOSA-N 2 2 321.896 3.018 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262122211 432475069 /nfs/dbraw/zinc/47/50/69/432475069.db2.gz XJEJXKRMXVBSJU-CRAIPNDOSA-N 2 2 321.896 3.018 10 0 DGAELP COc1ccsc1[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000186103675 432558825 /nfs/dbraw/zinc/55/88/25/432558825.db2.gz ISCDXRYOOGWYQJ-LBPRGKRZSA-N 2 2 314.414 3.188 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000192517716 288361569 /nfs/dbraw/zinc/36/15/69/288361569.db2.gz ZZDKVQDLNYPQOY-NEWSRXKRSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000192517716 288361570 /nfs/dbraw/zinc/36/15/70/288361570.db2.gz ZZDKVQDLNYPQOY-NEWSRXKRSA-N 2 2 302.462 3.056 10 0 DGAELP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178124681 432697910 /nfs/dbraw/zinc/69/79/10/432697910.db2.gz RFWJRXLYLXLPSC-ZIAGYGMSSA-N 2 2 309.417 3.326 10 0 DGAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000162219294 432817413 /nfs/dbraw/zinc/81/74/13/432817413.db2.gz HHFPVVYTEURVMQ-IBGZPJMESA-N 2 2 315.461 3.397 10 0 DGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245523501 432839262 /nfs/dbraw/zinc/83/92/62/432839262.db2.gz DGCNJAHQSZEAFW-PKOBYXMFSA-N 2 2 302.462 3.090 10 0 DGAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245523501 432839265 /nfs/dbraw/zinc/83/92/65/432839265.db2.gz DGCNJAHQSZEAFW-PKOBYXMFSA-N 2 2 302.462 3.090 10 0 DGAELP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000161497190 432783341 /nfs/dbraw/zinc/78/33/41/432783341.db2.gz VKRXHWRXWVDBNO-GFCCVEGCSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c(F)c1 ZINC000161497190 432783344 /nfs/dbraw/zinc/78/33/44/432783344.db2.gz VKRXHWRXWVDBNO-GFCCVEGCSA-N 2 2 315.230 3.292 10 0 DGAELP Cc1n[nH]cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245752902 432861513 /nfs/dbraw/zinc/86/15/13/432861513.db2.gz HHKWQWHHXQHICM-AZUAARDMSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1n[nH]cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245752902 432861514 /nfs/dbraw/zinc/86/15/14/432861514.db2.gz HHKWQWHHXQHICM-AZUAARDMSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1n[nH]cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245752902 432861515 /nfs/dbraw/zinc/86/15/15/432861515.db2.gz HHKWQWHHXQHICM-AZUAARDMSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1n[nH]cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245752902 432861518 /nfs/dbraw/zinc/86/15/18/432861518.db2.gz HHKWQWHHXQHICM-AZUAARDMSA-N 2 2 324.472 3.205 10 0 DGAELP CCCn1c2ccccc2nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245765142 432862225 /nfs/dbraw/zinc/86/22/25/432862225.db2.gz QPHJIVNKGODWCW-HOTGVXAUSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245765142 432862227 /nfs/dbraw/zinc/86/22/27/432862227.db2.gz QPHJIVNKGODWCW-HOTGVXAUSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245765142 432862228 /nfs/dbraw/zinc/86/22/28/432862228.db2.gz QPHJIVNKGODWCW-HOTGVXAUSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245765142 432862229 /nfs/dbraw/zinc/86/22/29/432862229.db2.gz QPHJIVNKGODWCW-HOTGVXAUSA-N 2 2 314.477 3.361 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000341387729 433044420 /nfs/dbraw/zinc/04/44/20/433044420.db2.gz YTKBYIPMZMKPSL-DFEOGRTESA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000341387729 433044425 /nfs/dbraw/zinc/04/44/25/433044425.db2.gz YTKBYIPMZMKPSL-DFEOGRTESA-N 2 2 306.494 3.188 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)c[nH+]1 ZINC000280382844 433043476 /nfs/dbraw/zinc/04/34/76/433043476.db2.gz VYXNBPPMKZZQAA-GOSISDBHSA-N 2 2 319.412 3.293 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000446977791 433141887 /nfs/dbraw/zinc/14/18/87/433141887.db2.gz RQABJHNDYFQFTR-YJBOKZPZSA-N 2 2 302.462 3.233 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000446977791 433141894 /nfs/dbraw/zinc/14/18/94/433141894.db2.gz RQABJHNDYFQFTR-YJBOKZPZSA-N 2 2 302.462 3.233 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021336 433345134 /nfs/dbraw/zinc/34/51/34/433345134.db2.gz ICPJQGKOTVEFLS-QAPCUYQASA-N 2 2 304.478 3.336 10 0 DGAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021336 433345142 /nfs/dbraw/zinc/34/51/42/433345142.db2.gz ICPJQGKOTVEFLS-QAPCUYQASA-N 2 2 304.478 3.336 10 0 DGAELP c1[nH+]c([C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)n2c1CCCC2 ZINC000281843952 433402689 /nfs/dbraw/zinc/40/26/89/433402689.db2.gz IZVNJGLAYUANFY-AWEZNQCLSA-N 2 2 321.428 3.480 10 0 DGAELP Cc1ccncc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000373829282 293321123 /nfs/dbraw/zinc/32/11/23/293321123.db2.gz RNMHKZOONUUNTE-UHFFFAOYSA-N 2 2 313.420 3.283 10 0 DGAELP c1cc(-c2ccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)o2)n[nH]1 ZINC000375746397 293565038 /nfs/dbraw/zinc/56/50/38/293565038.db2.gz SZXTWKRBVMGXLZ-UHFFFAOYSA-N 2 2 319.368 3.145 10 0 DGAELP Cc1[nH+]ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1Cl ZINC000357330046 433956515 /nfs/dbraw/zinc/95/65/15/433956515.db2.gz AXCLEYATQKLHAC-UHFFFAOYSA-N 2 2 312.804 3.322 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340356607 434084780 /nfs/dbraw/zinc/08/47/80/434084780.db2.gz QMPISCYQHQLHND-MJGOQNOKSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340356607 434084790 /nfs/dbraw/zinc/08/47/90/434084790.db2.gz QMPISCYQHQLHND-MJGOQNOKSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000313310849 434127560 /nfs/dbraw/zinc/12/75/60/434127560.db2.gz XCTKBBRCTNJXEQ-LLVKDONJSA-N 2 2 308.223 3.076 10 0 DGAELP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)cc1 ZINC000313262535 434129273 /nfs/dbraw/zinc/12/92/73/434129273.db2.gz KQCHYWMNRFXIRO-HNNXBMFYSA-N 2 2 322.250 3.466 10 0 DGAELP CCOc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OCC ZINC000358175223 434364039 /nfs/dbraw/zinc/36/40/39/434364039.db2.gz ZXBFGDMVDVTYJK-UHFFFAOYSA-N 2 2 318.461 3.226 10 0 DGAELP CCOc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OCC ZINC000358175223 434364047 /nfs/dbraw/zinc/36/40/47/434364047.db2.gz ZXBFGDMVDVTYJK-UHFFFAOYSA-N 2 2 318.461 3.226 10 0 DGAELP COc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1OC(C)C ZINC000358158493 434356544 /nfs/dbraw/zinc/35/65/44/434356544.db2.gz AQTSIMSYLCWKLD-UHFFFAOYSA-N 2 2 318.461 3.224 10 0 DGAELP COc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1OC(C)C ZINC000358158493 434356555 /nfs/dbraw/zinc/35/65/55/434356555.db2.gz AQTSIMSYLCWKLD-UHFFFAOYSA-N 2 2 318.461 3.224 10 0 DGAELP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CO1 ZINC000397951841 434445907 /nfs/dbraw/zinc/44/59/07/434445907.db2.gz PQHJMUBEPODQEK-MJGOQNOKSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)CO1 ZINC000397951841 434445916 /nfs/dbraw/zinc/44/59/16/434445916.db2.gz PQHJMUBEPODQEK-MJGOQNOKSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923060 434446285 /nfs/dbraw/zinc/44/62/85/434446285.db2.gz PJKVFQWIEYVVBM-XUVXKRRUSA-N 3 2 315.505 3.148 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923060 434446293 /nfs/dbraw/zinc/44/62/93/434446293.db2.gz PJKVFQWIEYVVBM-XUVXKRRUSA-N 3 2 315.505 3.148 10 0 DGAELP C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400748900 434489289 /nfs/dbraw/zinc/48/92/89/434489289.db2.gz UZVVWCHAMTVYTI-VQIMIIECSA-N 2 2 310.441 3.496 10 0 DGAELP COC[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000397972190 434450049 /nfs/dbraw/zinc/45/00/49/434450049.db2.gz BVZHTTGDEGJTAA-RTBURBONSA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000397972190 434450057 /nfs/dbraw/zinc/45/00/57/434450057.db2.gz BVZHTTGDEGJTAA-RTBURBONSA-N 2 2 304.478 3.302 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000397979596 434450715 /nfs/dbraw/zinc/45/07/15/434450715.db2.gz GBOZWJZJFXIMSK-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000397979596 434450722 /nfs/dbraw/zinc/45/07/22/434450722.db2.gz GBOZWJZJFXIMSK-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000527646791 295109082 /nfs/dbraw/zinc/10/90/82/295109082.db2.gz YSMYPEXBNPXZFF-NSHDSACASA-N 2 2 317.296 3.332 10 0 DGAELP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000527646791 295109083 /nfs/dbraw/zinc/10/90/83/295109083.db2.gz YSMYPEXBNPXZFF-NSHDSACASA-N 2 2 317.296 3.332 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527812621 295134971 /nfs/dbraw/zinc/13/49/71/295134971.db2.gz VKYBKHRMUSTLTR-VXNCWWDNSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527812621 295134972 /nfs/dbraw/zinc/13/49/72/295134972.db2.gz VKYBKHRMUSTLTR-VXNCWWDNSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002794 295164587 /nfs/dbraw/zinc/16/45/87/295164587.db2.gz QXVCNDNPMIJRKR-OWYHZJEWSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002794 295164590 /nfs/dbraw/zinc/16/45/90/295164590.db2.gz QXVCNDNPMIJRKR-OWYHZJEWSA-N 2 2 306.494 3.188 10 0 DGAELP c1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185949 434653648 /nfs/dbraw/zinc/65/36/48/434653648.db2.gz VEMVWLDOZFNIQL-GDBMZVCRSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185949 434653657 /nfs/dbraw/zinc/65/36/57/434653657.db2.gz VEMVWLDOZFNIQL-GDBMZVCRSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185949 434653668 /nfs/dbraw/zinc/65/36/68/434653668.db2.gz VEMVWLDOZFNIQL-GDBMZVCRSA-N 2 2 301.434 3.001 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCOCC3CCC3)C2)n2c1CCCC2 ZINC000419286340 434764663 /nfs/dbraw/zinc/76/46/63/434764663.db2.gz FIAOSHQQEGHLLM-QGZVFWFLSA-N 2 2 317.477 3.216 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCOCC3CCC3)C2)n2c1CCCC2 ZINC000419286340 434764670 /nfs/dbraw/zinc/76/46/70/434764670.db2.gz FIAOSHQQEGHLLM-QGZVFWFLSA-N 2 2 317.477 3.216 10 0 DGAELP c1nc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000573802283 434926423 /nfs/dbraw/zinc/92/64/23/434926423.db2.gz GYQVYHMPHMLUDU-GOSISDBHSA-N 2 2 313.470 3.386 10 0 DGAELP c1nc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000573802283 434926428 /nfs/dbraw/zinc/92/64/28/434926428.db2.gz GYQVYHMPHMLUDU-GOSISDBHSA-N 2 2 313.470 3.386 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)[nH+]c2ccccn12 ZINC000462799567 434929944 /nfs/dbraw/zinc/92/99/44/434929944.db2.gz ZNUAMDKIERUUBK-IXDOHACOSA-N 2 2 313.445 3.062 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466407198 435075765 /nfs/dbraw/zinc/07/57/65/435075765.db2.gz AIDBTZDDWJHHLR-WOCWXWTJSA-N 2 2 316.489 3.300 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000466407198 435075771 /nfs/dbraw/zinc/07/57/71/435075771.db2.gz AIDBTZDDWJHHLR-WOCWXWTJSA-N 2 2 316.489 3.300 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC3CCCCC3)c12 ZINC000532786965 435192927 /nfs/dbraw/zinc/19/29/27/435192927.db2.gz DQDKQEWZJYELQF-UHFFFAOYSA-N 2 2 308.389 3.203 10 0 DGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459369 435167824 /nfs/dbraw/zinc/16/78/24/435167824.db2.gz KKDJPNCKMZFAPO-UZLBHIALSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459369 435167829 /nfs/dbraw/zinc/16/78/29/435167829.db2.gz KKDJPNCKMZFAPO-UZLBHIALSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000514834553 435441847 /nfs/dbraw/zinc/44/18/47/435441847.db2.gz PBWNPRAHJVSSED-XLIONFOSSA-N 2 2 316.489 3.303 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000514834553 435441852 /nfs/dbraw/zinc/44/18/52/435441852.db2.gz PBWNPRAHJVSSED-XLIONFOSSA-N 2 2 316.489 3.303 10 0 DGAELP CCOC1CCC([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000657941002 436345125 /nfs/dbraw/zinc/34/51/25/436345125.db2.gz QBSILVXTTMPXTP-IVMQYODDSA-N 2 2 304.478 3.444 10 0 DGAELP CCOC1CCC([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000657941002 436345128 /nfs/dbraw/zinc/34/51/28/436345128.db2.gz QBSILVXTTMPXTP-IVMQYODDSA-N 2 2 304.478 3.444 10 0 DGAELP C[N@@H+](Cc1ccc(Br)c(F)c1F)CC(C)(C)C[NH3+] ZINC000530211021 313340293 /nfs/dbraw/zinc/34/02/93/313340293.db2.gz LOVVZGFTBGOFLE-UHFFFAOYSA-N 2 2 321.209 3.144 10 0 DGAELP C[N@H+](Cc1ccc(Br)c(F)c1F)CC(C)(C)C[NH3+] ZINC000530211021 313340291 /nfs/dbraw/zinc/34/02/91/313340291.db2.gz LOVVZGFTBGOFLE-UHFFFAOYSA-N 2 2 321.209 3.144 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)[nH+]1 ZINC000533540729 313626839 /nfs/dbraw/zinc/62/68/39/313626839.db2.gz QXVYUHYXNHEHPP-UHFFFAOYSA-N 2 2 319.412 3.246 10 0 DGAELP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000537227962 313803292 /nfs/dbraw/zinc/80/32/92/313803292.db2.gz AVFKWNPBMLAAOS-IEBWSBKVSA-N 2 2 307.441 3.444 10 0 DGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871299 315058867 /nfs/dbraw/zinc/05/88/67/315058867.db2.gz IBSDAJDZZNDLQC-UZLBHIALSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871299 315058870 /nfs/dbraw/zinc/05/88/70/315058870.db2.gz IBSDAJDZZNDLQC-UZLBHIALSA-N 2 2 310.441 3.305 10 0 DGAELP Cc1[nH]c(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[nH+]c1C ZINC000565549925 315270086 /nfs/dbraw/zinc/27/00/86/315270086.db2.gz OTCSVGHLMOUMLC-LJQANCHMSA-N 2 2 312.461 3.171 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccc(F)cc1F ZINC000163381009 522854034 /nfs/dbraw/zinc/85/40/34/522854034.db2.gz LXZMBHSZXOYUFN-WMLDXEAASA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccc(F)cc1F ZINC000163381009 522854039 /nfs/dbraw/zinc/85/40/39/522854039.db2.gz LXZMBHSZXOYUFN-WMLDXEAASA-N 2 2 312.404 3.116 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000163308098 523829622 /nfs/dbraw/zinc/82/96/22/523829622.db2.gz SKBPLXPAQPZATM-NWDGAFQWSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000163308098 523829625 /nfs/dbraw/zinc/82/96/25/523829625.db2.gz SKBPLXPAQPZATM-NWDGAFQWSA-N 2 2 302.871 3.163 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657067 534813683 /nfs/dbraw/zinc/81/36/83/534813683.db2.gz ZYMOJRIMEPIOIB-KSSFIOAISA-N 2 2 311.385 3.176 10 0 DGAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1SC ZINC000136080715 545980994 /nfs/dbraw/zinc/98/09/94/545980994.db2.gz DCGGHCLIDJPGFV-OAHLLOKOSA-N 2 2 317.458 3.278 10 0 DGAELP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)ccc1SC ZINC000136080715 545980998 /nfs/dbraw/zinc/98/09/98/545980998.db2.gz DCGGHCLIDJPGFV-OAHLLOKOSA-N 2 2 317.458 3.278 10 0 DGAELP C[C@H]([NH2+]Cc1noc2c1CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666825 546189831 /nfs/dbraw/zinc/18/98/31/546189831.db2.gz OZVKBKKLGWLDAJ-GJZGRUSLSA-N 2 2 317.477 3.296 10 0 DGAELP C[C@H]([NH2+]Cc1noc2c1CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666825 546189837 /nfs/dbraw/zinc/18/98/37/546189837.db2.gz OZVKBKKLGWLDAJ-GJZGRUSLSA-N 2 2 317.477 3.296 10 0 DGAELP c1ccc2sc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000252458217 546331661 /nfs/dbraw/zinc/33/16/61/546331661.db2.gz RXKXEWIJZBKTGO-UONOGXRCSA-N 2 2 301.459 3.260 10 0 DGAELP c1ccc2sc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000252458217 546331664 /nfs/dbraw/zinc/33/16/64/546331664.db2.gz RXKXEWIJZBKTGO-UONOGXRCSA-N 2 2 301.459 3.260 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]Cc2cscc2Br)CC[N@@H+]1C ZINC000304578278 546440955 /nfs/dbraw/zinc/44/09/55/546440955.db2.gz NRANEIGPAHVBPG-ONGXEEELSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]Cc2cscc2Br)CC[N@H+]1C ZINC000304578278 546440959 /nfs/dbraw/zinc/44/09/59/546440959.db2.gz NRANEIGPAHVBPG-ONGXEEELSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1(C)CC1 ZINC000122353575 622300163 /nfs/dbraw/zinc/30/01/63/622300163.db2.gz VMVGBWJLFWXLNJ-OAHLLOKOSA-N 2 2 301.478 3.500 10 0 DGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C)(O)CC2)CCC1 ZINC000703010786 660754707 /nfs/dbraw/zinc/75/47/07/660754707.db2.gz RQBJGBBGLFFFIE-UHFFFAOYSA-N 2 2 316.489 3.324 10 0 DGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCC(C)(O)CC2)CCC1 ZINC000703010786 660754709 /nfs/dbraw/zinc/75/47/09/660754709.db2.gz RQBJGBBGLFFFIE-UHFFFAOYSA-N 2 2 316.489 3.324 10 0 DGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261889432 655692468 /nfs/dbraw/zinc/69/24/68/655692468.db2.gz SOBBPLLGZPIJCD-QAPCUYQASA-N 2 2 321.896 3.018 10 0 DGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261641907 656940467 /nfs/dbraw/zinc/94/04/67/656940467.db2.gz CJEIXRSSZBKNES-COPLHBTASA-N 2 2 315.244 3.041 10 0 DGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)C[C@H]12 ZINC000261641907 656940471 /nfs/dbraw/zinc/94/04/71/656940471.db2.gz CJEIXRSSZBKNES-COPLHBTASA-N 2 2 315.244 3.041 10 0 DGAELP Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878816 658154746 /nfs/dbraw/zinc/15/47/46/658154746.db2.gz UOVJVOWWAFOWKE-DGCLKSJQSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878816 658154752 /nfs/dbraw/zinc/15/47/52/658154752.db2.gz UOVJVOWWAFOWKE-DGCLKSJQSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720877530 658155069 /nfs/dbraw/zinc/15/50/69/658155069.db2.gz PWCZANHYMUKMOA-XWIASGKRSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720877530 658155074 /nfs/dbraw/zinc/15/50/74/658155074.db2.gz PWCZANHYMUKMOA-XWIASGKRSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC[N@@H+]1Cc1ccccc1 ZINC000353671902 660017327 /nfs/dbraw/zinc/01/73/27/660017327.db2.gz MJBREAJKXRTDDG-AZUAARDMSA-N 2 2 324.472 3.431 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC[N@H+]1Cc1ccccc1 ZINC000353671902 660017329 /nfs/dbraw/zinc/01/73/29/660017329.db2.gz MJBREAJKXRTDDG-AZUAARDMSA-N 2 2 324.472 3.431 10 0 DGAELP c1cn(CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)c[nH+]1 ZINC000075733847 1196414839 /nfs/dbraw/zinc/41/48/39/1196414839.db2.gz SEALWDMTSBMEAC-UHFFFAOYSA-N 2 2 322.412 3.037 10 0 DGAELP c1cn(-c2ccc(C[NH2+]CCCCNc3cccc[nH+]3)cc2)cn1 ZINC000078847560 1196802286 /nfs/dbraw/zinc/80/22/86/1196802286.db2.gz HYTNEFSGJUJUOD-UHFFFAOYSA-N 2 2 321.428 3.249 10 0 DGAELP c1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000236722435 1202622310 /nfs/dbraw/zinc/62/23/10/1202622310.db2.gz FADNVXJIUDQSJA-UHFFFAOYSA-N 2 2 314.473 3.439 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000184730366 1202818256 /nfs/dbraw/zinc/81/82/56/1202818256.db2.gz AFNGILRTYYUTEB-INIZCTEOSA-N 2 2 320.440 3.423 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000184730366 1202818259 /nfs/dbraw/zinc/81/82/59/1202818259.db2.gz AFNGILRTYYUTEB-INIZCTEOSA-N 2 2 320.440 3.423 10 0 DGAELP COCC1(C[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCC1 ZINC000718010267 1104480073 /nfs/dbraw/zinc/48/00/73/1104480073.db2.gz ZMPJOZPAPPHOMF-LJQANCHMSA-N 2 2 316.489 3.303 10 0 DGAELP COCC1(C[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000718010267 1104480075 /nfs/dbraw/zinc/48/00/75/1104480075.db2.gz ZMPJOZPAPPHOMF-LJQANCHMSA-N 2 2 316.489 3.303 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943346 282223496 /nfs/dbraw/zinc/22/34/96/282223496.db2.gz ZIEANYBPSCKDGS-VDZJLULYSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943346 282223499 /nfs/dbraw/zinc/22/34/99/282223499.db2.gz ZIEANYBPSCKDGS-VDZJLULYSA-N 2 2 324.472 3.346 10 0 DGAELP Fc1cccc(F)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812925 185343500 /nfs/dbraw/zinc/34/35/00/185343500.db2.gz BXHAJIDTQQUBKV-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cccc(F)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812925 185343501 /nfs/dbraw/zinc/34/35/01/185343501.db2.gz BXHAJIDTQQUBKV-ZDUSSCGKSA-N 2 2 303.356 3.294 10 0 DGAELP COCc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812591 185343519 /nfs/dbraw/zinc/34/35/19/185343519.db2.gz WBBIZWKMIFUZPQ-SFHVURJKSA-N 2 2 311.429 3.162 10 0 DGAELP COCc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812591 185343520 /nfs/dbraw/zinc/34/35/20/185343520.db2.gz WBBIZWKMIFUZPQ-SFHVURJKSA-N 2 2 311.429 3.162 10 0 DGAELP Fc1cccc(F)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812926 185343130 /nfs/dbraw/zinc/34/31/30/185343130.db2.gz BXHAJIDTQQUBKV-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cccc(F)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812926 185343131 /nfs/dbraw/zinc/34/31/31/185343131.db2.gz BXHAJIDTQQUBKV-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1F ZINC000103473730 432009898 /nfs/dbraw/zinc/00/98/98/432009898.db2.gz KMWFYTCGLLCPAV-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1F ZINC000103473730 432009900 /nfs/dbraw/zinc/00/99/00/432009900.db2.gz KMWFYTCGLLCPAV-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491285 432026474 /nfs/dbraw/zinc/02/64/74/432026474.db2.gz SLCWTSABVQNVKF-IAQYHMDHSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491285 432026475 /nfs/dbraw/zinc/02/64/75/432026475.db2.gz SLCWTSABVQNVKF-IAQYHMDHSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491285 432026477 /nfs/dbraw/zinc/02/64/77/432026477.db2.gz SLCWTSABVQNVKF-IAQYHMDHSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000130491285 432026480 /nfs/dbraw/zinc/02/64/80/432026480.db2.gz SLCWTSABVQNVKF-IAQYHMDHSA-N 2 2 300.368 3.266 10 0 DGAELP CCOC(=O)CCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649887 199190526 /nfs/dbraw/zinc/19/05/26/199190526.db2.gz BNCVITNUYCTIFS-HNNXBMFYSA-N 2 2 315.417 3.256 10 0 DGAELP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180667777 199193076 /nfs/dbraw/zinc/19/30/76/199193076.db2.gz WKIGXVZEKIFQJQ-OXJNMPFZSA-N 2 2 321.424 3.127 10 0 DGAELP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180167051 432080255 /nfs/dbraw/zinc/08/02/55/432080255.db2.gz BMPNOOPQNVFTNU-HNNXBMFYSA-N 2 2 324.431 3.180 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000152965976 299321283 /nfs/dbraw/zinc/32/12/83/299321283.db2.gz SGUBLHMPSXVMQG-WDSOQIARSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000152965976 299321287 /nfs/dbraw/zinc/32/12/87/299321287.db2.gz SGUBLHMPSXVMQG-WDSOQIARSA-N 2 2 302.462 3.056 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195252349 201366094 /nfs/dbraw/zinc/36/60/94/201366094.db2.gz NGVOBISLXHQZDT-HOTGVXAUSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C=CCCC2)C1 ZINC000195252349 201366096 /nfs/dbraw/zinc/36/60/96/201366096.db2.gz NGVOBISLXHQZDT-HOTGVXAUSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000195252349 201366100 /nfs/dbraw/zinc/36/61/00/201366100.db2.gz NGVOBISLXHQZDT-HOTGVXAUSA-N 2 2 305.491 3.314 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C1 ZINC000195252349 201366104 /nfs/dbraw/zinc/36/61/04/201366104.db2.gz NGVOBISLXHQZDT-HOTGVXAUSA-N 2 2 305.491 3.314 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000135123466 432099594 /nfs/dbraw/zinc/09/95/94/432099594.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000135123466 432099596 /nfs/dbraw/zinc/09/95/96/432099596.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000135123466 432099598 /nfs/dbraw/zinc/09/95/98/432099598.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000135123466 432099599 /nfs/dbraw/zinc/09/95/99/432099599.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 2 2 318.461 3.166 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cs1 ZINC000275276979 212242316 /nfs/dbraw/zinc/24/23/16/212242316.db2.gz JWZOAOQOGYYYNJ-OAHLLOKOSA-N 2 2 316.474 3.282 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cs1 ZINC000275276979 212242319 /nfs/dbraw/zinc/24/23/19/212242319.db2.gz JWZOAOQOGYYYNJ-OAHLLOKOSA-N 2 2 316.474 3.282 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246286665 432114195 /nfs/dbraw/zinc/11/41/95/432114195.db2.gz MYZMAABEBCGBBG-WMZOPIPTSA-N 2 2 300.446 3.073 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246286665 432114200 /nfs/dbraw/zinc/11/42/00/432114200.db2.gz MYZMAABEBCGBBG-WMZOPIPTSA-N 2 2 300.446 3.073 10 0 DGAELP Cc1csc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000275205728 212194417 /nfs/dbraw/zinc/19/44/17/212194417.db2.gz AIVJNBMPYWZXFI-CQSZACIVSA-N 2 2 316.474 3.282 10 0 DGAELP Cc1csc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000275205728 212194412 /nfs/dbraw/zinc/19/44/12/212194412.db2.gz AIVJNBMPYWZXFI-CQSZACIVSA-N 2 2 316.474 3.282 10 0 DGAELP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644630 193280991 /nfs/dbraw/zinc/28/09/91/193280991.db2.gz XZYIBYODTFOANF-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644630 193280993 /nfs/dbraw/zinc/28/09/93/193280993.db2.gz XZYIBYODTFOANF-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644630 193280995 /nfs/dbraw/zinc/28/09/95/193280995.db2.gz XZYIBYODTFOANF-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644630 193280997 /nfs/dbraw/zinc/28/09/97/193280997.db2.gz XZYIBYODTFOANF-WBVHZDCISA-N 2 2 320.477 3.399 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093643689 193281530 /nfs/dbraw/zinc/28/15/30/193281530.db2.gz MZTHOLOMDSJABE-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093643689 193281532 /nfs/dbraw/zinc/28/15/32/193281532.db2.gz MZTHOLOMDSJABE-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643689 193281534 /nfs/dbraw/zinc/28/15/34/193281534.db2.gz MZTHOLOMDSJABE-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093643689 193281535 /nfs/dbraw/zinc/28/15/35/193281535.db2.gz MZTHOLOMDSJABE-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@@H+]1C ZINC000093644843 193282360 /nfs/dbraw/zinc/28/23/60/193282360.db2.gz UJXBHJVSEROJBL-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OC(F)(F)F)c2)CC[N@H+]1C ZINC000093644843 193282362 /nfs/dbraw/zinc/28/23/62/193282362.db2.gz UJXBHJVSEROJBL-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644843 193282363 /nfs/dbraw/zinc/28/23/63/193282363.db2.gz UJXBHJVSEROJBL-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC[NH+]1C ZINC000093644843 193282365 /nfs/dbraw/zinc/28/23/65/193282365.db2.gz UJXBHJVSEROJBL-TZMCWYRMSA-N 2 2 316.367 3.500 10 0 DGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643862 193282525 /nfs/dbraw/zinc/28/25/25/193282525.db2.gz IXCKAJKJUPDDBP-DOTOQJQBSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643862 193282527 /nfs/dbraw/zinc/28/25/27/193282527.db2.gz IXCKAJKJUPDDBP-DOTOQJQBSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643862 193282529 /nfs/dbraw/zinc/28/25/29/193282529.db2.gz IXCKAJKJUPDDBP-DOTOQJQBSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643862 193282530 /nfs/dbraw/zinc/28/25/30/193282530.db2.gz IXCKAJKJUPDDBP-DOTOQJQBSA-N 2 2 320.477 3.397 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123595956 284241593 /nfs/dbraw/zinc/24/15/93/284241593.db2.gz FXHLTIPHBHMRHV-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123595956 284241597 /nfs/dbraw/zinc/24/15/97/284241597.db2.gz FXHLTIPHBHMRHV-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123595956 284241599 /nfs/dbraw/zinc/24/15/99/284241599.db2.gz FXHLTIPHBHMRHV-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC[NH+]1C ZINC000123595956 284241603 /nfs/dbraw/zinc/24/16/03/284241603.db2.gz FXHLTIPHBHMRHV-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000181379197 432125917 /nfs/dbraw/zinc/12/59/17/432125917.db2.gz FGXCRUCUEBENGG-GFCCVEGCSA-N 2 2 313.792 3.167 10 0 DGAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000019982991 182173101 /nfs/dbraw/zinc/17/31/01/182173101.db2.gz JGKIAHKWFMJMJF-RISCZKNCSA-N 2 2 302.340 3.317 10 0 DGAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000019982991 182173103 /nfs/dbraw/zinc/17/31/03/182173103.db2.gz JGKIAHKWFMJMJF-RISCZKNCSA-N 2 2 302.340 3.317 10 0 DGAELP Cc1ccc(CCC[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000181569310 432135161 /nfs/dbraw/zinc/13/51/61/432135161.db2.gz HRJLTDWVCNSMCZ-GOSISDBHSA-N 2 2 316.489 3.113 10 0 DGAELP Cc1ccc(CCC[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000181569310 432135164 /nfs/dbraw/zinc/13/51/64/432135164.db2.gz HRJLTDWVCNSMCZ-GOSISDBHSA-N 2 2 316.489 3.113 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000246527245 432140531 /nfs/dbraw/zinc/14/05/31/432140531.db2.gz VBAFHNZBZZJDKX-DZGCQCFKSA-N 2 2 316.474 3.025 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000246527245 432140535 /nfs/dbraw/zinc/14/05/35/432140535.db2.gz VBAFHNZBZZJDKX-DZGCQCFKSA-N 2 2 316.474 3.025 10 0 DGAELP CC[NH+](CC)CCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040403971 183062521 /nfs/dbraw/zinc/06/25/21/183062521.db2.gz LKPVTHUMDSJZEV-UHFFFAOYSA-N 3 2 322.884 3.313 10 0 DGAELP [NH3+]CC[N@H+](Cc1ccc(Br)cc1F)C1CCCC1 ZINC000042428316 183269460 /nfs/dbraw/zinc/26/94/60/183269460.db2.gz LXMDIYKTNPWZGV-UHFFFAOYSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[N@@H+](Cc1ccc(Br)cc1F)C1CCCC1 ZINC000042428316 183269461 /nfs/dbraw/zinc/26/94/61/183269461.db2.gz LXMDIYKTNPWZGV-UHFFFAOYSA-N 2 2 315.230 3.292 10 0 DGAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042615224 183291192 /nfs/dbraw/zinc/29/11/92/183291192.db2.gz CQZXEUZADYURKC-PWSUYJOCSA-N 2 2 302.871 3.148 10 0 DGAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042615224 183291193 /nfs/dbraw/zinc/29/11/93/183291193.db2.gz CQZXEUZADYURKC-PWSUYJOCSA-N 2 2 302.871 3.148 10 0 DGAELP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284750050 218161320 /nfs/dbraw/zinc/16/13/20/218161320.db2.gz YVCDSXMABQPQAR-NVXWUHKLSA-N 2 2 309.413 3.097 10 0 DGAELP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284750050 218161322 /nfs/dbraw/zinc/16/13/22/218161322.db2.gz YVCDSXMABQPQAR-NVXWUHKLSA-N 2 2 309.413 3.097 10 0 DGAELP CCCCc1noc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000105897348 194161945 /nfs/dbraw/zinc/16/19/45/194161945.db2.gz UPXLGOQZKNUJIR-CQSZACIVSA-N 2 2 317.437 3.008 10 0 DGAELP CCCCc1noc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1 ZINC000105897348 194161947 /nfs/dbraw/zinc/16/19/47/194161947.db2.gz UPXLGOQZKNUJIR-CQSZACIVSA-N 2 2 317.437 3.008 10 0 DGAELP Fc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1Br ZINC000061689797 184183030 /nfs/dbraw/zinc/18/30/30/184183030.db2.gz HIWNJGSTONEFHO-UHFFFAOYSA-N 2 2 324.197 3.445 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000249192198 285062427 /nfs/dbraw/zinc/06/24/27/285062427.db2.gz AMRLKGZXGSMJGW-NXHRZFHOSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000249192198 285062431 /nfs/dbraw/zinc/06/24/31/285062431.db2.gz AMRLKGZXGSMJGW-NXHRZFHOSA-N 2 2 302.462 3.054 10 0 DGAELP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000343160867 254108589 /nfs/dbraw/zinc/10/85/89/254108589.db2.gz ZMYFGOVJPMCXNJ-UHFFFAOYSA-N 2 2 317.396 3.098 10 0 DGAELP Cc1c[nH+]ccc1NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000121930896 195376854 /nfs/dbraw/zinc/37/68/54/195376854.db2.gz UYIHJDQWQGASKR-UHFFFAOYSA-N 2 2 324.428 3.308 10 0 DGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000358241527 286008352 /nfs/dbraw/zinc/00/83/52/286008352.db2.gz RTTSAOWEXRMYLG-QGZVFWFLSA-N 2 2 310.445 3.175 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000358241527 286008353 /nfs/dbraw/zinc/00/83/53/286008353.db2.gz RTTSAOWEXRMYLG-QGZVFWFLSA-N 2 2 310.445 3.175 10 0 DGAELP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)no1 ZINC000634986991 401395816 /nfs/dbraw/zinc/39/58/16/401395816.db2.gz JPTXXPCOIJDLGS-QGZVFWFLSA-N 2 2 311.429 3.067 10 0 DGAELP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)no1 ZINC000634986991 401395817 /nfs/dbraw/zinc/39/58/17/401395817.db2.gz JPTXXPCOIJDLGS-QGZVFWFLSA-N 2 2 311.429 3.067 10 0 DGAELP C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@@H]1C[NH3+] ZINC000634998379 401398033 /nfs/dbraw/zinc/39/80/33/401398033.db2.gz DYXWRSZALQJLQE-YUMQZZPRSA-N 2 2 323.687 3.191 10 0 DGAELP C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@@H]1C[NH3+] ZINC000634998379 401398037 /nfs/dbraw/zinc/39/80/37/401398037.db2.gz DYXWRSZALQJLQE-YUMQZZPRSA-N 2 2 323.687 3.191 10 0 DGAELP C[C@H]([NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019567 401405478 /nfs/dbraw/zinc/40/54/78/401405478.db2.gz IACUKVVVLVAFIN-SXLOBPIMSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019567 401405481 /nfs/dbraw/zinc/40/54/81/401405481.db2.gz IACUKVVVLVAFIN-SXLOBPIMSA-N 3 2 315.505 3.019 10 0 DGAELP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000628264435 401563495 /nfs/dbraw/zinc/56/34/95/401563495.db2.gz NTCVSZGZZRAVMM-GOSISDBHSA-N 2 2 313.445 3.373 10 0 DGAELP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000628264435 401563497 /nfs/dbraw/zinc/56/34/97/401563497.db2.gz NTCVSZGZZRAVMM-GOSISDBHSA-N 2 2 313.445 3.373 10 0 DGAELP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000628286862 401568213 /nfs/dbraw/zinc/56/82/13/401568213.db2.gz CPIUPCDJKXUUIO-SFHVURJKSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000628286862 401568214 /nfs/dbraw/zinc/56/82/14/401568214.db2.gz CPIUPCDJKXUUIO-SFHVURJKSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000628225758 401553882 /nfs/dbraw/zinc/55/38/82/401553882.db2.gz MNWRWEYJYBVQSA-KBXCAEBGSA-N 2 2 313.445 3.434 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000628225758 401553884 /nfs/dbraw/zinc/55/38/84/401553884.db2.gz MNWRWEYJYBVQSA-KBXCAEBGSA-N 2 2 313.445 3.434 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056065 165280419 /nfs/dbraw/zinc/28/04/19/165280419.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 3 2 312.461 3.095 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056065 165280422 /nfs/dbraw/zinc/28/04/22/165280422.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 3 2 312.461 3.095 10 0 DGAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192053128 165281619 /nfs/dbraw/zinc/28/16/19/165281619.db2.gz QWQIANUMFWXWNY-LJQANCHMSA-N 2 2 312.461 3.097 10 0 DGAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192053128 165281624 /nfs/dbraw/zinc/28/16/24/165281624.db2.gz QWQIANUMFWXWNY-LJQANCHMSA-N 2 2 312.461 3.097 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000192756567 165306025 /nfs/dbraw/zinc/30/60/25/165306025.db2.gz KYATWUGCVSIJLH-NEWSRXKRSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000192756567 165306028 /nfs/dbraw/zinc/30/60/28/165306028.db2.gz KYATWUGCVSIJLH-NEWSRXKRSA-N 2 2 302.462 3.056 10 0 DGAELP c1ccc(C[N@H+]2CC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000192953547 165312059 /nfs/dbraw/zinc/31/20/59/165312059.db2.gz HWNPOCPVMZOFAK-INIZCTEOSA-N 2 2 308.429 3.288 10 0 DGAELP c1ccc(C[N@@H+]2CC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000192953547 165312062 /nfs/dbraw/zinc/31/20/62/165312062.db2.gz HWNPOCPVMZOFAK-INIZCTEOSA-N 2 2 308.429 3.288 10 0 DGAELP O=C(CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000182329079 432179296 /nfs/dbraw/zinc/17/92/96/432179296.db2.gz ZNBHEGMAKCINBS-MRXNPFEDSA-N 2 2 309.413 3.088 10 0 DGAELP O=C(CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000182329079 432179299 /nfs/dbraw/zinc/17/92/99/432179299.db2.gz ZNBHEGMAKCINBS-MRXNPFEDSA-N 2 2 309.413 3.088 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000246861359 432173921 /nfs/dbraw/zinc/17/39/21/432173921.db2.gz CAMAEQXVWAHNTH-YTQUADARSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000246861359 432173928 /nfs/dbraw/zinc/17/39/28/432173928.db2.gz CAMAEQXVWAHNTH-YTQUADARSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000247052863 432195787 /nfs/dbraw/zinc/19/57/87/432195787.db2.gz NIKHCQNVTIJGKT-CRAIPNDOSA-N 2 2 315.486 3.186 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000247052863 432195790 /nfs/dbraw/zinc/19/57/90/432195790.db2.gz NIKHCQNVTIJGKT-CRAIPNDOSA-N 2 2 315.486 3.186 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000247218103 432213101 /nfs/dbraw/zinc/21/31/01/432213101.db2.gz YHMBHGQZQJYXQI-IAGOWNOFSA-N 2 2 319.836 3.043 10 0 DGAELP CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000247131496 432206430 /nfs/dbraw/zinc/20/64/30/432206430.db2.gz SJPZJHMNGXJOMX-ZFWWWQNUSA-N 2 2 317.437 3.143 10 0 DGAELP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000247131496 432206434 /nfs/dbraw/zinc/20/64/34/432206434.db2.gz SJPZJHMNGXJOMX-ZFWWWQNUSA-N 2 2 317.437 3.143 10 0 DGAELP CCc1noc(C)c1C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744746 229383973 /nfs/dbraw/zinc/38/39/73/229383973.db2.gz PPTKHLCNEJXBFL-AWEZNQCLSA-N 2 2 314.433 3.068 10 0 DGAELP CCc1noc(C)c1C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744746 229383977 /nfs/dbraw/zinc/38/39/77/229383977.db2.gz PPTKHLCNEJXBFL-AWEZNQCLSA-N 2 2 314.433 3.068 10 0 DGAELP Brc1c[nH+]ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000352830709 265185829 /nfs/dbraw/zinc/18/58/29/265185829.db2.gz WOXJDDKRYAAVRT-ZDUSSCGKSA-N 2 2 324.266 3.299 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503444 266095970 /nfs/dbraw/zinc/09/59/70/266095970.db2.gz AYPYUKQOBFYXNY-ZBFHGGJFSA-N 2 2 310.445 3.088 10 0 DGAELP c1ccc2c(c1)nc(C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503444 266095974 /nfs/dbraw/zinc/09/59/74/266095974.db2.gz AYPYUKQOBFYXNY-ZBFHGGJFSA-N 2 2 310.445 3.088 10 0 DGAELP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151309486 432236288 /nfs/dbraw/zinc/23/62/88/432236288.db2.gz DPACBYZWCPDLKB-HZPDHXFCSA-N 2 2 310.507 3.272 10 0 DGAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334362 432238305 /nfs/dbraw/zinc/23/83/05/432238305.db2.gz VDHJQDNQDPZONB-STQMWFEESA-N 2 2 316.898 3.289 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(F)ccc1F ZINC000151485139 432250045 /nfs/dbraw/zinc/25/00/45/432250045.db2.gz LPQSIQPCLRIIIB-LBPRGKRZSA-N 2 2 314.339 3.396 10 0 DGAELP c1n[nH]c2c1[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000367618150 271053316 /nfs/dbraw/zinc/05/33/16/271053316.db2.gz RTKPJKXNWNJMDB-SFHVURJKSA-N 2 2 310.445 3.173 10 0 DGAELP C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151508278 432251647 /nfs/dbraw/zinc/25/16/47/432251647.db2.gz MXLXTMKQHKYRRN-ZDUSSCGKSA-N 2 2 304.463 3.277 10 0 DGAELP COc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000151533023 432253478 /nfs/dbraw/zinc/25/34/78/432253478.db2.gz SUIMOSLQVFNMAG-AWEZNQCLSA-N 2 2 308.385 3.127 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CC2 ZINC000151525031 432254549 /nfs/dbraw/zinc/25/45/49/432254549.db2.gz ACOYUQIWMQWZQJ-GOSISDBHSA-N 2 2 304.397 3.353 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000183096826 432257518 /nfs/dbraw/zinc/25/75/18/432257518.db2.gz FQHRYZBVVUEVMQ-KGLIPLIRSA-N 2 2 309.417 3.326 10 0 DGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423571519 275368250 /nfs/dbraw/zinc/36/82/50/275368250.db2.gz XQNGHLANPLEKGY-ONGXEEELSA-N 2 2 315.280 3.230 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000111229465 431201112 /nfs/dbraw/zinc/20/11/12/431201112.db2.gz SVXYWSQYJYJNTC-KRWDZBQOSA-N 2 2 311.429 3.218 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000111229465 431201118 /nfs/dbraw/zinc/20/11/18/431201118.db2.gz SVXYWSQYJYJNTC-KRWDZBQOSA-N 2 2 311.429 3.218 10 0 DGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000119517384 431702025 /nfs/dbraw/zinc/70/20/25/431702025.db2.gz OPOLEELTXFPUAZ-KRWDZBQOSA-N 2 2 320.396 3.116 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123099785 431855410 /nfs/dbraw/zinc/85/54/10/431855410.db2.gz ZFXYTRUVXBFDNC-TZMCWYRMSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@H+]1C ZINC000123099785 431855413 /nfs/dbraw/zinc/85/54/13/431855413.db2.gz ZFXYTRUVXBFDNC-TZMCWYRMSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123099785 431855415 /nfs/dbraw/zinc/85/54/15/431855415.db2.gz ZFXYTRUVXBFDNC-TZMCWYRMSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123099785 431855418 /nfs/dbraw/zinc/85/54/18/431855418.db2.gz ZFXYTRUVXBFDNC-TZMCWYRMSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452398 431865626 /nfs/dbraw/zinc/86/56/26/431865626.db2.gz FGSYYKLRFRTYPK-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@H+]1C ZINC000123452398 431865629 /nfs/dbraw/zinc/86/56/29/431865629.db2.gz FGSYYKLRFRTYPK-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452398 431865630 /nfs/dbraw/zinc/86/56/30/431865630.db2.gz FGSYYKLRFRTYPK-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452398 431865631 /nfs/dbraw/zinc/86/56/31/431865631.db2.gz FGSYYKLRFRTYPK-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123886303 431877317 /nfs/dbraw/zinc/87/73/17/431877317.db2.gz HNGHLCMHPRSBHP-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@H+]1C ZINC000123886303 431877318 /nfs/dbraw/zinc/87/73/18/431877318.db2.gz HNGHLCMHPRSBHP-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123886303 431877320 /nfs/dbraw/zinc/87/73/20/431877320.db2.gz HNGHLCMHPRSBHP-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123886303 431877321 /nfs/dbraw/zinc/87/73/21/431877321.db2.gz HNGHLCMHPRSBHP-TZMCWYRMSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995306 431880624 /nfs/dbraw/zinc/88/06/24/431880624.db2.gz YCAMOOADMDRDDW-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@H+]1C ZINC000123995306 431880626 /nfs/dbraw/zinc/88/06/26/431880626.db2.gz YCAMOOADMDRDDW-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995306 431880628 /nfs/dbraw/zinc/88/06/28/431880628.db2.gz YCAMOOADMDRDDW-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995306 431880629 /nfs/dbraw/zinc/88/06/29/431880629.db2.gz YCAMOOADMDRDDW-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2cc(F)ccc2o1 ZINC000152009213 432295723 /nfs/dbraw/zinc/29/57/23/432295723.db2.gz WMDQZHDSIBVINN-AWEZNQCLSA-N 2 2 314.364 3.136 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2cc(F)ccc2o1 ZINC000152009213 432295727 /nfs/dbraw/zinc/29/57/27/432295727.db2.gz WMDQZHDSIBVINN-AWEZNQCLSA-N 2 2 314.364 3.136 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Br)o1 ZINC000191426095 432262841 /nfs/dbraw/zinc/26/28/41/432262841.db2.gz HDIKMISLLIHLIQ-GFCCVEGCSA-N 2 2 324.222 3.212 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Br)o1 ZINC000191426095 432262844 /nfs/dbraw/zinc/26/28/44/432262844.db2.gz HDIKMISLLIHLIQ-GFCCVEGCSA-N 2 2 324.222 3.212 10 0 DGAELP COc1ccccc1CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183171191 432264332 /nfs/dbraw/zinc/26/43/32/432264332.db2.gz HHNSILYEQJQORX-UHFFFAOYSA-N 2 2 313.445 3.237 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154652863 432512285 /nfs/dbraw/zinc/51/22/85/432512285.db2.gz PEQYEGQJNYUEPK-SWLSCSKDSA-N 2 2 314.351 3.256 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000154652863 432512290 /nfs/dbraw/zinc/51/22/90/432512290.db2.gz PEQYEGQJNYUEPK-SWLSCSKDSA-N 2 2 314.351 3.256 10 0 DGAELP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000262460473 432486257 /nfs/dbraw/zinc/48/62/57/432486257.db2.gz IMZKPWZNNDPLMO-MRXNPFEDSA-N 2 2 303.381 3.055 10 0 DGAELP C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000262460473 432486261 /nfs/dbraw/zinc/48/62/61/432486261.db2.gz IMZKPWZNNDPLMO-MRXNPFEDSA-N 2 2 303.381 3.055 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccccc1 ZINC000262029378 432470732 /nfs/dbraw/zinc/47/07/32/432470732.db2.gz NWMZRRLDSKKDSL-UHFFFAOYSA-N 2 2 320.440 3.080 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1ccccc1 ZINC000262029378 432470737 /nfs/dbraw/zinc/47/07/37/432470737.db2.gz NWMZRRLDSKKDSL-UHFFFAOYSA-N 2 2 320.440 3.080 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000176361703 432515492 /nfs/dbraw/zinc/51/54/92/432515492.db2.gz HAQCFPXMKWYKMC-CQSZACIVSA-N 2 2 304.463 3.356 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000176361703 432515494 /nfs/dbraw/zinc/51/54/94/432515494.db2.gz HAQCFPXMKWYKMC-CQSZACIVSA-N 2 2 304.463 3.356 10 0 DGAELP Cc1ccc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)o1 ZINC000159044825 432668229 /nfs/dbraw/zinc/66/82/29/432668229.db2.gz XNOHPEKYNOVZDR-LJQANCHMSA-N 2 2 323.396 3.347 10 0 DGAELP Cc1ccc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)o1 ZINC000159044825 432668232 /nfs/dbraw/zinc/66/82/32/432668232.db2.gz XNOHPEKYNOVZDR-LJQANCHMSA-N 2 2 323.396 3.347 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000178305699 432719048 /nfs/dbraw/zinc/71/90/48/432719048.db2.gz SYVRUWOOKSLQSX-HNNXBMFYSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000178305699 432719049 /nfs/dbraw/zinc/71/90/49/432719049.db2.gz SYVRUWOOKSLQSX-HNNXBMFYSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000178322530 432720769 /nfs/dbraw/zinc/72/07/69/432720769.db2.gz VVPWFRBNAUSEDH-GXTWGEPZSA-N 2 2 317.437 3.098 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000178322530 432720772 /nfs/dbraw/zinc/72/07/72/432720772.db2.gz VVPWFRBNAUSEDH-GXTWGEPZSA-N 2 2 317.437 3.098 10 0 DGAELP COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000178754688 432772835 /nfs/dbraw/zinc/77/28/35/432772835.db2.gz KFYKIFMIIOJFBC-AWEZNQCLSA-N 2 2 322.412 3.435 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000178509750 432745833 /nfs/dbraw/zinc/74/58/33/432745833.db2.gz GYHCYACKEKEKCU-APWZRJJASA-N 2 2 301.478 3.462 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000178509750 432745835 /nfs/dbraw/zinc/74/58/35/432745835.db2.gz GYHCYACKEKEKCU-APWZRJJASA-N 2 2 301.478 3.462 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498334 432783642 /nfs/dbraw/zinc/78/36/42/432783642.db2.gz CKYMJWIJTPSYOL-JQWIXIFHSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161498334 432783644 /nfs/dbraw/zinc/78/36/44/432783644.db2.gz CKYMJWIJTPSYOL-JQWIXIFHSA-N 2 2 315.230 3.147 10 0 DGAELP Cc1n[nH]cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738253 432860286 /nfs/dbraw/zinc/86/02/86/432860286.db2.gz LFZOMICZQTUDST-KXBFYZLASA-N 2 2 312.461 3.203 10 0 DGAELP Cc1n[nH]cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738253 432860288 /nfs/dbraw/zinc/86/02/88/432860288.db2.gz LFZOMICZQTUDST-KXBFYZLASA-N 2 2 312.461 3.203 10 0 DGAELP Cc1n[nH]cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738253 432860289 /nfs/dbraw/zinc/86/02/89/432860289.db2.gz LFZOMICZQTUDST-KXBFYZLASA-N 2 2 312.461 3.203 10 0 DGAELP Cc1n[nH]cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245738253 432860290 /nfs/dbraw/zinc/86/02/90/432860290.db2.gz LFZOMICZQTUDST-KXBFYZLASA-N 2 2 312.461 3.203 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163212079 432846183 /nfs/dbraw/zinc/84/61/83/432846183.db2.gz PBKCIADSAMKAPL-GHMZBOCLSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163212079 432846185 /nfs/dbraw/zinc/84/61/85/432846185.db2.gz PBKCIADSAMKAPL-GHMZBOCLSA-N 2 2 303.233 3.041 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000163281041 432847708 /nfs/dbraw/zinc/84/77/08/432847708.db2.gz SFHVSMUOJPQOPT-AEFFLSMTSA-N 2 2 304.478 3.053 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000163281041 432847712 /nfs/dbraw/zinc/84/77/12/432847712.db2.gz SFHVSMUOJPQOPT-AEFFLSMTSA-N 2 2 304.478 3.053 10 0 DGAELP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000279849511 432996227 /nfs/dbraw/zinc/99/62/27/432996227.db2.gz OXHSMRSGHDYYKM-SFHVURJKSA-N 2 2 324.472 3.180 10 0 DGAELP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000279849511 432996230 /nfs/dbraw/zinc/99/62/30/432996230.db2.gz OXHSMRSGHDYYKM-SFHVURJKSA-N 2 2 324.472 3.180 10 0 DGAELP c1cn2c(cccc2C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)[nH+]1 ZINC000375406285 433451969 /nfs/dbraw/zinc/45/19/69/433451969.db2.gz VUJPWQZOKLEVDK-FQEVSTJZSA-N 2 2 319.408 3.356 10 0 DGAELP c1cn2c(cccc2C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)[nH+]1 ZINC000375406285 433451976 /nfs/dbraw/zinc/45/19/76/433451976.db2.gz VUJPWQZOKLEVDK-FQEVSTJZSA-N 2 2 319.408 3.356 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850563 433756809 /nfs/dbraw/zinc/75/68/09/433756809.db2.gz AXMUERYISBEYSC-GDBMZVCRSA-N 2 2 321.428 3.280 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850563 433756815 /nfs/dbraw/zinc/75/68/15/433756815.db2.gz AXMUERYISBEYSC-GDBMZVCRSA-N 2 2 321.428 3.280 10 0 DGAELP c1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc(OC2CCCC2)c1 ZINC000422560199 433920881 /nfs/dbraw/zinc/92/08/81/433920881.db2.gz GEVDZFJOOVTPDH-UHFFFAOYSA-N 2 2 300.446 3.336 10 0 DGAELP CC[N@H+](C)[C@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302838065 433880480 /nfs/dbraw/zinc/88/04/80/433880480.db2.gz YDTXACUUFRJNHK-AWEZNQCLSA-N 2 2 304.482 3.428 10 0 DGAELP CC[N@@H+](C)[C@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C1 ZINC000302838065 433880491 /nfs/dbraw/zinc/88/04/91/433880491.db2.gz YDTXACUUFRJNHK-AWEZNQCLSA-N 2 2 304.482 3.428 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414964888 433945210 /nfs/dbraw/zinc/94/52/10/433945210.db2.gz YVQCEMKCUMQCEI-HXUWFJFHSA-N 2 2 310.441 3.322 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000340210899 433984921 /nfs/dbraw/zinc/98/49/21/433984921.db2.gz XFMMQNYKPWAYOR-ZWKOTPCHSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000340210899 433984932 /nfs/dbraw/zinc/98/49/32/433984932.db2.gz XFMMQNYKPWAYOR-ZWKOTPCHSA-N 2 2 302.462 3.198 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)c1 ZINC000313260691 434128228 /nfs/dbraw/zinc/12/82/28/434128228.db2.gz HRYGEFZJXFSLQS-OAHLLOKOSA-N 2 2 320.234 3.002 10 0 DGAELP c1cn(-c2csc(C[NH+]3CCN(c4ccccc4)CC3)c2)c[nH+]1 ZINC000346148148 434152420 /nfs/dbraw/zinc/15/24/20/434152420.db2.gz WAADHWHRHVHOLG-UHFFFAOYSA-N 2 2 324.453 3.256 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CC[C@@H](C4CCOCC4)C3)c2)c[nH+]1 ZINC000346206884 434202048 /nfs/dbraw/zinc/20/20/48/434202048.db2.gz RCMAVTGNFIKTFJ-OAHLLOKOSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CC[C@@H](C4CCOCC4)C3)c2)c[nH+]1 ZINC000346206884 434202056 /nfs/dbraw/zinc/20/20/56/434202056.db2.gz RCMAVTGNFIKTFJ-OAHLLOKOSA-N 2 2 317.458 3.182 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866677 434166672 /nfs/dbraw/zinc/16/66/72/434166672.db2.gz QMOSNAQCEAYTKP-IEZWGBDMSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866677 434166681 /nfs/dbraw/zinc/16/66/81/434166681.db2.gz QMOSNAQCEAYTKP-IEZWGBDMSA-N 2 2 324.472 3.346 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCCCO1 ZINC000382112812 434276224 /nfs/dbraw/zinc/27/62/24/434276224.db2.gz RMSOFIIQXPEROD-DKKFBQAASA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCCCO1 ZINC000382112812 434276233 /nfs/dbraw/zinc/27/62/33/434276233.db2.gz RMSOFIIQXPEROD-DKKFBQAASA-N 2 2 302.462 3.197 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000379651954 434259229 /nfs/dbraw/zinc/25/92/29/434259229.db2.gz VMYSWFLREZQJLO-MSOLQXFVSA-N 2 2 304.503 3.384 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000379651954 434259237 /nfs/dbraw/zinc/25/92/37/434259237.db2.gz VMYSWFLREZQJLO-MSOLQXFVSA-N 2 2 304.503 3.384 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000379651956 434259337 /nfs/dbraw/zinc/25/93/37/434259337.db2.gz VMYSWFLREZQJLO-ROUUACIJSA-N 2 2 304.503 3.384 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000379651956 434259344 /nfs/dbraw/zinc/25/93/44/434259344.db2.gz VMYSWFLREZQJLO-ROUUACIJSA-N 2 2 304.503 3.384 10 0 DGAELP C[N@H+](Cc1ccc(Br)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000383296046 434281020 /nfs/dbraw/zinc/28/10/20/434281020.db2.gz NYSJRTYCYBYDJM-GFCCVEGCSA-N 2 2 315.280 3.037 10 0 DGAELP C[N@@H+](Cc1ccc(Br)s1)[C@@H]1C[NH+]2CCC1CC2 ZINC000383296046 434281026 /nfs/dbraw/zinc/28/10/26/434281026.db2.gz NYSJRTYCYBYDJM-GFCCVEGCSA-N 2 2 315.280 3.037 10 0 DGAELP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232915 434301082 /nfs/dbraw/zinc/30/10/82/434301082.db2.gz JBBITOPTBKEPKY-HUUCEWRRSA-N 2 2 309.251 3.242 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000358158963 434358884 /nfs/dbraw/zinc/35/88/84/434358884.db2.gz IOMFCADKWMIJOY-UHFFFAOYSA-N 2 2 307.441 3.490 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000358158963 434358892 /nfs/dbraw/zinc/35/88/92/434358892.db2.gz IOMFCADKWMIJOY-UHFFFAOYSA-N 2 2 307.441 3.490 10 0 DGAELP C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)C[C@@]1(C)C[NH3+] ZINC000394695888 434404815 /nfs/dbraw/zinc/40/48/15/434404815.db2.gz FEOHSUUPGHOBNV-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)C[C@@]1(C)C[NH3+] ZINC000394695888 434404828 /nfs/dbraw/zinc/40/48/28/434404828.db2.gz FEOHSUUPGHOBNV-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP COC[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000397972188 434451272 /nfs/dbraw/zinc/45/12/72/434451272.db2.gz BVZHTTGDEGJTAA-RBUKOAKNSA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000397972188 434451281 /nfs/dbraw/zinc/45/12/81/434451281.db2.gz BVZHTTGDEGJTAA-RBUKOAKNSA-N 2 2 304.478 3.302 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000404965368 434524981 /nfs/dbraw/zinc/52/49/81/434524981.db2.gz IFASQVVNMYQASQ-IBGZPJMESA-N 2 2 309.457 3.187 10 0 DGAELP Cc1cccnc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000404965368 434524988 /nfs/dbraw/zinc/52/49/88/434524988.db2.gz IFASQVVNMYQASQ-IBGZPJMESA-N 2 2 309.457 3.187 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)[nH]1 ZINC000526115844 295058990 /nfs/dbraw/zinc/05/89/90/295058990.db2.gz LGNSHXWWUXXYMV-UHFFFAOYSA-N 2 2 313.430 3.241 10 0 DGAELP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527949009 295155766 /nfs/dbraw/zinc/15/57/66/295155766.db2.gz NQHPXQICSOPMDF-AVAKVYKDSA-N 2 2 306.494 3.475 10 0 DGAELP C([NH2+]C1CCC2(CCCO2)CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527949009 295155767 /nfs/dbraw/zinc/15/57/67/295155767.db2.gz NQHPXQICSOPMDF-AVAKVYKDSA-N 2 2 306.494 3.475 10 0 DGAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CCCS2 ZINC000187840558 295274743 /nfs/dbraw/zinc/27/47/43/295274743.db2.gz QZWCTSNCLBILQS-XJKSGUPXSA-N 2 2 306.475 3.306 10 0 DGAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CCCS2 ZINC000187840558 295274745 /nfs/dbraw/zinc/27/47/45/295274745.db2.gz QZWCTSNCLBILQS-XJKSGUPXSA-N 2 2 306.475 3.306 10 0 DGAELP c1cn(-c2csc(C[NH+]3CCC([C@@H]4CCCO4)CC3)c2)c[nH+]1 ZINC000439769088 434645457 /nfs/dbraw/zinc/64/54/57/434645457.db2.gz SLRILLUZFGEPMD-KRWDZBQOSA-N 2 2 317.458 3.325 10 0 DGAELP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659459 434650286 /nfs/dbraw/zinc/65/02/86/434650286.db2.gz KCBOPTJBKMKWIM-LCYFTJDESA-N 2 2 321.371 3.257 10 0 DGAELP c1[nH+]cn2cc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000459661088 434651364 /nfs/dbraw/zinc/65/13/64/434651364.db2.gz PSGVPCIGIULUPT-IBGZPJMESA-N 3 2 320.440 3.089 10 0 DGAELP c1[nH+]cn2cc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000459661088 434651366 /nfs/dbraw/zinc/65/13/66/434651366.db2.gz PSGVPCIGIULUPT-IBGZPJMESA-N 3 2 320.440 3.089 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)C2 ZINC000554981608 434956279 /nfs/dbraw/zinc/95/62/79/434956279.db2.gz DTTSTFPTPKPRTM-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CC2 ZINC000554981608 434956283 /nfs/dbraw/zinc/95/62/83/434956283.db2.gz DTTSTFPTPKPRTM-ZDUSSCGKSA-N 2 2 310.426 3.180 10 0 DGAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729020 435141168 /nfs/dbraw/zinc/14/11/68/435141168.db2.gz PWMDUYPNNJKSRU-VQTJNVASSA-N 3 2 321.553 3.449 10 0 DGAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729020 435141172 /nfs/dbraw/zinc/14/11/72/435141172.db2.gz PWMDUYPNNJKSRU-VQTJNVASSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729020 435141176 /nfs/dbraw/zinc/14/11/76/435141176.db2.gz PWMDUYPNNJKSRU-VQTJNVASSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729020 435141180 /nfs/dbraw/zinc/14/11/80/435141180.db2.gz PWMDUYPNNJKSRU-VQTJNVASSA-N 3 2 321.553 3.449 10 0 DGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000532845338 435194716 /nfs/dbraw/zinc/19/47/16/435194716.db2.gz UVDJHYYLTXCTBO-LMMKCTJWSA-N 2 2 302.462 3.086 10 0 DGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000532845338 435194719 /nfs/dbraw/zinc/19/47/19/435194719.db2.gz UVDJHYYLTXCTBO-LMMKCTJWSA-N 2 2 302.462 3.086 10 0 DGAELP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000514834552 435441380 /nfs/dbraw/zinc/44/13/80/435441380.db2.gz PBWNPRAHJVSSED-PXNSSMCTSA-N 2 2 316.489 3.303 10 0 DGAELP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000514834552 435441384 /nfs/dbraw/zinc/44/13/84/435441384.db2.gz PBWNPRAHJVSSED-PXNSSMCTSA-N 2 2 316.489 3.303 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000546563626 314311207 /nfs/dbraw/zinc/31/12/07/314311207.db2.gz OJISZESAULBHTB-UHFFFAOYSA-N 2 2 314.351 3.327 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000546563626 314311211 /nfs/dbraw/zinc/31/12/11/314311211.db2.gz OJISZESAULBHTB-UHFFFAOYSA-N 2 2 314.351 3.327 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180424591 323229324 /nfs/dbraw/zinc/22/93/24/323229324.db2.gz HDLXIQXGOPXOAA-YJBOKZPZSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000180424591 323229328 /nfs/dbraw/zinc/22/93/28/323229328.db2.gz HDLXIQXGOPXOAA-YJBOKZPZSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424591 323229332 /nfs/dbraw/zinc/22/93/32/323229332.db2.gz HDLXIQXGOPXOAA-YJBOKZPZSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424591 323229334 /nfs/dbraw/zinc/22/93/34/323229334.db2.gz HDLXIQXGOPXOAA-YJBOKZPZSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414967 324350595 /nfs/dbraw/zinc/35/05/95/324350595.db2.gz KTRAKWHWOPWKAP-LPHOPBHVSA-N 2 2 302.462 3.228 10 0 DGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414967 324350600 /nfs/dbraw/zinc/35/06/00/324350600.db2.gz KTRAKWHWOPWKAP-LPHOPBHVSA-N 2 2 302.462 3.228 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163415263 523830548 /nfs/dbraw/zinc/83/05/48/523830548.db2.gz LGPFGDYMSYNWOA-UKRRQHHQSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000163415263 523830553 /nfs/dbraw/zinc/83/05/53/523830553.db2.gz LGPFGDYMSYNWOA-UKRRQHHQSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000163382242 523833731 /nfs/dbraw/zinc/83/37/31/523833731.db2.gz OHMUENHMWYYTJB-OCCSQVGLSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000163382242 523833736 /nfs/dbraw/zinc/83/37/36/523833736.db2.gz OHMUENHMWYYTJB-OCCSQVGLSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000163318022 523834031 /nfs/dbraw/zinc/83/40/31/523834031.db2.gz AKFBHLHABQHOOK-OCCSQVGLSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000163318022 523834035 /nfs/dbraw/zinc/83/40/35/523834035.db2.gz AKFBHLHABQHOOK-OCCSQVGLSA-N 2 2 314.832 3.241 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000328625189 534813434 /nfs/dbraw/zinc/81/34/34/534813434.db2.gz CXSSUXRKVWIVML-KDOFPFPSSA-N 2 2 311.385 3.176 10 0 DGAELP Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000156659731 525299071 /nfs/dbraw/zinc/29/90/71/525299071.db2.gz JFXJLGCBNPIBBS-CQSZACIVSA-N 2 2 313.449 3.235 10 0 DGAELP C(c1nc(C2CCCC2)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000132362796 527495775 /nfs/dbraw/zinc/49/57/75/527495775.db2.gz WGUZOZYOXOYCBG-UHFFFAOYSA-N 2 2 318.465 3.035 10 0 DGAELP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000188420246 546204931 /nfs/dbraw/zinc/20/49/31/546204931.db2.gz WBTPDCJUUUMEPP-AWEZNQCLSA-N 2 2 304.463 3.203 10 0 DGAELP CC(C)Cc1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000188420246 546204934 /nfs/dbraw/zinc/20/49/34/546204934.db2.gz WBTPDCJUUUMEPP-AWEZNQCLSA-N 2 2 304.463 3.203 10 0 DGAELP c1ccc(N2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)[nH+]c1 ZINC000326935984 546480315 /nfs/dbraw/zinc/48/03/15/546480315.db2.gz YUFDZHQKWGOUQC-UHFFFAOYSA-N 2 2 318.424 3.388 10 0 DGAELP Brc1ccoc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000735320633 574697682 /nfs/dbraw/zinc/69/76/82/574697682.db2.gz CFMRZXLTYCINAR-UHFFFAOYSA-N 2 2 320.190 3.022 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000262126680 655785449 /nfs/dbraw/zinc/78/54/49/655785449.db2.gz NFPHCWXWUBMGCG-JTQLQIEISA-N 2 2 307.385 3.044 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)s1 ZINC000262126680 655785450 /nfs/dbraw/zinc/78/54/50/655785450.db2.gz NFPHCWXWUBMGCG-JTQLQIEISA-N 2 2 307.385 3.044 10 0 DGAELP Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000716648901 661226110 /nfs/dbraw/zinc/22/61/10/661226110.db2.gz FTBUNNVGNPFHLH-KSZLIROESA-N 2 2 311.429 3.126 10 0 DGAELP Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)on1 ZINC000716648901 661226112 /nfs/dbraw/zinc/22/61/12/661226112.db2.gz FTBUNNVGNPFHLH-KSZLIROESA-N 2 2 311.429 3.126 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363732 661284911 /nfs/dbraw/zinc/28/49/11/661284911.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 2 2 311.813 3.163 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000187363732 661284914 /nfs/dbraw/zinc/28/49/14/661284914.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 2 2 311.813 3.163 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363732 661284917 /nfs/dbraw/zinc/28/49/17/661284917.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 2 2 311.813 3.163 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363732 661284920 /nfs/dbraw/zinc/28/49/20/661284920.db2.gz NMWMEXQCMLHMHH-YPMHNXCESA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720876447 658155119 /nfs/dbraw/zinc/15/51/19/658155119.db2.gz ISMMIPVGFLFIBI-JFGNBEQYSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720876447 658155124 /nfs/dbraw/zinc/15/51/24/658155124.db2.gz ISMMIPVGFLFIBI-JFGNBEQYSA-N 2 2 306.759 3.470 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195252460 662181811 /nfs/dbraw/zinc/18/18/11/662181811.db2.gz UHVNOYCKAWVBBB-CQSZACIVSA-N 2 2 311.571 3.083 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195252460 662181812 /nfs/dbraw/zinc/18/18/12/662181812.db2.gz UHVNOYCKAWVBBB-CQSZACIVSA-N 2 2 311.571 3.083 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195252460 662181813 /nfs/dbraw/zinc/18/18/13/662181813.db2.gz UHVNOYCKAWVBBB-CQSZACIVSA-N 2 2 311.571 3.083 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000195252460 662181815 /nfs/dbraw/zinc/18/18/15/662181815.db2.gz UHVNOYCKAWVBBB-CQSZACIVSA-N 2 2 311.571 3.083 10 0 DGAELP c1ccc(NCCCC[NH2+]Cc2nc3c(s2)CCC3)[nH+]c1 ZINC000093066987 1198649868 /nfs/dbraw/zinc/64/98/68/1198649868.db2.gz NUKKGPFPIWZDGL-UHFFFAOYSA-N 2 2 302.447 3.009 10 0 DGAELP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000236611807 1202614655 /nfs/dbraw/zinc/61/46/55/1202614655.db2.gz CEEDXFJAASBBLX-UHFFFAOYSA-N 2 2 315.280 3.251 10 0 DGAELP Fc1cc(F)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000092812908 185343679 /nfs/dbraw/zinc/34/36/79/185343679.db2.gz KBIZRGNPBJDFDV-GFCCVEGCSA-N 2 2 321.346 3.433 10 0 DGAELP Fc1cc(F)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000092812908 185343680 /nfs/dbraw/zinc/34/36/80/185343680.db2.gz KBIZRGNPBJDFDV-GFCCVEGCSA-N 2 2 321.346 3.433 10 0 DGAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000172771074 198146742 /nfs/dbraw/zinc/14/67/42/198146742.db2.gz WTTJQBNXTZJSBV-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(C)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000172771074 198146743 /nfs/dbraw/zinc/14/67/43/198146743.db2.gz WTTJQBNXTZJSBV-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000132518036 432051139 /nfs/dbraw/zinc/05/11/39/432051139.db2.gz MJBKCTLKIRHEOJ-GDBMZVCRSA-N 2 2 302.809 3.296 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000132518036 432051141 /nfs/dbraw/zinc/05/11/41/432051141.db2.gz MJBKCTLKIRHEOJ-GDBMZVCRSA-N 2 2 302.809 3.296 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000166286125 432059834 /nfs/dbraw/zinc/05/98/34/432059834.db2.gz FCNSGVYVXAWLLI-RLFYNMQTSA-N 2 2 300.446 3.424 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000166286125 432059835 /nfs/dbraw/zinc/05/98/35/432059835.db2.gz FCNSGVYVXAWLLI-RLFYNMQTSA-N 2 2 300.446 3.424 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000166678132 432061765 /nfs/dbraw/zinc/06/17/65/432061765.db2.gz CQBXYEHBPRGGTP-KBPBESRZSA-N 2 2 307.401 3.383 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1N(C)C ZINC000179400605 199029610 /nfs/dbraw/zinc/02/96/10/199029610.db2.gz RRZRYITXPNETRW-OAHLLOKOSA-N 2 2 321.428 3.184 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000180127316 199120365 /nfs/dbraw/zinc/12/03/65/199120365.db2.gz QEYNYOYEUBYVHV-SFHVURJKSA-N 2 2 309.413 3.132 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000180127316 199120367 /nfs/dbraw/zinc/12/03/67/199120367.db2.gz QEYNYOYEUBYVHV-SFHVURJKSA-N 2 2 309.413 3.132 10 0 DGAELP CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180665618 199193357 /nfs/dbraw/zinc/19/33/57/199193357.db2.gz OFTDHODZKBQDLZ-CYBMUJFWSA-N 2 2 311.389 3.230 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000275470366 212354427 /nfs/dbraw/zinc/35/44/27/212354427.db2.gz HQFKMVYRBSYRHS-FFFWVMEBSA-N 2 2 315.392 3.082 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449244755 240087395 /nfs/dbraw/zinc/08/73/95/240087395.db2.gz VMIFFLSJLJZEEM-UHFFFAOYSA-N 2 2 306.494 3.498 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449244755 240087400 /nfs/dbraw/zinc/08/74/00/240087400.db2.gz VMIFFLSJLJZEEM-UHFFFAOYSA-N 2 2 306.494 3.498 10 0 DGAELP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246193725 432105779 /nfs/dbraw/zinc/10/57/79/432105779.db2.gz TTXYUVJGJFZGPN-HKUYNNGSSA-N 2 2 312.457 3.208 10 0 DGAELP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246193725 432105782 /nfs/dbraw/zinc/10/57/82/432105782.db2.gz TTXYUVJGJFZGPN-HKUYNNGSSA-N 2 2 312.457 3.208 10 0 DGAELP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246193725 432105785 /nfs/dbraw/zinc/10/57/85/432105785.db2.gz TTXYUVJGJFZGPN-HKUYNNGSSA-N 2 2 312.457 3.208 10 0 DGAELP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246193725 432105787 /nfs/dbraw/zinc/10/57/87/432105787.db2.gz TTXYUVJGJFZGPN-HKUYNNGSSA-N 2 2 312.457 3.208 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246197996 432105985 /nfs/dbraw/zinc/10/59/85/432105985.db2.gz VHOABNZQJBHUEZ-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246197996 432105989 /nfs/dbraw/zinc/10/59/89/432105989.db2.gz VHOABNZQJBHUEZ-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246197996 432105992 /nfs/dbraw/zinc/10/59/92/432105992.db2.gz VHOABNZQJBHUEZ-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246197996 432105994 /nfs/dbraw/zinc/10/59/94/432105994.db2.gz VHOABNZQJBHUEZ-CABCVRRESA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246198003 432106277 /nfs/dbraw/zinc/10/62/77/432106277.db2.gz VHOABNZQJBHUEZ-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246198003 432106281 /nfs/dbraw/zinc/10/62/81/432106281.db2.gz VHOABNZQJBHUEZ-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246198003 432106282 /nfs/dbraw/zinc/10/62/82/432106282.db2.gz VHOABNZQJBHUEZ-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246198003 432106286 /nfs/dbraw/zinc/10/62/86/432106286.db2.gz VHOABNZQJBHUEZ-GJZGRUSLSA-N 2 2 314.433 3.071 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000091669344 193088162 /nfs/dbraw/zinc/08/81/62/193088162.db2.gz DFAWDICZDCFPOV-UHFFFAOYSA-N 2 2 313.420 3.414 10 0 DGAELP Cc1nocc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000293101451 223396365 /nfs/dbraw/zinc/39/63/65/223396365.db2.gz XTMFNNLIDHFVML-GOSISDBHSA-N 2 2 313.445 3.375 10 0 DGAELP Cc1nocc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000293101451 223396367 /nfs/dbraw/zinc/39/63/67/223396367.db2.gz XTMFNNLIDHFVML-GOSISDBHSA-N 2 2 313.445 3.375 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000093644378 193280602 /nfs/dbraw/zinc/28/06/02/193280602.db2.gz UHOACUQWNWMOFW-ZFWWWQNUSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000093644378 193280603 /nfs/dbraw/zinc/28/06/03/193280603.db2.gz UHOACUQWNWMOFW-ZFWWWQNUSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644378 193280605 /nfs/dbraw/zinc/28/06/05/193280605.db2.gz UHOACUQWNWMOFW-ZFWWWQNUSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644378 193280607 /nfs/dbraw/zinc/28/06/07/193280607.db2.gz UHOACUQWNWMOFW-ZFWWWQNUSA-N 2 2 316.424 3.130 10 0 DGAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093693978 193291462 /nfs/dbraw/zinc/29/14/62/193291462.db2.gz CMWIOENRWINRJW-INIZCTEOSA-N 2 2 312.461 3.240 10 0 DGAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093693978 193291464 /nfs/dbraw/zinc/29/14/64/193291464.db2.gz CMWIOENRWINRJW-INIZCTEOSA-N 2 2 312.461 3.240 10 0 DGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121128176 284188954 /nfs/dbraw/zinc/18/89/54/284188954.db2.gz DGCNJAHQSZEAFW-MJGOQNOKSA-N 2 2 302.462 3.090 10 0 DGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121128176 284188962 /nfs/dbraw/zinc/18/89/62/284188962.db2.gz DGCNJAHQSZEAFW-MJGOQNOKSA-N 2 2 302.462 3.090 10 0 DGAELP c1cn2c([nH+]1)C[C@H](Nc1[nH+]cccc1OCc1ccccc1)CC2 ZINC000489889165 245359217 /nfs/dbraw/zinc/35/92/17/245359217.db2.gz QAWXUKAVEGYIPH-MRXNPFEDSA-N 2 2 320.396 3.284 10 0 DGAELP c1cn(-c2ccc(C[NH2+]Cc3noc4c3CCCC4)cc2)c[nH+]1 ZINC000288472893 220165804 /nfs/dbraw/zinc/16/58/04/220165804.db2.gz PAUKCPZIKUVPSN-UHFFFAOYSA-N 2 2 308.385 3.029 10 0 DGAELP C[N@H+]([C@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000022210697 182313397 /nfs/dbraw/zinc/31/33/97/182313397.db2.gz REOCPOGYHNGHJV-LLVKDONJSA-N 2 2 301.228 3.306 10 0 DGAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000022210697 182313400 /nfs/dbraw/zinc/31/34/00/182313400.db2.gz REOCPOGYHNGHJV-LLVKDONJSA-N 2 2 301.228 3.306 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181852867 432147351 /nfs/dbraw/zinc/14/73/51/432147351.db2.gz AVHFIHKRDAUOCM-OAHLLOKOSA-N 2 2 321.465 3.204 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181852867 432147354 /nfs/dbraw/zinc/14/73/54/432147354.db2.gz AVHFIHKRDAUOCM-OAHLLOKOSA-N 2 2 321.465 3.204 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604092 432149421 /nfs/dbraw/zinc/14/94/21/432149421.db2.gz GIAVBAMBINFSHX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604092 432149423 /nfs/dbraw/zinc/14/94/23/432149423.db2.gz GIAVBAMBINFSHX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000246604092 432149427 /nfs/dbraw/zinc/14/94/27/432149427.db2.gz GIAVBAMBINFSHX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000246604092 432149429 /nfs/dbraw/zinc/14/94/29/432149429.db2.gz GIAVBAMBINFSHX-ZFWWWQNUSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000105900779 194165442 /nfs/dbraw/zinc/16/54/42/194165442.db2.gz GKTKTVMSVGOEHH-IBGZPJMESA-N 2 2 321.428 3.214 10 0 DGAELP Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000105900779 194165444 /nfs/dbraw/zinc/16/54/44/194165444.db2.gz GKTKTVMSVGOEHH-IBGZPJMESA-N 2 2 321.428 3.214 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCCc3ccncc3)C2)n2c1CCCC2 ZINC000337449809 253117905 /nfs/dbraw/zinc/11/79/05/253117905.db2.gz SBKQSIYQAAAKOZ-GOSISDBHSA-N 2 2 324.472 3.427 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCCc3ccncc3)C2)n2c1CCCC2 ZINC000337449809 253117907 /nfs/dbraw/zinc/11/79/07/253117907.db2.gz SBKQSIYQAAAKOZ-GOSISDBHSA-N 2 2 324.472 3.427 10 0 DGAELP C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000157923560 197226979 /nfs/dbraw/zinc/22/69/79/197226979.db2.gz DZIWNPVXZJOXFV-CVEARBPZSA-N 2 2 309.417 3.198 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000120619750 195202599 /nfs/dbraw/zinc/20/25/99/195202599.db2.gz HMRRCNYQQAWQGX-GOSISDBHSA-N 2 2 318.509 3.237 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000120619750 195202600 /nfs/dbraw/zinc/20/26/00/195202600.db2.gz HMRRCNYQQAWQGX-GOSISDBHSA-N 2 2 318.509 3.237 10 0 DGAELP C[C@]1(C[NH2+]CC2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121809929 195352752 /nfs/dbraw/zinc/35/27/52/195352752.db2.gz LCOCWSZCLPZTKO-LJQANCHMSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@]1(C[NH2+]CC2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000121809929 195352753 /nfs/dbraw/zinc/35/27/53/195352753.db2.gz LCOCWSZCLPZTKO-LJQANCHMSA-N 2 2 302.462 3.057 10 0 DGAELP CCn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000121819056 195353661 /nfs/dbraw/zinc/35/36/61/195353661.db2.gz GJALJIFCOZPZCK-LJQANCHMSA-N 2 2 312.461 3.047 10 0 DGAELP CCn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000121819056 195353665 /nfs/dbraw/zinc/35/36/65/195353665.db2.gz GJALJIFCOZPZCK-LJQANCHMSA-N 2 2 312.461 3.047 10 0 DGAELP Cc1ccc(F)cc1C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328639804 400184109 /nfs/dbraw/zinc/18/41/09/400184109.db2.gz PPEODCDVFGCFQZ-QGZVFWFLSA-N 2 2 313.420 3.141 10 0 DGAELP Cc1ccc(F)cc1C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328639804 400184112 /nfs/dbraw/zinc/18/41/12/400184112.db2.gz PPEODCDVFGCFQZ-QGZVFWFLSA-N 2 2 313.420 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cncc2ccccc21 ZINC000616692340 400206693 /nfs/dbraw/zinc/20/66/93/400206693.db2.gz NMALQVAWKALVQD-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cncc2ccccc21 ZINC000616692340 400206699 /nfs/dbraw/zinc/20/66/99/400206699.db2.gz NMALQVAWKALVQD-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000124499746 400475951 /nfs/dbraw/zinc/47/59/51/400475951.db2.gz KTNQZULVPOSALG-GHMZBOCLSA-N 2 2 303.233 3.184 10 0 DGAELP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000124499746 400475956 /nfs/dbraw/zinc/47/59/56/400475956.db2.gz KTNQZULVPOSALG-GHMZBOCLSA-N 2 2 303.233 3.184 10 0 DGAELP C[N@@H+](Cc1csc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172584979 400833946 /nfs/dbraw/zinc/83/39/46/400833946.db2.gz WPYCHIYWKORWHT-NSHDSACASA-N 2 2 317.296 3.284 10 0 DGAELP C[N@H+](Cc1csc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000172584979 400833955 /nfs/dbraw/zinc/83/39/55/400833955.db2.gz WPYCHIYWKORWHT-NSHDSACASA-N 2 2 317.296 3.284 10 0 DGAELP C[NH+](Cc1csc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000172584979 400833959 /nfs/dbraw/zinc/83/39/59/400833959.db2.gz WPYCHIYWKORWHT-NSHDSACASA-N 2 2 317.296 3.284 10 0 DGAELP C[NH+](Cc1csc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172584979 400833964 /nfs/dbraw/zinc/83/39/64/400833964.db2.gz WPYCHIYWKORWHT-NSHDSACASA-N 2 2 317.296 3.284 10 0 DGAELP CC1=CCN(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000358224345 286002921 /nfs/dbraw/zinc/00/29/21/286002921.db2.gz MFRMJAHFEGRERI-QGZVFWFLSA-N 2 2 310.445 3.175 10 0 DGAELP Brc1cccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCC2)c1 ZINC000634993414 401397818 /nfs/dbraw/zinc/39/78/18/401397818.db2.gz UDHHFBGNMBFALL-UHFFFAOYSA-N 2 2 321.262 3.170 10 0 DGAELP c1cn(-c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)cc2)c[nH+]1 ZINC000631253966 401438534 /nfs/dbraw/zinc/43/85/34/401438534.db2.gz MPVCSUGZZOKSHC-OALUTQOASA-N 2 2 311.429 3.310 10 0 DGAELP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000623345125 401495616 /nfs/dbraw/zinc/49/56/16/401495616.db2.gz RUKPHDVGFHYFNV-UHFFFAOYSA-N 2 2 304.381 3.483 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCCO1 ZINC000623895457 401595527 /nfs/dbraw/zinc/59/55/27/401595527.db2.gz QYOAWKDGFKWRBO-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCCO1 ZINC000623895457 401595530 /nfs/dbraw/zinc/59/55/30/401595530.db2.gz QYOAWKDGFKWRBO-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000628225759 401553807 /nfs/dbraw/zinc/55/38/07/401553807.db2.gz MNWRWEYJYBVQSA-KDOFPFPSSA-N 2 2 313.445 3.434 10 0 DGAELP Cc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000628225759 401553808 /nfs/dbraw/zinc/55/38/08/401553808.db2.gz MNWRWEYJYBVQSA-KDOFPFPSSA-N 2 2 313.445 3.434 10 0 DGAELP c1cn(CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)c[nH+]1 ZINC000358924553 286188826 /nfs/dbraw/zinc/18/88/26/286188826.db2.gz DRYOTOSFBSVRSP-GOSISDBHSA-N 2 2 321.428 3.126 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000192951580 165313030 /nfs/dbraw/zinc/31/30/30/165313030.db2.gz GGYWBMNUMSYXPN-HNNXBMFYSA-N 2 2 317.408 3.430 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000192951580 165313033 /nfs/dbraw/zinc/31/30/33/165313033.db2.gz GGYWBMNUMSYXPN-HNNXBMFYSA-N 2 2 317.408 3.430 10 0 DGAELP CC(C)[NH2+]CC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000193442136 165327153 /nfs/dbraw/zinc/32/71/53/165327153.db2.gz ZRQMZLKNUFZLOE-UHFFFAOYSA-N 2 2 318.440 3.078 10 0 DGAELP CC(C)[NH2+]CC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000193442136 165327159 /nfs/dbraw/zinc/32/71/59/165327159.db2.gz ZRQMZLKNUFZLOE-UHFFFAOYSA-N 2 2 318.440 3.078 10 0 DGAELP CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515952 165374281 /nfs/dbraw/zinc/37/42/81/165374281.db2.gz MTMMTOLFRCFZSX-ZIAGYGMSSA-N 2 2 315.421 3.083 10 0 DGAELP CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515952 165374285 /nfs/dbraw/zinc/37/42/85/165374285.db2.gz MTMMTOLFRCFZSX-ZIAGYGMSSA-N 2 2 315.421 3.083 10 0 DGAELP CC1(C)C[N@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000261606925 165721926 /nfs/dbraw/zinc/72/19/26/165721926.db2.gz BGOIQYBNUVCPGI-HNNXBMFYSA-N 2 2 301.459 3.369 10 0 DGAELP CC1(C)C[N@@H+](Cc2ncc(-c3ccccc3)s2)CC[C@@H]1[NH3+] ZINC000261606925 165721929 /nfs/dbraw/zinc/72/19/29/165721929.db2.gz BGOIQYBNUVCPGI-HNNXBMFYSA-N 2 2 301.459 3.369 10 0 DGAELP Fc1cccc(OCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641976 432153914 /nfs/dbraw/zinc/15/39/14/432153914.db2.gz UGNSWPKUWSKPPA-OAHLLOKOSA-N 2 2 315.392 3.034 10 0 DGAELP Fc1cccc(OCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641976 432153918 /nfs/dbraw/zinc/15/39/18/432153918.db2.gz UGNSWPKUWSKPPA-OAHLLOKOSA-N 2 2 315.392 3.034 10 0 DGAELP c1ccc(CC[NH+]2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000171838226 432177360 /nfs/dbraw/zinc/17/73/60/432177360.db2.gz IMBBLHHPAYPRTM-UHFFFAOYSA-N 2 2 322.456 3.473 10 0 DGAELP c1cc(N2CCC(CCC[NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000129672004 196067121 /nfs/dbraw/zinc/06/71/21/196067121.db2.gz DRLNNKZVXBMDFX-UHFFFAOYSA-N 2 2 314.477 3.446 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247180922 432209870 /nfs/dbraw/zinc/20/98/70/432209870.db2.gz VVPWFRBNAUSEDH-OCCSQVGLSA-N 2 2 317.437 3.098 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247180922 432209874 /nfs/dbraw/zinc/20/98/74/432209874.db2.gz VVPWFRBNAUSEDH-OCCSQVGLSA-N 2 2 317.437 3.098 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000247218085 432213893 /nfs/dbraw/zinc/21/38/93/432213893.db2.gz YHMBHGQZQJYXQI-DLBZAZTESA-N 2 2 319.836 3.043 10 0 DGAELP c1[nH]nc2cc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)ccc12 ZINC000299750938 229393339 /nfs/dbraw/zinc/39/33/39/229393339.db2.gz OVFRLGKEZULNNA-INIZCTEOSA-N 2 2 321.428 3.085 10 0 DGAELP c1[nH]nc2cc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)ccc12 ZINC000299750938 229393343 /nfs/dbraw/zinc/39/33/43/229393343.db2.gz OVFRLGKEZULNNA-INIZCTEOSA-N 2 2 321.428 3.085 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244096 266014295 /nfs/dbraw/zinc/01/42/95/266014295.db2.gz XWIMOGFRDOOXDQ-QZTJIDSGSA-N 2 2 311.429 3.121 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244096 266014297 /nfs/dbraw/zinc/01/42/97/266014297.db2.gz XWIMOGFRDOOXDQ-QZTJIDSGSA-N 2 2 311.429 3.121 10 0 DGAELP Fc1ccc2oc(C[NH+]3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000151341749 432239443 /nfs/dbraw/zinc/23/94/43/432239443.db2.gz ZCYWXIQBSYMEOD-UHFFFAOYSA-N 2 2 300.337 3.001 10 0 DGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccn1C ZINC000182940248 432243049 /nfs/dbraw/zinc/24/30/49/432243049.db2.gz VHSIMMCLBJHGHD-UXDRXVOSSA-N 2 2 324.472 3.266 10 0 DGAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccn1C ZINC000182940248 432243050 /nfs/dbraw/zinc/24/30/50/432243050.db2.gz VHSIMMCLBJHGHD-UXDRXVOSSA-N 2 2 324.472 3.266 10 0 DGAELP c1n[nH]c2c1[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000367618148 271052250 /nfs/dbraw/zinc/05/22/50/271052250.db2.gz RTKPJKXNWNJMDB-GOSISDBHSA-N 2 2 310.445 3.173 10 0 DGAELP c1[nH]nc2c1[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)CCC2 ZINC000367625868 271054475 /nfs/dbraw/zinc/05/44/75/271054475.db2.gz ZJAYCLVLAOIWMY-PKOBYXMFSA-N 2 2 310.445 3.214 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000368860654 271216782 /nfs/dbraw/zinc/21/67/82/271216782.db2.gz XXDZHGUKQJSRSV-QGZVFWFLSA-N 2 2 319.412 3.042 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ccncn4)C3)cc2)c[nH+]1 ZINC000368860654 271216786 /nfs/dbraw/zinc/21/67/86/271216786.db2.gz XXDZHGUKQJSRSV-QGZVFWFLSA-N 2 2 319.412 3.042 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000151532775 432254211 /nfs/dbraw/zinc/25/42/11/432254211.db2.gz ZJFAZTABJVHVDQ-GOSISDBHSA-N 2 2 304.397 3.435 10 0 DGAELP Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000068658584 431134312 /nfs/dbraw/zinc/13/43/12/431134312.db2.gz ILEJKEHRPYHCFT-OAHLLOKOSA-N 2 2 323.400 3.155 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000122624417 431840051 /nfs/dbraw/zinc/84/00/51/431840051.db2.gz KZSUZKOROSIOTL-HNNXBMFYSA-N 2 2 317.437 3.315 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000122624417 431840053 /nfs/dbraw/zinc/84/00/53/431840053.db2.gz KZSUZKOROSIOTL-HNNXBMFYSA-N 2 2 317.437 3.315 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000122875726 431847138 /nfs/dbraw/zinc/84/71/38/431847138.db2.gz ODMUAYZQTOOGTA-SFHVURJKSA-N 2 2 313.445 3.429 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(COC)cc2)C1 ZINC000122875726 431847140 /nfs/dbraw/zinc/84/71/40/431847140.db2.gz ODMUAYZQTOOGTA-SFHVURJKSA-N 2 2 313.445 3.429 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129689 431860746 /nfs/dbraw/zinc/86/07/46/431860746.db2.gz YSTRKTFBCOPCEM-IUODEOHRSA-N 2 2 324.490 3.005 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129689 431860749 /nfs/dbraw/zinc/86/07/49/431860749.db2.gz YSTRKTFBCOPCEM-IUODEOHRSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129689 431860751 /nfs/dbraw/zinc/86/07/51/431860751.db2.gz YSTRKTFBCOPCEM-IUODEOHRSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000089129689 431860753 /nfs/dbraw/zinc/86/07/53/431860753.db2.gz YSTRKTFBCOPCEM-IUODEOHRSA-N 2 2 324.490 3.005 10 0 DGAELP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000089427194 431865951 /nfs/dbraw/zinc/86/59/51/431865951.db2.gz NZPNIQMEYDJUOH-ROUUACIJSA-N 2 2 302.462 3.323 10 0 DGAELP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000089427194 431865953 /nfs/dbraw/zinc/86/59/53/431865953.db2.gz NZPNIQMEYDJUOH-ROUUACIJSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000089427194 431865955 /nfs/dbraw/zinc/86/59/55/431865955.db2.gz NZPNIQMEYDJUOH-ROUUACIJSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000089427194 431865956 /nfs/dbraw/zinc/86/59/56/431865956.db2.gz NZPNIQMEYDJUOH-ROUUACIJSA-N 2 2 302.462 3.323 10 0 DGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000090003713 431888812 /nfs/dbraw/zinc/88/88/12/431888812.db2.gz WWTAJPFXEGSSKW-MRXNPFEDSA-N 2 2 320.440 3.423 10 0 DGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000090003713 431888813 /nfs/dbraw/zinc/88/88/13/431888813.db2.gz WWTAJPFXEGSSKW-MRXNPFEDSA-N 2 2 320.440 3.423 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000173698981 432295141 /nfs/dbraw/zinc/29/51/41/432295141.db2.gz PWJOTIHOCZHBKS-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000173698981 432295144 /nfs/dbraw/zinc/29/51/44/432295144.db2.gz PWJOTIHOCZHBKS-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004744 432261695 /nfs/dbraw/zinc/26/16/95/432261695.db2.gz KSQJSNLMGYPPRG-DZGCQCFKSA-N 2 2 310.388 3.204 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004744 432261702 /nfs/dbraw/zinc/26/17/02/432261702.db2.gz KSQJSNLMGYPPRG-DZGCQCFKSA-N 2 2 310.388 3.204 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004744 432261707 /nfs/dbraw/zinc/26/17/07/432261707.db2.gz KSQJSNLMGYPPRG-DZGCQCFKSA-N 2 2 310.388 3.204 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004744 432261710 /nfs/dbraw/zinc/26/17/10/432261710.db2.gz KSQJSNLMGYPPRG-DZGCQCFKSA-N 2 2 310.388 3.204 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000248880926 432325990 /nfs/dbraw/zinc/32/59/90/432325990.db2.gz PMANJPNCOMGLGL-HUUCEWRRSA-N 2 2 321.465 3.203 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000248880926 432325992 /nfs/dbraw/zinc/32/59/92/432325992.db2.gz PMANJPNCOMGLGL-HUUCEWRRSA-N 2 2 321.465 3.203 10 0 DGAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCO1 ZINC000183928296 432335185 /nfs/dbraw/zinc/33/51/85/432335185.db2.gz RTGJBDLLLMKMSK-CQSZACIVSA-N 2 2 324.415 3.309 10 0 DGAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCO1 ZINC000183928296 432335188 /nfs/dbraw/zinc/33/51/88/432335188.db2.gz RTGJBDLLLMKMSK-CQSZACIVSA-N 2 2 324.415 3.309 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000249163622 432342017 /nfs/dbraw/zinc/34/20/17/432342017.db2.gz ZZDKVQDLNYPQOY-QRQLOZEOSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000249163622 432342020 /nfs/dbraw/zinc/34/20/20/432342020.db2.gz ZZDKVQDLNYPQOY-QRQLOZEOSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnn1C ZINC000192936222 432431364 /nfs/dbraw/zinc/43/13/64/432431364.db2.gz GWOGGHMJUAIGDB-SOLBZPMBSA-N 2 2 312.461 3.124 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccnn1C ZINC000192936222 432431369 /nfs/dbraw/zinc/43/13/69/432431369.db2.gz GWOGGHMJUAIGDB-SOLBZPMBSA-N 2 2 312.461 3.124 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc(Cl)s3)C2)[nH+]1 ZINC000175421046 432434242 /nfs/dbraw/zinc/43/42/42/432434242.db2.gz OBLSSFUPTLHLMH-LBPRGKRZSA-N 2 2 322.865 3.434 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnc(Cl)s3)C2)[nH+]1 ZINC000175421046 432434245 /nfs/dbraw/zinc/43/42/45/432434245.db2.gz OBLSSFUPTLHLMH-LBPRGKRZSA-N 2 2 322.865 3.434 10 0 DGAELP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261837935 432453959 /nfs/dbraw/zinc/45/39/59/432453959.db2.gz YHQTVCWMCOXQSI-FKEKPDDDSA-N 2 2 315.392 3.196 10 0 DGAELP C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261837935 432453966 /nfs/dbraw/zinc/45/39/66/432453966.db2.gz YHQTVCWMCOXQSI-FKEKPDDDSA-N 2 2 315.392 3.196 10 0 DGAELP CCC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccnc1 ZINC000184989225 432454332 /nfs/dbraw/zinc/45/43/32/432454332.db2.gz KPPCSUGSICBTDP-KRWDZBQOSA-N 2 2 307.401 3.293 10 0 DGAELP C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000175258873 432416762 /nfs/dbraw/zinc/41/67/62/432416762.db2.gz HMWYALBVRJRKGO-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000175258873 432416767 /nfs/dbraw/zinc/41/67/67/432416767.db2.gz HMWYALBVRJRKGO-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000175258873 432416772 /nfs/dbraw/zinc/41/67/72/432416772.db2.gz HMWYALBVRJRKGO-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000175258873 432416774 /nfs/dbraw/zinc/41/67/74/432416774.db2.gz HMWYALBVRJRKGO-AWEZNQCLSA-N 2 2 317.408 3.254 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184699742 432422292 /nfs/dbraw/zinc/42/22/92/432422292.db2.gz LUQJZCUWSMBBRU-NSHDSACASA-N 2 2 324.683 3.435 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(Cl)(Cl)Cl)C1 ZINC000184699742 432422296 /nfs/dbraw/zinc/42/22/96/432422296.db2.gz LUQJZCUWSMBBRU-NSHDSACASA-N 2 2 324.683 3.435 10 0 DGAELP [NH3+]Cc1nc(C[NH+](CC2CCCCC2)CC2CCCCC2)no1 ZINC000262148070 432476955 /nfs/dbraw/zinc/47/69/55/432476955.db2.gz FQNPPDXFZFLCFL-UHFFFAOYSA-N 2 2 320.481 3.491 10 0 DGAELP [NH3+]Cc1nc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)no1 ZINC000262227241 432478334 /nfs/dbraw/zinc/47/83/34/432478334.db2.gz NIHRVLOQBDNFJR-UHFFFAOYSA-N 2 2 318.396 3.002 10 0 DGAELP [NH3+]Cc1nc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)no1 ZINC000262227241 432478338 /nfs/dbraw/zinc/47/83/38/432478338.db2.gz NIHRVLOQBDNFJR-UHFFFAOYSA-N 2 2 318.396 3.002 10 0 DGAELP Cc1oc(-c2cccs2)nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261979003 432465382 /nfs/dbraw/zinc/46/53/82/432465382.db2.gz RBOCBNQCDCDQMY-PBWFPOADSA-N 2 2 317.458 3.426 10 0 DGAELP Cc1oc(-c2cccs2)nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261979003 432465385 /nfs/dbraw/zinc/46/53/85/432465385.db2.gz RBOCBNQCDCDQMY-PBWFPOADSA-N 2 2 317.458 3.426 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000178290015 432716014 /nfs/dbraw/zinc/71/60/14/432716014.db2.gz FWMLPJOXDMAOIJ-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000178290015 432716020 /nfs/dbraw/zinc/71/60/20/432716020.db2.gz FWMLPJOXDMAOIJ-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000178298683 432717496 /nfs/dbraw/zinc/71/74/96/432717496.db2.gz MIKOGFLSIMVQRI-IRXDYDNUSA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000178298683 432717501 /nfs/dbraw/zinc/71/75/01/432717501.db2.gz MIKOGFLSIMVQRI-IRXDYDNUSA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000178306753 432719133 /nfs/dbraw/zinc/71/91/33/432719133.db2.gz IFDSUNFKJAYCFF-QGZVFWFLSA-N 2 2 317.408 3.264 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOc1ccc(F)cc1 ZINC000178306753 432719136 /nfs/dbraw/zinc/71/91/36/432719136.db2.gz IFDSUNFKJAYCFF-QGZVFWFLSA-N 2 2 317.408 3.264 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2cccnc21 ZINC000178323849 432719891 /nfs/dbraw/zinc/71/98/91/432719891.db2.gz YYKLJPQTIWWWGB-SFHVURJKSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000178323849 432719893 /nfs/dbraw/zinc/71/98/93/432719893.db2.gz YYKLJPQTIWWWGB-SFHVURJKSA-N 2 2 306.413 3.404 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000187702664 432678799 /nfs/dbraw/zinc/67/87/99/432678799.db2.gz ZSGFZNSUZIPNCK-IEBWSBKVSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000187702664 432678804 /nfs/dbraw/zinc/67/88/04/432678804.db2.gz ZSGFZNSUZIPNCK-IEBWSBKVSA-N 2 2 304.478 3.446 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187812081 432686053 /nfs/dbraw/zinc/68/60/53/432686053.db2.gz RROKGVVXYFHNSW-PBHICJAKSA-N 2 2 310.869 3.144 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187812081 432686057 /nfs/dbraw/zinc/68/60/57/432686057.db2.gz RROKGVVXYFHNSW-PBHICJAKSA-N 2 2 310.869 3.144 10 0 DGAELP C[N@H+](Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231458978 432732623 /nfs/dbraw/zinc/73/26/23/432732623.db2.gz ONZUZBKVBMQOHC-INIZCTEOSA-N 2 2 301.459 3.384 10 0 DGAELP C[N@@H+](Cc1csc(-c2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000231458978 432732625 /nfs/dbraw/zinc/73/26/25/432732625.db2.gz ONZUZBKVBMQOHC-INIZCTEOSA-N 2 2 301.459 3.384 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000245740481 432860382 /nfs/dbraw/zinc/86/03/82/432860382.db2.gz LOPNLKGKDNANEJ-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000245740481 432860384 /nfs/dbraw/zinc/86/03/84/432860384.db2.gz LOPNLKGKDNANEJ-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245740481 432860386 /nfs/dbraw/zinc/86/03/86/432860386.db2.gz LOPNLKGKDNANEJ-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000245740481 432860389 /nfs/dbraw/zinc/86/03/89/432860389.db2.gz LOPNLKGKDNANEJ-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP C[C@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245748549 432860912 /nfs/dbraw/zinc/86/09/12/432860912.db2.gz YMORQCCCHAPRDK-GOEBONIOSA-N 2 2 323.400 3.016 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000245748549 432860914 /nfs/dbraw/zinc/86/09/14/432860914.db2.gz YMORQCCCHAPRDK-GOEBONIOSA-N 2 2 323.400 3.016 10 0 DGAELP CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245803009 432864568 /nfs/dbraw/zinc/86/45/68/432864568.db2.gz XZYIBYODTFOANF-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245803009 432864570 /nfs/dbraw/zinc/86/45/70/432864570.db2.gz XZYIBYODTFOANF-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245803009 432864571 /nfs/dbraw/zinc/86/45/71/432864571.db2.gz XZYIBYODTFOANF-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245803009 432864572 /nfs/dbraw/zinc/86/45/72/432864572.db2.gz XZYIBYODTFOANF-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000163281164 432847491 /nfs/dbraw/zinc/84/74/91/432847491.db2.gz SFHVSMUOJPQOPT-FUHWJXTLSA-N 2 2 304.478 3.053 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000163281164 432847494 /nfs/dbraw/zinc/84/74/94/432847494.db2.gz SFHVSMUOJPQOPT-FUHWJXTLSA-N 2 2 304.478 3.053 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000163281277 432847886 /nfs/dbraw/zinc/84/78/86/432847886.db2.gz SFHVSMUOJPQOPT-SJLPKXTDSA-N 2 2 304.478 3.053 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000163281277 432847890 /nfs/dbraw/zinc/84/78/90/432847890.db2.gz SFHVSMUOJPQOPT-SJLPKXTDSA-N 2 2 304.478 3.053 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@H](c2cccnc2)C2CCC2)c[nH+]1 ZINC000280382846 433043515 /nfs/dbraw/zinc/04/35/15/433043515.db2.gz VYXNBPPMKZZQAA-SFHVURJKSA-N 2 2 319.412 3.293 10 0 DGAELP C=Cn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cn1 ZINC000290576025 433099638 /nfs/dbraw/zinc/09/96/38/433099638.db2.gz UEVXQERKYKAZLH-RTBURBONSA-N 2 2 319.412 3.199 10 0 DGAELP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000453385482 433140208 /nfs/dbraw/zinc/14/02/08/433140208.db2.gz NLMOQMPNKNHLEZ-MAUKXSAKSA-N 2 2 313.445 3.237 10 0 DGAELP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000453385482 433140220 /nfs/dbraw/zinc/14/02/20/433140220.db2.gz NLMOQMPNKNHLEZ-MAUKXSAKSA-N 2 2 313.445 3.237 10 0 DGAELP CC(C)n1c[nH+]cc1CN[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000336724019 433185707 /nfs/dbraw/zinc/18/57/07/433185707.db2.gz WYLDSBZEMCXISH-INIZCTEOSA-N 2 2 300.450 3.074 10 0 DGAELP CC(C)n1c[nH+]cc1CN[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000336724019 433185717 /nfs/dbraw/zinc/18/57/17/433185717.db2.gz WYLDSBZEMCXISH-INIZCTEOSA-N 2 2 300.450 3.074 10 0 DGAELP c1csc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281927100 433429073 /nfs/dbraw/zinc/42/90/73/433429073.db2.gz CZILBSXVDULUFD-CYBMUJFWSA-N 2 2 302.447 3.056 10 0 DGAELP c1csc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281927100 433429080 /nfs/dbraw/zinc/42/90/80/433429080.db2.gz CZILBSXVDULUFD-CYBMUJFWSA-N 2 2 302.447 3.056 10 0 DGAELP c1cc(NC2CC[NH+](CC3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000301232174 433463970 /nfs/dbraw/zinc/46/39/70/433463970.db2.gz IILQSJZAUGUUAG-UHFFFAOYSA-N 2 2 300.450 3.421 10 0 DGAELP Cc1nocc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000339250543 433468360 /nfs/dbraw/zinc/46/83/60/433468360.db2.gz WNAXFQDYRYOOBE-YQQQUEKLSA-N 2 2 311.429 3.268 10 0 DGAELP Cc1nocc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000339250543 433468366 /nfs/dbraw/zinc/46/83/66/433468366.db2.gz WNAXFQDYRYOOBE-YQQQUEKLSA-N 2 2 311.429 3.268 10 0 DGAELP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC000414354633 433564159 /nfs/dbraw/zinc/56/41/59/433564159.db2.gz VPENHFVPAQKRKE-CTXDPNEZSA-N 2 2 324.472 3.014 10 0 DGAELP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC000414354633 433564163 /nfs/dbraw/zinc/56/41/63/433564163.db2.gz VPENHFVPAQKRKE-CTXDPNEZSA-N 2 2 324.472 3.014 10 0 DGAELP FC(F)(F)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371573389 293212950 /nfs/dbraw/zinc/21/29/50/293212950.db2.gz UBFMNAQKUHHJLD-HNNXBMFYSA-N 2 2 322.415 3.153 10 0 DGAELP FC(F)(F)COCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371573389 293212952 /nfs/dbraw/zinc/21/29/52/293212952.db2.gz UBFMNAQKUHHJLD-HNNXBMFYSA-N 2 2 322.415 3.153 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)[nH+]1 ZINC000374208037 293366381 /nfs/dbraw/zinc/36/63/81/293366381.db2.gz KSRLAABAMUGYGU-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP c1[nH]c(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c[nH+]1 ZINC000374208037 293366383 /nfs/dbraw/zinc/36/63/83/293366383.db2.gz KSRLAABAMUGYGU-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356908452 433760468 /nfs/dbraw/zinc/76/04/68/433760468.db2.gz XTTHPAFQSHMIIZ-MSOLQXFVSA-N 2 2 308.510 3.434 10 0 DGAELP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000376596690 433783299 /nfs/dbraw/zinc/78/32/99/433783299.db2.gz WSUNYQAZCVCOOO-AWEZNQCLSA-N 2 2 316.474 3.364 10 0 DGAELP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000376596690 433783306 /nfs/dbraw/zinc/78/33/06/433783306.db2.gz WSUNYQAZCVCOOO-AWEZNQCLSA-N 2 2 316.474 3.364 10 0 DGAELP c1csc(-c2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)c1 ZINC000377779989 433995590 /nfs/dbraw/zinc/99/55/90/433995590.db2.gz MXSQVAWNUQKOLQ-SNVBAGLBSA-N 2 2 316.455 3.242 10 0 DGAELP c1csc(-c2nc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cs2)c1 ZINC000377779989 433995596 /nfs/dbraw/zinc/99/55/96/433995596.db2.gz MXSQVAWNUQKOLQ-SNVBAGLBSA-N 2 2 316.455 3.242 10 0 DGAELP c1ccc(OCCCC[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000357598004 434092944 /nfs/dbraw/zinc/09/29/44/434092944.db2.gz QTOHIJAKELEXPX-GOSISDBHSA-N 2 2 302.462 3.406 10 0 DGAELP c1ccc(OCCCC[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000357598004 434092956 /nfs/dbraw/zinc/09/29/56/434092956.db2.gz QTOHIJAKELEXPX-GOSISDBHSA-N 2 2 302.462 3.406 10 0 DGAELP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(C)C ZINC000379647189 434261613 /nfs/dbraw/zinc/26/16/13/434261613.db2.gz KDWAFSKEZFCTBU-RBUKOAKNSA-N 2 2 304.478 3.302 10 0 DGAELP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000379647189 434261618 /nfs/dbraw/zinc/26/16/18/434261618.db2.gz KDWAFSKEZFCTBU-RBUKOAKNSA-N 2 2 304.478 3.302 10 0 DGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390575581 434361325 /nfs/dbraw/zinc/36/13/25/434361325.db2.gz CYUUMXRPURXKOO-MOPGFXCFSA-N 3 2 315.505 3.019 10 0 DGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390575581 434361332 /nfs/dbraw/zinc/36/13/32/434361332.db2.gz CYUUMXRPURXKOO-MOPGFXCFSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H](C)O1 ZINC000398088862 434451548 /nfs/dbraw/zinc/45/15/48/434451548.db2.gz WIXYADJBPXXTTP-ZAWLATJESA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H](C)O1 ZINC000398088862 434451551 /nfs/dbraw/zinc/45/15/51/434451551.db2.gz WIXYADJBPXXTTP-ZAWLATJESA-N 2 2 302.462 3.197 10 0 DGAELP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527633947 295107270 /nfs/dbraw/zinc/10/72/70/295107270.db2.gz RELOKWPRXRAZOK-UHFFFAOYSA-N 2 2 304.381 3.483 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000513527931 435392042 /nfs/dbraw/zinc/39/20/42/435392042.db2.gz VXWVAQFDELCEIE-QZFKAFNDSA-N 2 2 322.880 3.301 10 0 DGAELP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)c(C)c1OC ZINC000552068193 435878355 /nfs/dbraw/zinc/87/83/55/435878355.db2.gz MUVMHSINKSQFAE-MRXNPFEDSA-N 2 2 318.461 3.315 10 0 DGAELP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)c(C)c1OC ZINC000552068193 435878359 /nfs/dbraw/zinc/87/83/59/435878359.db2.gz MUVMHSINKSQFAE-MRXNPFEDSA-N 2 2 318.461 3.315 10 0 DGAELP CCCC[C@H](CC)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183614283 323343607 /nfs/dbraw/zinc/34/36/07/323343607.db2.gz XIQHBQCMOJRHJZ-SFHVURJKSA-N 2 2 320.525 3.496 10 0 DGAELP CCCC[C@H](CC)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183614283 323343610 /nfs/dbraw/zinc/34/36/10/323343610.db2.gz XIQHBQCMOJRHJZ-SFHVURJKSA-N 2 2 320.525 3.496 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000163382498 523829298 /nfs/dbraw/zinc/82/92/98/523829298.db2.gz OHMUENHMWYYTJB-TZMCWYRMSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000163382498 523829304 /nfs/dbraw/zinc/82/93/04/523829304.db2.gz OHMUENHMWYYTJB-TZMCWYRMSA-N 2 2 314.832 3.241 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657065 534814316 /nfs/dbraw/zinc/81/43/16/534814316.db2.gz ZYMOJRIMEPIOIB-KDOFPFPSSA-N 2 2 311.385 3.176 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154644791 525386380 /nfs/dbraw/zinc/38/63/80/525386380.db2.gz ZJAPTRUPPHCHEC-AAEUAGOBSA-N 2 2 302.340 3.330 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154644791 525386388 /nfs/dbraw/zinc/38/63/88/525386388.db2.gz ZJAPTRUPPHCHEC-AAEUAGOBSA-N 2 2 302.340 3.330 10 0 DGAELP Cc1cc[nH+]c(NCc2ccc3c(c2)C[NH2+]C3)c1Br ZINC000236001367 546279290 /nfs/dbraw/zinc/27/92/90/546279290.db2.gz VDIYORZGMCTFDJ-UHFFFAOYSA-N 2 2 318.218 3.368 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246969033 546307573 /nfs/dbraw/zinc/30/75/73/546307573.db2.gz JHVRNMIICKLCDM-BBRMVZONSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000246969033 546307577 /nfs/dbraw/zinc/30/75/77/546307577.db2.gz JHVRNMIICKLCDM-BBRMVZONSA-N 2 2 324.465 3.063 10 0 DGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261641910 656940214 /nfs/dbraw/zinc/94/02/14/656940214.db2.gz CJEIXRSSZBKNES-JTNHKYCSSA-N 2 2 315.244 3.041 10 0 DGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000261641910 656940216 /nfs/dbraw/zinc/94/02/16/656940216.db2.gz CJEIXRSSZBKNES-JTNHKYCSSA-N 2 2 315.244 3.041 10 0 DGAELP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188398261 661929230 /nfs/dbraw/zinc/92/92/30/661929230.db2.gz XJMNQKCRCSIOEV-AWEZNQCLSA-N 2 2 320.780 3.109 10 0 DGAELP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188398261 661929232 /nfs/dbraw/zinc/92/92/32/661929232.db2.gz XJMNQKCRCSIOEV-AWEZNQCLSA-N 2 2 320.780 3.109 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H]2CCC=CO2)CCC[N@@H+]1Cc1ccccc1 ZINC000194759116 662172982 /nfs/dbraw/zinc/17/29/82/662172982.db2.gz UWLCRAYGNVJIKX-OALUTQOASA-N 2 2 300.446 3.323 10 0 DGAELP C[C@@]1(C[NH2+]C[C@@H]2CCC=CO2)CCC[N@H+]1Cc1ccccc1 ZINC000194759116 662172984 /nfs/dbraw/zinc/17/29/84/662172984.db2.gz UWLCRAYGNVJIKX-OALUTQOASA-N 2 2 300.446 3.323 10 0 DGAELP C=CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000066969665 1195578652 /nfs/dbraw/zinc/57/86/52/1195578652.db2.gz KSXKXODFGHYMRA-UHFFFAOYSA-N 2 2 305.809 3.281 10 0 DGAELP c1cn(CCC[NH2+]Cc2cnc(-c3ccsc3)s2)c[nH+]1 ZINC000084650353 1197529399 /nfs/dbraw/zinc/52/93/99/1197529399.db2.gz PGOKVRIKGFZSCJ-UHFFFAOYSA-N 2 2 304.444 3.248 10 0 DGAELP c1cn(Cc2cccc(C[NH2+]Cc3ccc4c[nH]nc4c3)c2)c[nH+]1 ZINC000236578170 1202612728 /nfs/dbraw/zinc/61/27/28/1202612728.db2.gz QJPHMFQIJHWJAW-UHFFFAOYSA-N 2 2 317.396 3.098 10 0 DGAELP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000236611721 1202614486 /nfs/dbraw/zinc/61/44/86/1202614486.db2.gz ZDDHJXUOLLTVEH-UHFFFAOYSA-N 2 2 309.251 3.189 10 0 DGAELP c1cn(-c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2)c[nH+]1 ZINC000103143661 432005158 /nfs/dbraw/zinc/00/51/58/432005158.db2.gz WSIFGWYAXMIHOD-UHFFFAOYSA-N 3 2 324.472 3.180 10 0 DGAELP COCc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812590 185343669 /nfs/dbraw/zinc/34/36/69/185343669.db2.gz WBBIZWKMIFUZPQ-GOSISDBHSA-N 2 2 311.429 3.162 10 0 DGAELP COCc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000092812590 185343670 /nfs/dbraw/zinc/34/36/70/185343670.db2.gz WBBIZWKMIFUZPQ-GOSISDBHSA-N 2 2 311.429 3.162 10 0 DGAELP C[NH+](C)C1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107367642 432030959 /nfs/dbraw/zinc/03/09/59/432030959.db2.gz SPOKBWOLVJQAEN-UHFFFAOYSA-N 2 2 316.367 3.110 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000173698879 198242160 /nfs/dbraw/zinc/24/21/60/198242160.db2.gz WJSKJNQCUPYBPF-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000173698879 198242162 /nfs/dbraw/zinc/24/21/62/198242162.db2.gz WJSKJNQCUPYBPF-AWEZNQCLSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663116 191339355 /nfs/dbraw/zinc/33/93/55/191339355.db2.gz MCHNFGNGDXBAFO-UHFFFAOYSA-N 2 2 310.445 3.250 10 0 DGAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000073685146 191341310 /nfs/dbraw/zinc/34/13/10/191341310.db2.gz KEMFCQZEFXZFLB-INIZCTEOSA-N 2 2 310.445 3.487 10 0 DGAELP C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081569742 192293103 /nfs/dbraw/zinc/29/31/03/192293103.db2.gz HRMQHWWQLAASBG-CQSZACIVSA-N 2 2 315.417 3.034 10 0 DGAELP C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081569742 192293105 /nfs/dbraw/zinc/29/31/05/192293105.db2.gz HRMQHWWQLAASBG-CQSZACIVSA-N 2 2 315.417 3.034 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cnccn2)cc1 ZINC000166678384 432061796 /nfs/dbraw/zinc/06/17/96/432061796.db2.gz CQBXYEHBPRGGTP-UONOGXRCSA-N 2 2 307.401 3.383 10 0 DGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)o1 ZINC000275515153 212387282 /nfs/dbraw/zinc/38/72/82/212387282.db2.gz KQSDZTDHUFFIIR-ACXGAUJLSA-N 2 2 315.417 3.146 10 0 DGAELP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915831 432103518 /nfs/dbraw/zinc/10/35/18/432103518.db2.gz LUHGARSGVSARET-GKCIPKSASA-N 2 2 319.408 3.181 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273472 432115415 /nfs/dbraw/zinc/11/54/15/432115415.db2.gz SCRGAPXZPTVNLB-SWLSCSKDSA-N 2 2 305.397 3.129 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273472 432115418 /nfs/dbraw/zinc/11/54/18/432115418.db2.gz SCRGAPXZPTVNLB-SWLSCSKDSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273472 432115423 /nfs/dbraw/zinc/11/54/23/432115423.db2.gz SCRGAPXZPTVNLB-SWLSCSKDSA-N 2 2 305.397 3.129 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000246273472 432115425 /nfs/dbraw/zinc/11/54/25/432115425.db2.gz SCRGAPXZPTVNLB-SWLSCSKDSA-N 2 2 305.397 3.129 10 0 DGAELP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664892 284013642 /nfs/dbraw/zinc/01/36/42/284013642.db2.gz CDONPNGZDJDYFO-HNNXBMFYSA-N 2 2 322.518 3.200 10 0 DGAELP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000093664892 284013645 /nfs/dbraw/zinc/01/36/45/284013645.db2.gz CDONPNGZDJDYFO-HNNXBMFYSA-N 2 2 322.518 3.200 10 0 DGAELP COc1ccc(C[C@@H](C)C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1F ZINC000470326037 244164443 /nfs/dbraw/zinc/16/44/43/244164443.db2.gz CQCAPQCESJYBKL-MRXNPFEDSA-N 2 2 320.452 3.255 10 0 DGAELP COc1ccc(C[C@@H](C)C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1F ZINC000470326037 244164455 /nfs/dbraw/zinc/16/44/55/244164455.db2.gz CQCAPQCESJYBKL-MRXNPFEDSA-N 2 2 320.452 3.255 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597733 193273369 /nfs/dbraw/zinc/27/33/69/193273369.db2.gz VYKNTIFCIZUQIW-AWEZNQCLSA-N 2 2 324.900 3.115 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597733 193273370 /nfs/dbraw/zinc/27/33/70/193273370.db2.gz VYKNTIFCIZUQIW-AWEZNQCLSA-N 2 2 324.900 3.115 10 0 DGAELP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644248 193281165 /nfs/dbraw/zinc/28/11/65/193281165.db2.gz LAFXZJDQGRBXJA-ZBFHGGJFSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644248 193281167 /nfs/dbraw/zinc/28/11/67/193281167.db2.gz LAFXZJDQGRBXJA-ZBFHGGJFSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644248 193281169 /nfs/dbraw/zinc/28/11/69/193281169.db2.gz LAFXZJDQGRBXJA-ZBFHGGJFSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000093644248 193281170 /nfs/dbraw/zinc/28/11/70/193281170.db2.gz LAFXZJDQGRBXJA-ZBFHGGJFSA-N 2 2 306.450 3.008 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093643856 193281968 /nfs/dbraw/zinc/28/19/68/193281968.db2.gz AOYSGDVZVXSVNX-BEFAXECRSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093643856 193281969 /nfs/dbraw/zinc/28/19/69/193281969.db2.gz AOYSGDVZVXSVNX-BEFAXECRSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643856 193281971 /nfs/dbraw/zinc/28/19/71/193281971.db2.gz AOYSGDVZVXSVNX-BEFAXECRSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093643856 193281973 /nfs/dbraw/zinc/28/19/73/193281973.db2.gz AOYSGDVZVXSVNX-BEFAXECRSA-N 2 2 312.461 3.095 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643793 193282159 /nfs/dbraw/zinc/28/21/59/193282159.db2.gz GZFRBYJSOOXAEN-DGCLKSJQSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000093643793 193282161 /nfs/dbraw/zinc/28/21/61/193282161.db2.gz GZFRBYJSOOXAEN-DGCLKSJQSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643793 193282162 /nfs/dbraw/zinc/28/21/62/193282162.db2.gz GZFRBYJSOOXAEN-DGCLKSJQSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643793 193282164 /nfs/dbraw/zinc/28/21/64/193282164.db2.gz GZFRBYJSOOXAEN-DGCLKSJQSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094342012 193362553 /nfs/dbraw/zinc/36/25/53/193362553.db2.gz VNEMLWUDVSCVQO-MFKMUULPSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1[NH3+] ZINC000094342012 193362555 /nfs/dbraw/zinc/36/25/55/193362555.db2.gz VNEMLWUDVSCVQO-MFKMUULPSA-N 2 2 303.233 3.041 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246405139 432127358 /nfs/dbraw/zinc/12/73/58/432127358.db2.gz LYNCYRSHKZQWTN-TXPKVOOTSA-N 2 2 320.477 3.091 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246405139 432127359 /nfs/dbraw/zinc/12/73/59/432127359.db2.gz LYNCYRSHKZQWTN-TXPKVOOTSA-N 2 2 320.477 3.091 10 0 DGAELP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000037000844 182860069 /nfs/dbraw/zinc/86/00/69/182860069.db2.gz KYGXBCWMGMLHEZ-MLGOLLRUSA-N 2 2 323.278 3.064 10 0 DGAELP CC[N@@H+]([C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)[C@@H](C)COC ZINC000042743137 183304541 /nfs/dbraw/zinc/30/45/41/183304541.db2.gz CNYWSDWKJKGSRT-HZMBPMFUSA-N 2 2 305.249 3.350 10 0 DGAELP CC[N@H+]([C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)[C@@H](C)COC ZINC000042743137 183304544 /nfs/dbraw/zinc/30/45/44/183304544.db2.gz CNYWSDWKJKGSRT-HZMBPMFUSA-N 2 2 305.249 3.350 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000105897897 194163348 /nfs/dbraw/zinc/16/33/48/194163348.db2.gz FXOJWOZWTDKVGJ-OAHLLOKOSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000105897897 194163350 /nfs/dbraw/zinc/16/33/50/194163350.db2.gz FXOJWOZWTDKVGJ-OAHLLOKOSA-N 2 2 301.438 3.060 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)c[nH+]1 ZINC000337305143 253083064 /nfs/dbraw/zinc/08/30/64/253083064.db2.gz RDPIHKZZPUIWAL-MRXNPFEDSA-N 2 2 317.458 3.373 10 0 DGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2OC)C1 ZINC000255196574 285137414 /nfs/dbraw/zinc/13/74/14/285137414.db2.gz QZQOABMYOGCQBJ-KMDWOBIYSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2OC)C1 ZINC000255196574 285137417 /nfs/dbraw/zinc/13/74/17/285137417.db2.gz QZQOABMYOGCQBJ-KMDWOBIYSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000255196574 285137419 /nfs/dbraw/zinc/13/74/19/285137419.db2.gz QZQOABMYOGCQBJ-KMDWOBIYSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2OC)C1 ZINC000255196574 285137422 /nfs/dbraw/zinc/13/74/22/285137422.db2.gz QZQOABMYOGCQBJ-KMDWOBIYSA-N 2 2 302.462 3.372 10 0 DGAELP C[N@H+](CCCC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000120487652 195175940 /nfs/dbraw/zinc/17/59/40/195175940.db2.gz WRVFTDMLEVVTMJ-UHFFFAOYSA-N 2 2 318.509 3.250 10 0 DGAELP C[N@@H+](CCCC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000120487652 195175942 /nfs/dbraw/zinc/17/59/42/195175942.db2.gz WRVFTDMLEVVTMJ-UHFFFAOYSA-N 2 2 318.509 3.250 10 0 DGAELP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127700917 195901935 /nfs/dbraw/zinc/90/19/35/195901935.db2.gz QXIXRAURUKPRIF-UHFFFAOYSA-N 2 2 324.472 3.241 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616608205 400183094 /nfs/dbraw/zinc/18/30/94/400183094.db2.gz OHQJFPIOFKRIMP-INIZCTEOSA-N 2 2 319.449 3.154 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616608205 400183097 /nfs/dbraw/zinc/18/30/97/400183097.db2.gz OHQJFPIOFKRIMP-INIZCTEOSA-N 2 2 319.449 3.154 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2cccnc21 ZINC000616681364 400201995 /nfs/dbraw/zinc/20/19/95/400201995.db2.gz XEKYGMSYPVSRGI-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc2cccnc21 ZINC000616681364 400202000 /nfs/dbraw/zinc/20/20/00/400202000.db2.gz XEKYGMSYPVSRGI-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccnc2ccccc21 ZINC000616680016 400202099 /nfs/dbraw/zinc/20/20/99/400202099.db2.gz KKJPCSTUYQBBLL-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccnc2ccccc21 ZINC000616680016 400202105 /nfs/dbraw/zinc/20/21/05/400202105.db2.gz KKJPCSTUYQBBLL-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2ccncc2c1 ZINC000616691015 400205758 /nfs/dbraw/zinc/20/57/58/400205758.db2.gz BJRJAPOPORNXNW-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2ccncc2c1 ZINC000616691015 400205763 /nfs/dbraw/zinc/20/57/63/400205763.db2.gz BJRJAPOPORNXNW-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2cnccc21 ZINC000616693350 400206666 /nfs/dbraw/zinc/20/66/66/400206666.db2.gz YCWAOCURCCLGQR-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc2cnccc21 ZINC000616693350 400206670 /nfs/dbraw/zinc/20/66/70/400206670.db2.gz YCWAOCURCCLGQR-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP c1ccc2c(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)n[nH]c2c1 ZINC000589638191 400313672 /nfs/dbraw/zinc/31/36/72/400313672.db2.gz OAGDUGIAEMVQOR-UHFFFAOYSA-N 2 2 320.440 3.449 10 0 DGAELP Cc1cc(O)cc(C)c1[C@@H]([NH3+])[C@@H]([NH3+])c1c(C)cc(O)cc1C ZINC000038433291 400396276 /nfs/dbraw/zinc/39/62/76/400396276.db2.gz SVHKYZUWAQXTCN-HDICACEKSA-N 2 2 300.402 3.031 10 0 DGAELP CCC(CC)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591470096 400530472 /nfs/dbraw/zinc/53/04/72/400530472.db2.gz AJAXULHGOLWXLW-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CCC(CC)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591470096 400530478 /nfs/dbraw/zinc/53/04/78/400530478.db2.gz AJAXULHGOLWXLW-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CCC(CC)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000591470096 400530482 /nfs/dbraw/zinc/53/04/82/400530482.db2.gz AJAXULHGOLWXLW-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP CCC(CC)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000591470096 400530486 /nfs/dbraw/zinc/53/04/86/400530486.db2.gz AJAXULHGOLWXLW-IBGZPJMESA-N 2 2 304.478 3.132 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623895455 401595546 /nfs/dbraw/zinc/59/55/46/401595546.db2.gz QYOAWKDGFKWRBO-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623895455 401595548 /nfs/dbraw/zinc/59/55/48/401595548.db2.gz QYOAWKDGFKWRBO-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000628227039 401553858 /nfs/dbraw/zinc/55/38/58/401553858.db2.gz OKJKBFPWKZVEOH-CQSZACIVSA-N 2 2 301.434 3.292 10 0 DGAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000628227039 401553860 /nfs/dbraw/zinc/55/38/60/401553860.db2.gz OKJKBFPWKZVEOH-CQSZACIVSA-N 2 2 301.434 3.292 10 0 DGAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000360984947 286569481 /nfs/dbraw/zinc/56/94/81/286569481.db2.gz SRQUZRVEDGLSJE-UHFFFAOYSA-N 2 2 315.417 3.018 10 0 DGAELP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000187754332 165103226 /nfs/dbraw/zinc/10/32/26/165103226.db2.gz HNGKPHBAUWNVFG-CQSZACIVSA-N 2 2 310.376 3.127 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000191978688 165277153 /nfs/dbraw/zinc/27/71/53/165277153.db2.gz IWCBEVSRESFMBP-UHFFFAOYSA-N 2 2 321.428 3.283 10 0 DGAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000193471143 165326710 /nfs/dbraw/zinc/32/67/10/165326710.db2.gz RNSLZXHKICOWMX-KRWDZBQOSA-N 2 2 312.461 3.254 10 0 DGAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000193471143 165326712 /nfs/dbraw/zinc/32/67/12/165326712.db2.gz RNSLZXHKICOWMX-KRWDZBQOSA-N 2 2 312.461 3.254 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC000190488991 432162081 /nfs/dbraw/zinc/16/20/81/432162081.db2.gz MLKHJIHAMQZCRL-QGZVFWFLSA-N 2 2 313.420 3.175 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC000190488991 432162084 /nfs/dbraw/zinc/16/20/84/432162084.db2.gz MLKHJIHAMQZCRL-QGZVFWFLSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000190488991 432162087 /nfs/dbraw/zinc/16/20/87/432162087.db2.gz MLKHJIHAMQZCRL-QGZVFWFLSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000190488991 432162093 /nfs/dbraw/zinc/16/20/93/432162093.db2.gz MLKHJIHAMQZCRL-QGZVFWFLSA-N 2 2 313.420 3.175 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246888501 432178694 /nfs/dbraw/zinc/17/86/94/432178694.db2.gz DNTJOHJTFYUCKF-WBVHZDCISA-N 2 2 308.853 3.028 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246888501 432178697 /nfs/dbraw/zinc/17/86/97/432178697.db2.gz DNTJOHJTFYUCKF-WBVHZDCISA-N 2 2 308.853 3.028 10 0 DGAELP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000246853175 432172900 /nfs/dbraw/zinc/17/29/00/432172900.db2.gz CHCVLKOTCNMGLZ-SWLSCSKDSA-N 2 2 320.462 3.020 10 0 DGAELP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000246853175 432172904 /nfs/dbraw/zinc/17/29/04/432172904.db2.gz CHCVLKOTCNMGLZ-SWLSCSKDSA-N 2 2 320.462 3.020 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182405139 432187602 /nfs/dbraw/zinc/18/76/02/432187602.db2.gz UNEMGNRFZKAOEB-QGZVFWFLSA-N 2 2 315.392 3.068 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182405139 432187604 /nfs/dbraw/zinc/18/76/04/432187604.db2.gz UNEMGNRFZKAOEB-QGZVFWFLSA-N 2 2 315.392 3.068 10 0 DGAELP Cc1csc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000130932752 196124181 /nfs/dbraw/zinc/12/41/81/196124181.db2.gz VEPJMVZGPIBMRJ-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1csc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000130932752 196124183 /nfs/dbraw/zinc/12/41/83/196124183.db2.gz VEPJMVZGPIBMRJ-CQSZACIVSA-N 2 2 302.447 3.089 10 0 DGAELP CC[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1nccn1C ZINC000182680088 432217240 /nfs/dbraw/zinc/21/72/40/432217240.db2.gz AFPPICXNRVTTMI-KRWDZBQOSA-N 2 2 304.482 3.115 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000346489915 264040872 /nfs/dbraw/zinc/04/08/72/264040872.db2.gz OCJUNLCKFCIJEV-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCCO1 ZINC000346489915 264040874 /nfs/dbraw/zinc/04/08/74/264040874.db2.gz OCJUNLCKFCIJEV-QXAKKESOSA-N 2 2 302.462 3.198 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000368098590 271134265 /nfs/dbraw/zinc/13/42/65/271134265.db2.gz BWCPKDUXLSJDDA-PXAZEXFGSA-N 2 2 306.413 3.416 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098590 271134269 /nfs/dbraw/zinc/13/42/69/271134269.db2.gz BWCPKDUXLSJDDA-PXAZEXFGSA-N 2 2 306.413 3.416 10 0 DGAELP C[C@@H]1CCCC[C@@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057632 432255071 /nfs/dbraw/zinc/25/50/71/432255071.db2.gz AMJHQJUPGKEIAS-QZTJIDSGSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057632 432255074 /nfs/dbraw/zinc/25/50/74/432255074.db2.gz AMJHQJUPGKEIAS-QZTJIDSGSA-N 2 2 318.509 3.106 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CCN(c3[nH]c4ccccc4[nH+]3)C1)CCCC2 ZINC000299739163 275076094 /nfs/dbraw/zinc/07/60/94/275076094.db2.gz LIDGTUMWEVHBRX-CYBMUJFWSA-N 2 2 307.401 3.090 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000247976072 432260190 /nfs/dbraw/zinc/26/01/90/432260190.db2.gz KYFGDEWAHOCVMC-XYJFISCASA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000247976072 432260195 /nfs/dbraw/zinc/26/01/95/432260195.db2.gz KYFGDEWAHOCVMC-XYJFISCASA-N 2 2 310.445 3.038 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091318847 277222063 /nfs/dbraw/zinc/22/20/63/277222063.db2.gz KURRMWVSXWVQPC-MJGOQNOKSA-N 2 2 320.477 3.093 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091318847 277222064 /nfs/dbraw/zinc/22/20/64/277222064.db2.gz KURRMWVSXWVQPC-MJGOQNOKSA-N 2 2 320.477 3.093 10 0 DGAELP Cc1cc(NCC[N@@H+](C)C2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112080201 431247938 /nfs/dbraw/zinc/24/79/38/431247938.db2.gz RWRAJEQOQCMHDR-UHFFFAOYSA-N 2 2 311.433 3.133 10 0 DGAELP Cc1cc(NCC[N@H+](C)C2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112080201 431247943 /nfs/dbraw/zinc/24/79/43/431247943.db2.gz RWRAJEQOQCMHDR-UHFFFAOYSA-N 2 2 311.433 3.133 10 0 DGAELP Cc1cccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)[nH+]1 ZINC000114184741 431375897 /nfs/dbraw/zinc/37/58/97/431375897.db2.gz CBOPVUUMLHEZAG-GJZGRUSLSA-N 2 2 312.417 3.011 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842326 431620387 /nfs/dbraw/zinc/62/03/87/431620387.db2.gz VHOABNZQJBHUEZ-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842326 431620397 /nfs/dbraw/zinc/62/03/97/431620397.db2.gz VHOABNZQJBHUEZ-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842326 431620404 /nfs/dbraw/zinc/62/04/04/431620404.db2.gz VHOABNZQJBHUEZ-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842326 431620411 /nfs/dbraw/zinc/62/04/11/431620411.db2.gz VHOABNZQJBHUEZ-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000121537289 431799941 /nfs/dbraw/zinc/79/99/41/431799941.db2.gz LFPAZEXAFMIXGS-AWEZNQCLSA-N 2 2 313.405 3.018 10 0 DGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000088686648 431858864 /nfs/dbraw/zinc/85/88/64/431858864.db2.gz OXOWHBCLQBDKHE-XIRDDKMYSA-N 2 2 318.461 3.227 10 0 DGAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000088686648 431858866 /nfs/dbraw/zinc/85/88/66/431858866.db2.gz OXOWHBCLQBDKHE-XIRDDKMYSA-N 2 2 318.461 3.227 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123414063 431864426 /nfs/dbraw/zinc/86/44/26/431864426.db2.gz RTEIQUOCISPGRT-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123414063 431864428 /nfs/dbraw/zinc/86/44/28/431864428.db2.gz RTEIQUOCISPGRT-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123414063 431864429 /nfs/dbraw/zinc/86/44/29/431864429.db2.gz RTEIQUOCISPGRT-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123414063 431864430 /nfs/dbraw/zinc/86/44/30/431864430.db2.gz RTEIQUOCISPGRT-CMPLNLGQSA-N 2 2 317.296 3.425 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091308038 431904317 /nfs/dbraw/zinc/90/43/17/431904317.db2.gz NKOQKJKGYKXXGC-XHDPSFHLSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091308038 431904318 /nfs/dbraw/zinc/90/43/18/431904318.db2.gz NKOQKJKGYKXXGC-XHDPSFHLSA-N 2 2 309.251 3.120 10 0 DGAELP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc[nH+]c3C(C)C)c2cc1C ZINC000151892077 432287130 /nfs/dbraw/zinc/28/71/30/432287130.db2.gz CAMFMTIMWFXXLH-HNNXBMFYSA-N 2 2 312.417 3.034 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)Cn3cc[nH+]c3C(C)C)c2cc1C ZINC000151891981 432287178 /nfs/dbraw/zinc/28/71/78/432287178.db2.gz CAMFMTIMWFXXLH-OAHLLOKOSA-N 2 2 312.417 3.034 10 0 DGAELP Clc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000173779275 432299666 /nfs/dbraw/zinc/29/96/66/432299666.db2.gz JBDXTFVIEANCIJ-ZDUSSCGKSA-N 2 2 302.809 3.064 10 0 DGAELP Clc1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000173779275 432299668 /nfs/dbraw/zinc/29/96/68/432299668.db2.gz JBDXTFVIEANCIJ-ZDUSSCGKSA-N 2 2 302.809 3.064 10 0 DGAELP CN(C)c1ccccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779554 432300166 /nfs/dbraw/zinc/30/01/66/432300166.db2.gz FLYGMLSZRYJHAU-INIZCTEOSA-N 2 2 310.445 3.082 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192166588 432339163 /nfs/dbraw/zinc/33/91/63/432339163.db2.gz LPAZGVWTSFGYQX-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192166588 432339166 /nfs/dbraw/zinc/33/91/66/432339166.db2.gz LPAZGVWTSFGYQX-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000183589234 432306231 /nfs/dbraw/zinc/30/62/31/432306231.db2.gz MQNRHYGNJGWRTP-LLVKDONJSA-N 2 2 321.412 3.244 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000183589234 432306238 /nfs/dbraw/zinc/30/62/38/432306238.db2.gz MQNRHYGNJGWRTP-LLVKDONJSA-N 2 2 321.412 3.244 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000183589234 432306242 /nfs/dbraw/zinc/30/62/42/432306242.db2.gz MQNRHYGNJGWRTP-LLVKDONJSA-N 2 2 321.412 3.244 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000183589234 432306244 /nfs/dbraw/zinc/30/62/44/432306244.db2.gz MQNRHYGNJGWRTP-LLVKDONJSA-N 2 2 321.412 3.244 10 0 DGAELP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000191823702 432307096 /nfs/dbraw/zinc/30/70/96/432307096.db2.gz GKHOAMZGDXPNGQ-INIZCTEOSA-N 3 2 300.450 3.255 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000153414973 432405825 /nfs/dbraw/zinc/40/58/25/432405825.db2.gz WVIKURNPRVLDNO-YCPHGPKFSA-N 2 2 316.474 3.099 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000153414973 432405829 /nfs/dbraw/zinc/40/58/29/432405829.db2.gz WVIKURNPRVLDNO-YCPHGPKFSA-N 2 2 316.474 3.099 10 0 DGAELP Cn1c2ccc(Cl)cc2[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000184247155 432371003 /nfs/dbraw/zinc/37/10/03/432371003.db2.gz KWBMLIDVYCVZNS-UHFFFAOYSA-N 2 2 311.776 3.487 10 0 DGAELP C[N@H+](Cc1ccc(OCc2ccccc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000261557011 432430041 /nfs/dbraw/zinc/43/00/41/432430041.db2.gz WQLBPYZQRLDSPC-FQEVSTJZSA-N 2 2 310.441 3.435 10 0 DGAELP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000261557011 432430046 /nfs/dbraw/zinc/43/00/46/432430046.db2.gz WQLBPYZQRLDSPC-FQEVSTJZSA-N 2 2 310.441 3.435 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnn1C ZINC000192936240 432431093 /nfs/dbraw/zinc/43/10/93/432431093.db2.gz GWOGGHMJUAIGDB-XYJFISCASA-N 2 2 312.461 3.124 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccnn1C ZINC000192936240 432431098 /nfs/dbraw/zinc/43/10/98/432431098.db2.gz GWOGGHMJUAIGDB-XYJFISCASA-N 2 2 312.461 3.124 10 0 DGAELP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261822027 432452753 /nfs/dbraw/zinc/45/27/53/432452753.db2.gz AUPRFPRWLCWKPZ-INIZCTEOSA-N 2 2 303.381 3.184 10 0 DGAELP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261822027 432452757 /nfs/dbraw/zinc/45/27/57/432452757.db2.gz AUPRFPRWLCWKPZ-INIZCTEOSA-N 2 2 303.381 3.184 10 0 DGAELP COc1ncccc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000193543267 432481402 /nfs/dbraw/zinc/48/14/02/432481402.db2.gz IJJCMMLGLINXRO-CQSZACIVSA-N 2 2 308.385 3.127 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000176361717 432514781 /nfs/dbraw/zinc/51/47/81/432514781.db2.gz HAQCFPXMKWYKMC-AWEZNQCLSA-N 2 2 304.463 3.356 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000176361717 432514784 /nfs/dbraw/zinc/51/47/84/432514784.db2.gz HAQCFPXMKWYKMC-AWEZNQCLSA-N 2 2 304.463 3.356 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000158561897 432649893 /nfs/dbraw/zinc/64/98/93/432649893.db2.gz BOXFTPHMXQWYPQ-GJYPPUQNSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cccnc1 ZINC000158561897 432649896 /nfs/dbraw/zinc/64/98/96/432649896.db2.gz BOXFTPHMXQWYPQ-GJYPPUQNSA-N 2 2 310.445 3.038 10 0 DGAELP CCC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccn1 ZINC000158602510 432651226 /nfs/dbraw/zinc/65/12/26/432651226.db2.gz AUDQSJQSEVDBHW-INIZCTEOSA-N 2 2 307.401 3.293 10 0 DGAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000187673337 432677119 /nfs/dbraw/zinc/67/71/19/432677119.db2.gz UNTGOUWMHDTSLY-MRXNPFEDSA-N 2 2 310.445 3.100 10 0 DGAELP COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000178754674 432773334 /nfs/dbraw/zinc/77/33/34/432773334.db2.gz KFYKIFMIIOJFBC-CQSZACIVSA-N 2 2 322.412 3.435 10 0 DGAELP CC1(C)[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]2CCCO[C@H]21 ZINC000245829005 432864444 /nfs/dbraw/zinc/86/44/44/432864444.db2.gz BIHVXBXQAWSBQW-FSPWUOQZSA-N 2 2 313.445 3.289 10 0 DGAELP CC1(C)[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@H]2CCCO[C@H]21 ZINC000245853249 432864896 /nfs/dbraw/zinc/86/48/96/432864896.db2.gz GQERNUMODHIOHB-KBAYOESNSA-N 2 2 311.429 3.166 10 0 DGAELP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000245895073 432868297 /nfs/dbraw/zinc/86/82/97/432868297.db2.gz SGULIFACVSSKRX-GOEBONIOSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000245895073 432868299 /nfs/dbraw/zinc/86/82/99/432868299.db2.gz SGULIFACVSSKRX-GOEBONIOSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000245895073 432868300 /nfs/dbraw/zinc/86/83/00/432868300.db2.gz SGULIFACVSSKRX-GOEBONIOSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000245895073 432868302 /nfs/dbraw/zinc/86/83/02/432868302.db2.gz SGULIFACVSSKRX-GOEBONIOSA-N 2 2 308.853 3.265 10 0 DGAELP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000245940925 432871498 /nfs/dbraw/zinc/87/14/98/432871498.db2.gz UJSJVXFVDVEVNW-MAUKXSAKSA-N 2 2 313.445 3.468 10 0 DGAELP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000245940925 432871499 /nfs/dbraw/zinc/87/14/99/432871499.db2.gz UJSJVXFVDVEVNW-MAUKXSAKSA-N 2 2 313.445 3.468 10 0 DGAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)n1C ZINC000419708934 433068025 /nfs/dbraw/zinc/06/80/25/433068025.db2.gz IOIHNBSNVJZJOF-AAEUAGOBSA-N 2 2 318.387 3.087 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCCC3CCOCC3)C2)cc1 ZINC000361432306 433170060 /nfs/dbraw/zinc/17/00/60/433170060.db2.gz LRAGHCBIILVLGK-FQEVSTJZSA-N 2 2 316.489 3.447 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCCC3CCOCC3)C2)cc1 ZINC000361432306 433170071 /nfs/dbraw/zinc/17/00/71/433170071.db2.gz LRAGHCBIILVLGK-FQEVSTJZSA-N 2 2 316.489 3.447 10 0 DGAELP c1cc(C[NH2+]C2(C3CCC3)CCC2)cc(C[NH+]2CCOCC2)c1 ZINC000420972219 433362849 /nfs/dbraw/zinc/36/28/49/433362849.db2.gz LMUASXZQJOOIFK-UHFFFAOYSA-N 2 2 314.473 3.331 10 0 DGAELP c1cc(-c2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)cs1 ZINC000368221531 293106496 /nfs/dbraw/zinc/10/64/96/293106496.db2.gz IKELQOFKIMAWQN-LLVKDONJSA-N 2 2 316.455 3.242 10 0 DGAELP c1cc(-c2nc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cs2)cs1 ZINC000368221531 293106497 /nfs/dbraw/zinc/10/64/97/293106497.db2.gz IKELQOFKIMAWQN-LLVKDONJSA-N 2 2 316.455 3.242 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000370080448 293154072 /nfs/dbraw/zinc/15/40/72/293154072.db2.gz IKMBQAGDPUQZDJ-QXCFHYIPSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000370080448 293154074 /nfs/dbraw/zinc/15/40/74/293154074.db2.gz IKMBQAGDPUQZDJ-QXCFHYIPSA-N 2 2 306.494 3.188 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCOC[C@H]3CC3CCC3)cc2)c[nH+]1 ZINC000339769602 433771435 /nfs/dbraw/zinc/77/14/35/433771435.db2.gz PFYQAPKRLZZYQX-LJQANCHMSA-N 2 2 311.429 3.263 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCOC[C@H]3CC3CCC3)cc2)c[nH+]1 ZINC000339769602 433771423 /nfs/dbraw/zinc/77/14/23/433771423.db2.gz PFYQAPKRLZZYQX-LJQANCHMSA-N 2 2 311.429 3.263 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000377415018 433878880 /nfs/dbraw/zinc/87/88/80/433878880.db2.gz WYSWNCATUAWSNR-GUYCJALGSA-N 2 2 309.413 3.303 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415018 433878885 /nfs/dbraw/zinc/87/88/85/433878885.db2.gz WYSWNCATUAWSNR-GUYCJALGSA-N 2 2 309.413 3.303 10 0 DGAELP c1csc(-c2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)c1 ZINC000377779981 433995476 /nfs/dbraw/zinc/99/54/76/433995476.db2.gz MXSQVAWNUQKOLQ-JTQLQIEISA-N 2 2 316.455 3.242 10 0 DGAELP c1csc(-c2nc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cs2)c1 ZINC000377779981 433995483 /nfs/dbraw/zinc/99/54/83/433995483.db2.gz MXSQVAWNUQKOLQ-JTQLQIEISA-N 2 2 316.455 3.242 10 0 DGAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414952703 293892602 /nfs/dbraw/zinc/89/26/02/293892602.db2.gz IRDYJQAJBRXDSJ-RNCFNFMXSA-N 2 2 317.658 3.190 10 0 DGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1Br ZINC000313304633 434125963 /nfs/dbraw/zinc/12/59/63/434125963.db2.gz RDVRTWJEEXEGPS-NSHDSACASA-N 2 2 308.223 3.076 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363866673 434170265 /nfs/dbraw/zinc/17/02/65/434170265.db2.gz QMOSNAQCEAYTKP-AYBZRNKSSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866673 434170271 /nfs/dbraw/zinc/17/02/71/434170271.db2.gz QMOSNAQCEAYTKP-AYBZRNKSSA-N 2 2 324.472 3.346 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385998 434283319 /nfs/dbraw/zinc/28/33/19/434283319.db2.gz WQGMMMWMLJLMDP-WFASDCNBSA-N 2 2 311.267 3.064 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328385998 434283324 /nfs/dbraw/zinc/28/33/24/434283324.db2.gz WQGMMMWMLJLMDP-WFASDCNBSA-N 2 2 311.267 3.064 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000358174766 434367061 /nfs/dbraw/zinc/36/70/61/434367061.db2.gz ZGMNDDINERWPNH-UHFFFAOYSA-N 2 2 324.428 3.011 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000358174766 434367070 /nfs/dbraw/zinc/36/70/70/434367070.db2.gz ZGMNDDINERWPNH-UHFFFAOYSA-N 2 2 324.428 3.011 10 0 DGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295465157 434374543 /nfs/dbraw/zinc/37/45/43/434374543.db2.gz RCLKYMYBGJRTHQ-FUHWJXTLSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295465157 434374552 /nfs/dbraw/zinc/37/45/52/434374552.db2.gz RCLKYMYBGJRTHQ-FUHWJXTLSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000358139437 434345416 /nfs/dbraw/zinc/34/54/16/434345416.db2.gz NROHJIGTJQZLEL-UHFFFAOYSA-N 2 2 310.445 3.127 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000358139437 434345435 /nfs/dbraw/zinc/34/54/35/434345435.db2.gz NROHJIGTJQZLEL-UHFFFAOYSA-N 2 2 310.445 3.127 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000389222009 434347844 /nfs/dbraw/zinc/34/78/44/434347844.db2.gz FTRKEBZMCLDXDL-ONGXEEELSA-N 2 2 315.280 3.182 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000389222009 434347855 /nfs/dbraw/zinc/34/78/55/434347855.db2.gz FTRKEBZMCLDXDL-ONGXEEELSA-N 2 2 315.280 3.182 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923056 434446944 /nfs/dbraw/zinc/44/69/44/434446944.db2.gz PJKVFQWIEYVVBM-SLFFLAALSA-N 3 2 315.505 3.148 10 0 DGAELP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923056 434446949 /nfs/dbraw/zinc/44/69/49/434446949.db2.gz PJKVFQWIEYVVBM-SLFFLAALSA-N 3 2 315.505 3.148 10 0 DGAELP c1nc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000573802284 434927010 /nfs/dbraw/zinc/92/70/10/434927010.db2.gz GYQVYHMPHMLUDU-SFHVURJKSA-N 2 2 313.470 3.386 10 0 DGAELP c1nc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)sc1-c1ccccc1 ZINC000573802284 434927013 /nfs/dbraw/zinc/92/70/13/434927013.db2.gz GYQVYHMPHMLUDU-SFHVURJKSA-N 2 2 313.470 3.386 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466407197 435076819 /nfs/dbraw/zinc/07/68/19/435076819.db2.gz AIDBTZDDWJHHLR-VBYALHQYSA-N 2 2 316.489 3.300 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466407197 435076823 /nfs/dbraw/zinc/07/68/23/435076823.db2.gz AIDBTZDDWJHHLR-VBYALHQYSA-N 2 2 316.489 3.300 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062424 435201828 /nfs/dbraw/zinc/20/18/28/435201828.db2.gz ZDJUOAANZAYAEV-HOJAQTOUSA-N 3 2 317.521 3.121 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062424 435201829 /nfs/dbraw/zinc/20/18/29/435201829.db2.gz ZDJUOAANZAYAEV-HOJAQTOUSA-N 3 2 317.521 3.121 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062427 435201976 /nfs/dbraw/zinc/20/19/76/435201976.db2.gz ZDJUOAANZAYAEV-SXLOBPIMSA-N 3 2 317.521 3.121 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062427 435201977 /nfs/dbraw/zinc/20/19/77/435201977.db2.gz ZDJUOAANZAYAEV-SXLOBPIMSA-N 3 2 317.521 3.121 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480304088 435372936 /nfs/dbraw/zinc/37/29/36/435372936.db2.gz AUVUOJVLDQCHOE-UHFFFAOYSA-N 2 2 300.446 3.217 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480304088 435372940 /nfs/dbraw/zinc/37/29/40/435372940.db2.gz AUVUOJVLDQCHOE-UHFFFAOYSA-N 2 2 300.446 3.217 10 0 DGAELP c1csc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000520795555 435772840 /nfs/dbraw/zinc/77/28/40/435772840.db2.gz JBLDQRNGKXOHPI-PBHICJAKSA-N 2 2 324.453 3.297 10 0 DGAELP c1csc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000520795555 435772849 /nfs/dbraw/zinc/77/28/49/435772849.db2.gz JBLDQRNGKXOHPI-PBHICJAKSA-N 2 2 324.453 3.297 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH]c1C ZINC000657432787 436197279 /nfs/dbraw/zinc/19/72/79/436197279.db2.gz KECJDRFUVBMVNP-CEXWTWQISA-N 2 2 324.472 3.027 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH]c1C ZINC000657432787 436197284 /nfs/dbraw/zinc/19/72/84/436197284.db2.gz KECJDRFUVBMVNP-CEXWTWQISA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH+]c1C ZINC000657432787 436197289 /nfs/dbraw/zinc/19/72/89/436197289.db2.gz KECJDRFUVBMVNP-CEXWTWQISA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]c1C ZINC000657432787 436197295 /nfs/dbraw/zinc/19/72/95/436197295.db2.gz KECJDRFUVBMVNP-CEXWTWQISA-N 2 2 324.472 3.027 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091141 315311317 /nfs/dbraw/zinc/31/13/17/315311317.db2.gz STPVNNRMTKKVRZ-DFQSSKMNSA-N 3 2 315.505 3.019 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091141 315311319 /nfs/dbraw/zinc/31/13/19/315311319.db2.gz STPVNNRMTKKVRZ-DFQSSKMNSA-N 3 2 315.505 3.019 10 0 DGAELP c1sc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1-c1ccccc1 ZINC000566230399 315324689 /nfs/dbraw/zinc/32/46/89/315324689.db2.gz NQYJBSRCNVKZCA-SFHVURJKSA-N 2 2 313.470 3.386 10 0 DGAELP c1sc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc1-c1ccccc1 ZINC000566230399 315324690 /nfs/dbraw/zinc/32/46/90/315324690.db2.gz NQYJBSRCNVKZCA-SFHVURJKSA-N 2 2 313.470 3.386 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000163307848 523833535 /nfs/dbraw/zinc/83/35/35/523833535.db2.gz SKBPLXPAQPZATM-RYUDHWBXSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000163307848 523833543 /nfs/dbraw/zinc/83/35/43/523833543.db2.gz SKBPLXPAQPZATM-RYUDHWBXSA-N 2 2 302.871 3.163 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCO1 ZINC000328648983 534813291 /nfs/dbraw/zinc/81/32/91/534813291.db2.gz UVIPGKOXCNNBEM-LHHMISFZSA-N 2 2 303.450 3.199 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527283 525385981 /nfs/dbraw/zinc/38/59/81/525385981.db2.gz WLADQPCXVDTTRT-RYUDHWBXSA-N 2 2 302.340 3.330 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527283 525385987 /nfs/dbraw/zinc/38/59/87/525385987.db2.gz WLADQPCXVDTTRT-RYUDHWBXSA-N 2 2 302.340 3.330 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000471824810 536706114 /nfs/dbraw/zinc/70/61/14/536706114.db2.gz UPGZMWXNUKBWGH-DSLXNQLJSA-N 2 2 302.462 3.054 10 0 DGAELP CO[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000471824810 536706117 /nfs/dbraw/zinc/70/61/17/536706117.db2.gz UPGZMWXNUKBWGH-DSLXNQLJSA-N 2 2 302.462 3.054 10 0 DGAELP CC(C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCCC1 ZINC000157626912 546041877 /nfs/dbraw/zinc/04/18/77/546041877.db2.gz ZFLXXENCGBIQLU-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCCC1 ZINC000157626912 546041881 /nfs/dbraw/zinc/04/18/81/546041881.db2.gz ZFLXXENCGBIQLU-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000157626912 546041884 /nfs/dbraw/zinc/04/18/84/546041884.db2.gz ZFLXXENCGBIQLU-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CC(C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000157626912 546041890 /nfs/dbraw/zinc/04/18/90/546041890.db2.gz ZFLXXENCGBIQLU-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188403704 546205271 /nfs/dbraw/zinc/20/52/71/546205271.db2.gz WMABVWUYQNQOLR-KRWDZBQOSA-N 2 2 311.429 3.261 10 0 DGAELP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc2O1 ZINC000188403704 546205276 /nfs/dbraw/zinc/20/52/76/546205276.db2.gz WMABVWUYQNQOLR-KRWDZBQOSA-N 2 2 311.429 3.261 10 0 DGAELP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381072116 546737196 /nfs/dbraw/zinc/73/71/96/546737196.db2.gz PQSBYBLFHQJMGL-IRXDYDNUSA-N 2 2 312.457 3.433 10 0 DGAELP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381072116 546737203 /nfs/dbraw/zinc/73/72/03/546737203.db2.gz PQSBYBLFHQJMGL-IRXDYDNUSA-N 2 2 312.457 3.433 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128638377 625059916 /nfs/dbraw/zinc/05/99/16/625059916.db2.gz WPBQAXKMXNSCGX-ZDUSSCGKSA-N 2 2 303.837 3.272 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000128638377 625059920 /nfs/dbraw/zinc/05/99/20/625059920.db2.gz WPBQAXKMXNSCGX-ZDUSSCGKSA-N 2 2 303.837 3.272 10 0 DGAELP CCn1ccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716699229 661227601 /nfs/dbraw/zinc/22/76/01/661227601.db2.gz LQRVPIQIJXJPIR-FHWLQOOXSA-N 2 2 324.472 3.046 10 0 DGAELP CCn1ccnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716699229 661227602 /nfs/dbraw/zinc/22/76/02/661227602.db2.gz LQRVPIQIJXJPIR-FHWLQOOXSA-N 2 2 324.472 3.046 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363710 661284955 /nfs/dbraw/zinc/28/49/55/661284955.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000187363710 661284956 /nfs/dbraw/zinc/28/49/56/661284956.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363710 661284959 /nfs/dbraw/zinc/28/49/59/661284959.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363710 661284961 /nfs/dbraw/zinc/28/49/61/661284961.db2.gz NMWMEXQCMLHMHH-WCQYABFASA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261822001 657116219 /nfs/dbraw/zinc/11/62/19/657116219.db2.gz ARSMFEKALDIILY-RVKKMQEKSA-N 2 2 304.478 3.402 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC[N@@H+]1Cc1ccccc1 ZINC000353671907 660017348 /nfs/dbraw/zinc/01/73/48/660017348.db2.gz MJBREAJKXRTDDG-UYAOXDASSA-N 2 2 324.472 3.431 10 0 DGAELP C[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCC[N@H+]1Cc1ccccc1 ZINC000353671907 660017349 /nfs/dbraw/zinc/01/73/49/660017349.db2.gz MJBREAJKXRTDDG-UYAOXDASSA-N 2 2 324.472 3.431 10 0 DGAELP CCCn1cncc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379631992 1176800384 /nfs/dbraw/zinc/80/03/84/1176800384.db2.gz MSAVWLXIPPZEFW-KRWDZBQOSA-N 2 2 314.477 3.293 10 0 DGAELP CCCn1cncc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379631992 1176800394 /nfs/dbraw/zinc/80/03/94/1176800394.db2.gz MSAVWLXIPPZEFW-KRWDZBQOSA-N 2 2 314.477 3.293 10 0 DGAELP c1cn(-c2ccccc2)nc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000091059309 1198339450 /nfs/dbraw/zinc/33/94/50/1198339450.db2.gz MJBQTDORZCOBTK-UHFFFAOYSA-N 2 2 321.428 3.249 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000237087634 1202646256 /nfs/dbraw/zinc/64/62/56/1202646256.db2.gz RZGCMNCGNDWWAL-IBGZPJMESA-N 2 2 310.441 3.449 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000237087634 1202646257 /nfs/dbraw/zinc/64/62/57/1202646257.db2.gz RZGCMNCGNDWWAL-IBGZPJMESA-N 2 2 310.441 3.449 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261559210 1204020606 /nfs/dbraw/zinc/02/06/06/1204020606.db2.gz DPLSNDVQXPFKMT-MRVWCRGKSA-N 2 2 309.251 3.051 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261559210 1204020607 /nfs/dbraw/zinc/02/06/07/1204020607.db2.gz DPLSNDVQXPFKMT-MRVWCRGKSA-N 2 2 309.251 3.051 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261559209 1204020619 /nfs/dbraw/zinc/02/06/19/1204020619.db2.gz DPLSNDVQXPFKMT-KWCYVHTRSA-N 2 2 309.251 3.051 10 0 DGAELP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261559209 1204020620 /nfs/dbraw/zinc/02/06/20/1204020620.db2.gz DPLSNDVQXPFKMT-KWCYVHTRSA-N 2 2 309.251 3.051 10 0 DGAELP CCc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302112818 529533739 /nfs/dbraw/zinc/53/37/39/529533739.db2.gz UZNZYSGYELOPRV-SFHVURJKSA-N 2 2 310.445 3.106 10 0 DGAELP CCc1[nH+]c(-c2ccc(F)cc2)nc(N2CCC([NH3+])CC2)c1C ZINC000073663238 191338659 /nfs/dbraw/zinc/33/86/59/191338659.db2.gz VXRGZGONYHBNCD-UHFFFAOYSA-N 2 2 314.408 3.081 10 0 DGAELP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180614781 199184950 /nfs/dbraw/zinc/18/49/50/199184950.db2.gz UJSJVXFVDVEVNW-QAPCUYQASA-N 2 2 313.445 3.468 10 0 DGAELP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000180614781 199184953 /nfs/dbraw/zinc/18/49/53/199184953.db2.gz UJSJVXFVDVEVNW-QAPCUYQASA-N 2 2 313.445 3.468 10 0 DGAELP c1cn(-c2csc(CN3CC[NH2+]C[C@H]3c3ccccc3)c2)c[nH+]1 ZINC000415133343 237104607 /nfs/dbraw/zinc/10/46/07/237104607.db2.gz VBWLJQPRQIOVOK-SFHVURJKSA-N 2 2 324.453 3.080 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424331 432086137 /nfs/dbraw/zinc/08/61/37/432086137.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424331 432086140 /nfs/dbraw/zinc/08/61/40/432086140.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424331 432086143 /nfs/dbraw/zinc/08/61/43/432086143.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 2 318.490 3.063 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CC[NH+]1C ZINC000180424331 432086145 /nfs/dbraw/zinc/08/61/45/432086145.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 2 318.490 3.063 10 0 DGAELP COc1cccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000189890549 432102347 /nfs/dbraw/zinc/10/23/47/432102347.db2.gz HRLHMJQBPWVXTP-CQSZACIVSA-N 2 2 308.385 3.127 10 0 DGAELP C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915331 432104567 /nfs/dbraw/zinc/10/45/67/432104567.db2.gz CFWQAWJPMZRSIA-QGZVFWFLSA-N 2 2 312.461 3.255 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCSC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000449528739 240268446 /nfs/dbraw/zinc/26/84/46/240268446.db2.gz ROYLYTQHOKCKNL-OAHLLOKOSA-N 2 2 305.472 3.261 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCSC[C@@H]3C3CC3)c2)c[nH+]1 ZINC000449528739 240268448 /nfs/dbraw/zinc/26/84/48/240268448.db2.gz ROYLYTQHOKCKNL-OAHLLOKOSA-N 2 2 305.472 3.261 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091318854 193038937 /nfs/dbraw/zinc/03/89/37/193038937.db2.gz UDTKFAJOUZBEBV-MOPGFXCFSA-N 2 2 302.462 3.147 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091318854 193038939 /nfs/dbraw/zinc/03/89/39/193038939.db2.gz UDTKFAJOUZBEBV-MOPGFXCFSA-N 2 2 302.462 3.147 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246405133 432126680 /nfs/dbraw/zinc/12/66/80/432126680.db2.gz LYNCYRSHKZQWTN-JTDSTZFVSA-N 2 2 320.477 3.091 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246405133 432126691 /nfs/dbraw/zinc/12/66/91/432126691.db2.gz LYNCYRSHKZQWTN-JTDSTZFVSA-N 2 2 320.477 3.091 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019946487 182168498 /nfs/dbraw/zinc/16/84/98/182168498.db2.gz NITWHDMVYNCARB-XHDPSFHLSA-N 2 2 309.251 3.194 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000494375704 246140690 /nfs/dbraw/zinc/14/06/90/246140690.db2.gz QZDVDWGMVGPTBU-SFHVURJKSA-N 2 2 304.478 3.303 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000494375704 246140697 /nfs/dbraw/zinc/14/06/97/246140697.db2.gz QZDVDWGMVGPTBU-SFHVURJKSA-N 2 2 304.478 3.303 10 0 DGAELP Cc1cnn(CCCCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246499652 432137999 /nfs/dbraw/zinc/13/79/99/432137999.db2.gz HKYXFLJCXTWBRH-MSOLQXFVSA-N 2 2 315.465 3.141 10 0 DGAELP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246499652 432138002 /nfs/dbraw/zinc/13/80/02/432138002.db2.gz HKYXFLJCXTWBRH-MSOLQXFVSA-N 2 2 315.465 3.141 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000246527265 432140233 /nfs/dbraw/zinc/14/02/33/432140233.db2.gz VBAFHNZBZZJDKX-ZFWWWQNUSA-N 2 2 316.474 3.025 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)[C@@H](C)C1 ZINC000246527265 432140239 /nfs/dbraw/zinc/14/02/39/432140239.db2.gz VBAFHNZBZZJDKX-ZFWWWQNUSA-N 2 2 316.474 3.025 10 0 DGAELP [NH3+]CC[N@H+](Cc1cc(Br)ccc1F)C1CCCC1 ZINC000042428113 183269101 /nfs/dbraw/zinc/26/91/01/183269101.db2.gz QZYVEKYCABFFQZ-UHFFFAOYSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[N@@H+](Cc1cc(Br)ccc1F)C1CCCC1 ZINC000042428113 183269104 /nfs/dbraw/zinc/26/91/04/183269104.db2.gz QZYVEKYCABFFQZ-UHFFFAOYSA-N 2 2 315.230 3.292 10 0 DGAELP c1ccc(CC[N@@H+]2CC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000110537928 194338271 /nfs/dbraw/zinc/33/82/71/194338271.db2.gz YRHLSYWDZUPDPK-QGZVFWFLSA-N 2 2 322.456 3.331 10 0 DGAELP c1ccc(CC[N@H+]2CC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000110537928 194338273 /nfs/dbraw/zinc/33/82/73/194338273.db2.gz YRHLSYWDZUPDPK-QGZVFWFLSA-N 2 2 322.456 3.331 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000119668717 195013300 /nfs/dbraw/zinc/01/33/00/195013300.db2.gz CAMAEQXVWAHNTH-WDSOQIARSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000119668717 195013302 /nfs/dbraw/zinc/01/33/02/195013302.db2.gz CAMAEQXVWAHNTH-WDSOQIARSA-N 2 2 302.462 3.056 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000338416805 253284912 /nfs/dbraw/zinc/28/49/12/253284912.db2.gz LCIPZGWXFNMUMY-SJLPKXTDSA-N 2 2 312.461 3.078 10 0 DGAELP CCN(Cc1[nH+]ccn1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000338416805 253284915 /nfs/dbraw/zinc/28/49/15/253284915.db2.gz LCIPZGWXFNMUMY-SJLPKXTDSA-N 2 2 312.461 3.078 10 0 DGAELP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000343504072 254152718 /nfs/dbraw/zinc/15/27/18/254152718.db2.gz CWIGWFJFQGCXSQ-PIKOESSRSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000343504072 254152719 /nfs/dbraw/zinc/15/27/19/254152719.db2.gz CWIGWFJFQGCXSQ-PIKOESSRSA-N 2 2 316.489 3.444 10 0 DGAELP c1csc(CCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000344207065 254239109 /nfs/dbraw/zinc/23/91/09/254239109.db2.gz IDORSSBZTOKJOR-UHFFFAOYSA-N 2 2 304.444 3.113 10 0 DGAELP c1cn(CCC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c[nH+]1 ZINC000287323287 285240162 /nfs/dbraw/zinc/24/01/62/285240162.db2.gz KCAOGOZVEQLZJN-OAHLLOKOSA-N 2 2 315.421 3.151 10 0 DGAELP c1cn(CCC[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c[nH+]1 ZINC000287323287 285240163 /nfs/dbraw/zinc/24/01/63/285240163.db2.gz KCAOGOZVEQLZJN-OAHLLOKOSA-N 2 2 315.421 3.151 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127730860 195905261 /nfs/dbraw/zinc/90/52/61/195905261.db2.gz GJCYFIMKFUBADW-UHFFFAOYSA-N 2 2 324.472 3.445 10 0 DGAELP C[C@@H](c1noc(-c2ccccc2)n1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000357615285 285805297 /nfs/dbraw/zinc/80/52/97/285805297.db2.gz CVQMCDVOUUHQLG-ZDUSSCGKSA-N 2 2 323.400 3.400 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2ncccc2c1 ZINC000616693320 400206900 /nfs/dbraw/zinc/20/69/00/400206900.db2.gz WZBZQQUBHFWFJK-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2ncccc2c1 ZINC000616693320 400206907 /nfs/dbraw/zinc/20/69/07/400206907.db2.gz WZBZQQUBHFWFJK-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP Clc1cc(Cl)cc(NCC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000139195295 400604584 /nfs/dbraw/zinc/60/45/84/400604584.db2.gz RHXNPRUEPKZKOR-OAHLLOKOSA-N 2 2 314.260 3.089 10 0 DGAELP O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000603882703 400728924 /nfs/dbraw/zinc/72/89/24/400728924.db2.gz VZMOLYSFYTXWOF-UHFFFAOYSA-N 2 2 320.396 3.182 10 0 DGAELP c1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n(CC2CCC2)n1 ZINC000631052312 401379086 /nfs/dbraw/zinc/37/90/86/401379086.db2.gz OJYGICRHOVYWSW-UHFFFAOYSA-N 2 2 323.444 3.282 10 0 DGAELP C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@H]1C[NH3+] ZINC000634998377 401398667 /nfs/dbraw/zinc/39/86/67/401398667.db2.gz DYXWRSZALQJLQE-JGVFFNPUSA-N 2 2 323.687 3.191 10 0 DGAELP C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@H]1C[NH3+] ZINC000634998377 401398669 /nfs/dbraw/zinc/39/86/69/401398669.db2.gz DYXWRSZALQJLQE-JGVFFNPUSA-N 2 2 323.687 3.191 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)c2)c[nH+]1 ZINC000631254151 401438657 /nfs/dbraw/zinc/43/86/57/401438657.db2.gz JVWBVRDRUWJXMD-IRXDYDNUSA-N 2 2 317.458 3.371 10 0 DGAELP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000623657167 401563855 /nfs/dbraw/zinc/56/38/55/401563855.db2.gz KSWSSSJCIAKNFV-LLVKDONJSA-N 2 2 317.296 3.332 10 0 DGAELP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000623657167 401563858 /nfs/dbraw/zinc/56/38/58/401563858.db2.gz KSWSSSJCIAKNFV-LLVKDONJSA-N 2 2 317.296 3.332 10 0 DGAELP c1cc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)cs1 ZINC000631888096 401564096 /nfs/dbraw/zinc/56/40/96/401564096.db2.gz UFKRSUHEEIPZKM-DOMZBBRYSA-N 2 2 319.499 3.446 10 0 DGAELP c1cc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cs2)cs1 ZINC000631888096 401564099 /nfs/dbraw/zinc/56/40/99/401564099.db2.gz UFKRSUHEEIPZKM-DOMZBBRYSA-N 2 2 319.499 3.446 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000361839281 286732996 /nfs/dbraw/zinc/73/29/96/286732996.db2.gz HQHOXWQKULKMIV-UHFFFAOYSA-N 3 2 321.428 3.283 10 0 DGAELP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000361839281 286732998 /nfs/dbraw/zinc/73/29/98/286732998.db2.gz HQHOXWQKULKMIV-UHFFFAOYSA-N 2 2 321.428 3.283 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342452 165244240 /nfs/dbraw/zinc/24/42/40/165244240.db2.gz QQAQWCGREIZIHA-IAGOWNOFSA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342452 165244245 /nfs/dbraw/zinc/24/42/45/165244245.db2.gz QQAQWCGREIZIHA-IAGOWNOFSA-N 2 2 305.466 3.024 10 0 DGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192122487 165283830 /nfs/dbraw/zinc/28/38/30/165283830.db2.gz QFMZCTSGBUQNPS-UHFFFAOYSA-N 3 2 323.444 3.208 10 0 DGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192122487 165283833 /nfs/dbraw/zinc/28/38/33/165283833.db2.gz QFMZCTSGBUQNPS-UHFFFAOYSA-N 3 2 323.444 3.208 10 0 DGAELP COc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1F ZINC000192951282 165312370 /nfs/dbraw/zinc/31/23/70/165312370.db2.gz SRDWIQSIDPVONJ-UHFFFAOYSA-N 2 2 317.408 3.023 10 0 DGAELP c1cn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000131949587 196212520 /nfs/dbraw/zinc/21/25/20/196212520.db2.gz CGGUFTBMBNGWCF-KRWDZBQOSA-N 2 2 321.428 3.153 10 0 DGAELP c1cn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH+]1 ZINC000131949587 196212521 /nfs/dbraw/zinc/21/25/21/196212521.db2.gz CGGUFTBMBNGWCF-KRWDZBQOSA-N 2 2 321.428 3.153 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132717930 196278200 /nfs/dbraw/zinc/27/82/00/196278200.db2.gz UZVVVHRNRHBSRD-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132717930 196278201 /nfs/dbraw/zinc/27/82/01/196278201.db2.gz UZVVVHRNRHBSRD-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000132717930 196278203 /nfs/dbraw/zinc/27/82/03/196278203.db2.gz UZVVVHRNRHBSRD-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000132717930 196278204 /nfs/dbraw/zinc/27/82/04/196278204.db2.gz UZVVVHRNRHBSRD-KGLIPLIRSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000132972985 196301360 /nfs/dbraw/zinc/30/13/60/196301360.db2.gz AZDLPDNOGOJXQP-MRXNPFEDSA-N 2 2 306.413 3.236 10 0 DGAELP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)no1 ZINC000347094341 264155439 /nfs/dbraw/zinc/15/54/39/264155439.db2.gz JNCRXWJJQIUZOY-JLYLLQBASA-N 2 2 311.429 3.268 10 0 DGAELP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)no1 ZINC000347094341 264155440 /nfs/dbraw/zinc/15/54/40/264155440.db2.gz JNCRXWJJQIUZOY-JLYLLQBASA-N 2 2 311.429 3.268 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000347486533 264228444 /nfs/dbraw/zinc/22/84/44/264228444.db2.gz PGBCNTQRWBMGGZ-SFHVURJKSA-N 2 2 304.478 3.446 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCCCO1 ZINC000347486533 264228446 /nfs/dbraw/zinc/22/84/46/264228446.db2.gz PGBCNTQRWBMGGZ-SFHVURJKSA-N 2 2 304.478 3.446 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244097 266014579 /nfs/dbraw/zinc/01/45/79/266014579.db2.gz XWIMOGFRDOOXDQ-ROUUACIJSA-N 2 2 311.429 3.121 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244097 266014582 /nfs/dbraw/zinc/01/45/82/266014582.db2.gz XWIMOGFRDOOXDQ-ROUUACIJSA-N 2 2 311.429 3.121 10 0 DGAELP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151271794 432235302 /nfs/dbraw/zinc/23/53/02/432235302.db2.gz IUWVPHGKAURIBR-HZPDHXFCSA-N 2 2 316.445 3.239 10 0 DGAELP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151309430 432235831 /nfs/dbraw/zinc/23/58/31/432235831.db2.gz DPACBYZWCPDLKB-CVEARBPZSA-N 2 2 310.507 3.272 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000247880332 432251748 /nfs/dbraw/zinc/25/17/48/432251748.db2.gz BOXFTPHMXQWYPQ-TXPKVOOTSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cccnc1 ZINC000247880332 432251751 /nfs/dbraw/zinc/25/17/51/432251751.db2.gz BOXFTPHMXQWYPQ-TXPKVOOTSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000247944223 432253992 /nfs/dbraw/zinc/25/39/92/432253992.db2.gz GYHCYACKEKEKCU-VQIMIIECSA-N 2 2 301.478 3.462 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC000247944223 432253995 /nfs/dbraw/zinc/25/39/95/432253995.db2.gz GYHCYACKEKEKCU-VQIMIIECSA-N 2 2 301.478 3.462 10 0 DGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCSCC1 ZINC000187006018 274244456 /nfs/dbraw/zinc/24/44/56/274244456.db2.gz LDAVHHFHLCICSV-CQSZACIVSA-N 2 2 305.491 3.172 10 0 DGAELP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917700 431851685 /nfs/dbraw/zinc/85/16/85/431851685.db2.gz FYSGEGGJUPKGDQ-BBRMVZONSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917700 431851688 /nfs/dbraw/zinc/85/16/88/431851688.db2.gz FYSGEGGJUPKGDQ-BBRMVZONSA-N 2 2 308.853 3.313 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123318160 431861423 /nfs/dbraw/zinc/86/14/23/431861423.db2.gz BYELZIVVEDMYKO-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123318160 431861426 /nfs/dbraw/zinc/86/14/26/431861426.db2.gz BYELZIVVEDMYKO-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123318160 431861429 /nfs/dbraw/zinc/86/14/29/431861429.db2.gz BYELZIVVEDMYKO-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123318160 431861431 /nfs/dbraw/zinc/86/14/31/431861431.db2.gz BYELZIVVEDMYKO-CRAIPNDOSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123422902 431865069 /nfs/dbraw/zinc/86/50/69/431865069.db2.gz OLVVRFAVMLMHCU-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123422902 431865071 /nfs/dbraw/zinc/86/50/71/431865071.db2.gz OLVVRFAVMLMHCU-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123422902 431865072 /nfs/dbraw/zinc/86/50/72/431865072.db2.gz OLVVRFAVMLMHCU-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123422902 431865074 /nfs/dbraw/zinc/86/50/74/431865074.db2.gz OLVVRFAVMLMHCU-MAUKXSAKSA-N 2 2 317.477 3.163 10 0 DGAELP CCCc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000047972599 431917538 /nfs/dbraw/zinc/91/75/38/431917538.db2.gz TULVXRQJHSBKML-UHFFFAOYSA-N 2 2 307.507 3.403 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958523 431879691 /nfs/dbraw/zinc/87/96/91/431879691.db2.gz WQMRHLDCXPDITO-OCCSQVGLSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958523 431879693 /nfs/dbraw/zinc/87/96/93/431879693.db2.gz WQMRHLDCXPDITO-OCCSQVGLSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958523 431879695 /nfs/dbraw/zinc/87/96/95/431879695.db2.gz WQMRHLDCXPDITO-OCCSQVGLSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2Br)CC[NH+]1C ZINC000123958523 431879697 /nfs/dbraw/zinc/87/96/97/431879697.db2.gz WQMRHLDCXPDITO-OCCSQVGLSA-N 2 2 311.267 3.364 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995728 431880140 /nfs/dbraw/zinc/88/01/40/431880140.db2.gz YCAMOOADMDRDDW-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@H+]1C ZINC000123995728 431880142 /nfs/dbraw/zinc/88/01/42/431880142.db2.gz YCAMOOADMDRDDW-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995728 431880145 /nfs/dbraw/zinc/88/01/45/431880145.db2.gz YCAMOOADMDRDDW-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995728 431880146 /nfs/dbraw/zinc/88/01/46/431880146.db2.gz YCAMOOADMDRDDW-GUYCJALGSA-N 2 2 317.408 3.395 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062274 432265304 /nfs/dbraw/zinc/26/53/04/432265304.db2.gz LYXZAXWHVDQXFH-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062274 432265308 /nfs/dbraw/zinc/26/53/08/432265308.db2.gz LYXZAXWHVDQXFH-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062274 432265311 /nfs/dbraw/zinc/26/53/11/432265311.db2.gz LYXZAXWHVDQXFH-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062274 432265314 /nfs/dbraw/zinc/26/53/14/432265314.db2.gz LYXZAXWHVDQXFH-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000249057615 432336040 /nfs/dbraw/zinc/33/60/40/432336040.db2.gz XXDRLPQULXQGNC-MDZRGWNJSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000249057615 432336043 /nfs/dbraw/zinc/33/60/43/432336043.db2.gz XXDRLPQULXQGNC-MDZRGWNJSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000192517741 432384148 /nfs/dbraw/zinc/38/41/48/432384148.db2.gz ZZDKVQDLNYPQOY-NZSAHSFTSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000192517741 432384152 /nfs/dbraw/zinc/38/41/52/432384152.db2.gz ZZDKVQDLNYPQOY-NZSAHSFTSA-N 2 2 302.462 3.056 10 0 DGAELP CCOc1ccc(C(C)=O)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261742444 432446392 /nfs/dbraw/zinc/44/63/92/432446392.db2.gz OEPAXZGRQFMXRJ-JWTNVVGKSA-N 2 2 316.445 3.003 10 0 DGAELP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261742444 432446393 /nfs/dbraw/zinc/44/63/93/432446393.db2.gz OEPAXZGRQFMXRJ-JWTNVVGKSA-N 2 2 316.445 3.003 10 0 DGAELP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193115844 432450770 /nfs/dbraw/zinc/45/07/70/432450770.db2.gz QHSNRUFDXJDSDT-MAUKXSAKSA-N 2 2 315.417 3.066 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(Cl)(Cl)Cl ZINC000184601858 432410957 /nfs/dbraw/zinc/41/09/57/432410957.db2.gz VLHRZEUUIZBMAC-LLVKDONJSA-N 2 2 310.656 3.416 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(Cl)(Cl)Cl ZINC000184601858 432410961 /nfs/dbraw/zinc/41/09/61/432410961.db2.gz VLHRZEUUIZBMAC-LLVKDONJSA-N 2 2 310.656 3.416 10 0 DGAELP Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000192774763 432413181 /nfs/dbraw/zinc/41/31/81/432413181.db2.gz PCTPTMMUTALUSQ-KBPBESRZSA-N 2 2 323.400 3.088 10 0 DGAELP C[C@@]1(COc2cc[nH+]cc2)CCC[N@H+](Cc2ccncc2F)C1 ZINC000257174347 432416252 /nfs/dbraw/zinc/41/62/52/432416252.db2.gz FWRXRLFFFSXXDF-GOSISDBHSA-N 2 2 315.392 3.297 10 0 DGAELP C[C@@]1(COc2cc[nH+]cc2)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000257174347 432416254 /nfs/dbraw/zinc/41/62/54/432416254.db2.gz FWRXRLFFFSXXDF-GOSISDBHSA-N 2 2 315.392 3.297 10 0 DGAELP Cc1cc(Br)cc2c1C[N@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262029452 432469858 /nfs/dbraw/zinc/46/98/58/432469858.db2.gz NXTSOGYFIWXNTD-MRXNPFEDSA-N 2 2 323.278 3.115 10 0 DGAELP Cc1cc(Br)cc2c1C[N@@H+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000262029452 432469862 /nfs/dbraw/zinc/46/98/62/432469862.db2.gz NXTSOGYFIWXNTD-MRXNPFEDSA-N 2 2 323.278 3.115 10 0 DGAELP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733410 432572080 /nfs/dbraw/zinc/57/20/80/432572080.db2.gz JJPBSBKWOLPWRK-CQSZACIVSA-N 2 2 320.481 3.236 10 0 DGAELP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCC[NH+]1CCCC1 ZINC000153673866 288395073 /nfs/dbraw/zinc/39/50/73/288395073.db2.gz LMCJDFIJTYEBSL-AOIWGVFYSA-N 2 2 302.462 3.323 10 0 DGAELP C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCC[NH+]1CCCC1 ZINC000153673866 288395074 /nfs/dbraw/zinc/39/50/74/288395074.db2.gz LMCJDFIJTYEBSL-AOIWGVFYSA-N 2 2 302.462 3.323 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC000178325142 432719840 /nfs/dbraw/zinc/71/98/40/432719840.db2.gz YGSUTHIOKVNZCA-HNNXBMFYSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)F)c1 ZINC000178325142 432719844 /nfs/dbraw/zinc/71/98/44/432719844.db2.gz YGSUTHIOKVNZCA-HNNXBMFYSA-N 2 2 321.371 3.458 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@H+](CCCn3cc[nH+]c3)[C@@H](C)CO2)c1 ZINC000245920423 432870753 /nfs/dbraw/zinc/87/07/53/432870753.db2.gz XOLUSWKWPIXWKQ-HKUYNNGSSA-N 2 2 313.445 3.352 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)[C@@H](C)CO2)c1 ZINC000245920423 432870756 /nfs/dbraw/zinc/87/07/56/432870756.db2.gz XOLUSWKWPIXWKQ-HKUYNNGSSA-N 2 2 313.445 3.352 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000245566051 432845926 /nfs/dbraw/zinc/84/59/26/432845926.db2.gz SFWUWNBETQTETJ-QZTJIDSGSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cn1 ZINC000245566051 432845930 /nfs/dbraw/zinc/84/59/30/432845930.db2.gz SFWUWNBETQTETJ-QZTJIDSGSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cn1 ZINC000245566051 432845931 /nfs/dbraw/zinc/84/59/31/432845931.db2.gz SFWUWNBETQTETJ-QZTJIDSGSA-N 2 2 318.509 3.380 10 0 DGAELP CCCn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cn1 ZINC000245566051 432845934 /nfs/dbraw/zinc/84/59/34/432845934.db2.gz SFWUWNBETQTETJ-QZTJIDSGSA-N 2 2 318.509 3.380 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000341410989 433051249 /nfs/dbraw/zinc/05/12/49/433051249.db2.gz VTRIBYHTPFHVNY-IXDOHACOSA-N 2 2 303.450 3.069 10 0 DGAELP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000336704836 433179076 /nfs/dbraw/zinc/17/90/76/433179076.db2.gz HKYJFJQSRCPKMU-ZWKOTPCHSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000336704836 433179082 /nfs/dbraw/zinc/17/90/82/433179082.db2.gz HKYJFJQSRCPKMU-ZWKOTPCHSA-N 2 2 302.462 3.198 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000361865434 433430147 /nfs/dbraw/zinc/43/01/47/433430147.db2.gz NPIGKUUCHDGJRS-UHFFFAOYSA-N 2 2 313.445 3.356 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850566 433757139 /nfs/dbraw/zinc/75/71/39/433757139.db2.gz AXMUERYISBEYSC-ZBFHGGJFSA-N 2 2 321.428 3.280 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000301850566 433757149 /nfs/dbraw/zinc/75/71/49/433757149.db2.gz AXMUERYISBEYSC-ZBFHGGJFSA-N 2 2 321.428 3.280 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)C2 ZINC000377415019 433878725 /nfs/dbraw/zinc/87/87/25/433878725.db2.gz WYSWNCATUAWSNR-SUMWQHHRSA-N 2 2 309.413 3.303 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000377415019 433878739 /nfs/dbraw/zinc/87/87/39/433878739.db2.gz WYSWNCATUAWSNR-SUMWQHHRSA-N 2 2 309.413 3.303 10 0 DGAELP Brc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058272 433974827 /nfs/dbraw/zinc/97/48/27/433974827.db2.gz VHZIDBGEHUOBJZ-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415058272 433974836 /nfs/dbraw/zinc/97/48/36/433974836.db2.gz VHZIDBGEHUOBJZ-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340356606 434082001 /nfs/dbraw/zinc/08/20/01/434082001.db2.gz QMPISCYQHQLHND-IEBWSBKVSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340356606 434082010 /nfs/dbraw/zinc/08/20/10/434082010.db2.gz QMPISCYQHQLHND-IEBWSBKVSA-N 2 2 302.462 3.198 10 0 DGAELP C[N@H+](Cc1cc(Br)cs1)[C@@H]1C[NH+]2CCC1CC2 ZINC000310424913 434110850 /nfs/dbraw/zinc/11/08/50/434110850.db2.gz LSVGMRYCYMSXPG-CYBMUJFWSA-N 2 2 315.280 3.037 10 0 DGAELP C[N@@H+](Cc1cc(Br)cs1)[C@@H]1C[NH+]2CCC1CC2 ZINC000310424913 434110861 /nfs/dbraw/zinc/11/08/61/434110861.db2.gz LSVGMRYCYMSXPG-CYBMUJFWSA-N 2 2 315.280 3.037 10 0 DGAELP c1coc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013951 434153910 /nfs/dbraw/zinc/15/39/10/434153910.db2.gz GCOUNPUQZPKSLR-DZGCQCFKSA-N 2 2 317.458 3.367 10 0 DGAELP c1coc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013951 434153919 /nfs/dbraw/zinc/15/39/19/434153919.db2.gz GCOUNPUQZPKSLR-DZGCQCFKSA-N 2 2 317.458 3.367 10 0 DGAELP Nc1ccc(N[C@H]2CCC[N@H+](Cc3ccsc3)CC2)c[nH+]1 ZINC000328648085 434293315 /nfs/dbraw/zinc/29/33/15/434293315.db2.gz UKPKSCBQQPCWES-AWEZNQCLSA-N 2 2 302.447 3.192 10 0 DGAELP Nc1ccc(N[C@H]2CCC[N@@H+](Cc3ccsc3)CC2)c[nH+]1 ZINC000328648085 434293321 /nfs/dbraw/zinc/29/33/21/434293321.db2.gz UKPKSCBQQPCWES-AWEZNQCLSA-N 2 2 302.447 3.192 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000389112504 434342476 /nfs/dbraw/zinc/34/24/76/434342476.db2.gz AQFVBHIYSVAJFR-SIWZUTFBSA-N 2 2 323.278 3.379 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000389112504 434342483 /nfs/dbraw/zinc/34/24/83/434342483.db2.gz AQFVBHIYSVAJFR-SIWZUTFBSA-N 2 2 323.278 3.379 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000389287455 434348496 /nfs/dbraw/zinc/34/84/96/434348496.db2.gz WLFGFTIZPBRZGV-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000389287455 434348503 /nfs/dbraw/zinc/34/85/03/434348503.db2.gz WLFGFTIZPBRZGV-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CO1 ZINC000397951837 434446730 /nfs/dbraw/zinc/44/67/30/434446730.db2.gz PQHJMUBEPODQEK-IEBWSBKVSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CO1 ZINC000397951837 434446739 /nfs/dbraw/zinc/44/67/39/434446739.db2.gz PQHJMUBEPODQEK-IEBWSBKVSA-N 2 2 302.462 3.198 10 0 DGAELP c1cc(-c2n[nH]cc2C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cs1 ZINC000526124473 295060260 /nfs/dbraw/zinc/06/02/60/295060260.db2.gz OLWIUOVEPGSSID-UHFFFAOYSA-N 2 2 313.430 3.241 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000527804506 295133705 /nfs/dbraw/zinc/13/37/05/295133705.db2.gz QKAXMAQGIPNGPA-MVCWPVRBSA-N 2 2 302.462 3.051 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000527804506 295133706 /nfs/dbraw/zinc/13/37/06/295133706.db2.gz QKAXMAQGIPNGPA-MVCWPVRBSA-N 2 2 302.462 3.051 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ncccc3Cl)C2)[nH+]1 ZINC000528386256 295206005 /nfs/dbraw/zinc/20/60/05/295206005.db2.gz HISARVDAUZGVJY-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ncccc3Cl)C2)[nH+]1 ZINC000528386256 295206007 /nfs/dbraw/zinc/20/60/07/295206007.db2.gz HISARVDAUZGVJY-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP COc1cccc2c(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc[nH+]c12 ZINC000249647652 295333003 /nfs/dbraw/zinc/33/30/03/295333003.db2.gz XXQANSQQFSCPCR-HOCLYGCPSA-N 2 2 311.429 3.164 10 0 DGAELP COc1cccc2c(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc[nH+]c12 ZINC000249647652 295333005 /nfs/dbraw/zinc/33/30/05/295333005.db2.gz XXQANSQQFSCPCR-HOCLYGCPSA-N 2 2 311.429 3.164 10 0 DGAELP CC(C)[NH2+]C1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411369893 434768988 /nfs/dbraw/zinc/76/89/88/434768988.db2.gz YYMUPWZPICXCJB-UHFFFAOYSA-N 2 2 317.408 3.443 10 0 DGAELP c1cc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)cs1 ZINC000574572289 434988624 /nfs/dbraw/zinc/98/86/24/434988624.db2.gz NACGYIWEXRIOAA-INIZCTEOSA-N 2 2 319.499 3.447 10 0 DGAELP c1cc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cs2)cs1 ZINC000574572289 434988626 /nfs/dbraw/zinc/98/86/26/434988626.db2.gz NACGYIWEXRIOAA-INIZCTEOSA-N 2 2 319.499 3.447 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062425 435202300 /nfs/dbraw/zinc/20/23/00/435202300.db2.gz ZDJUOAANZAYAEV-IHPCNDPISA-N 3 2 317.521 3.121 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062425 435202305 /nfs/dbraw/zinc/20/23/05/435202305.db2.gz ZDJUOAANZAYAEV-IHPCNDPISA-N 3 2 317.521 3.121 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000579793750 435182079 /nfs/dbraw/zinc/18/20/79/435182079.db2.gz AFCQFYGDHXLDMT-GOSISDBHSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000579793750 435182083 /nfs/dbraw/zinc/18/20/83/435182083.db2.gz AFCQFYGDHXLDMT-GOSISDBHSA-N 2 2 302.462 3.452 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000183920433 298317689 /nfs/dbraw/zinc/31/76/89/298317689.db2.gz SBZAEGOSNZYWKR-UWWQBHOKSA-N 2 2 318.461 3.142 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000183920433 298317691 /nfs/dbraw/zinc/31/76/91/298317691.db2.gz SBZAEGOSNZYWKR-UWWQBHOKSA-N 2 2 318.461 3.142 10 0 DGAELP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059028 435701187 /nfs/dbraw/zinc/70/11/87/435701187.db2.gz QSAXFSPHELAQQM-QZTJIDSGSA-N 2 2 324.509 3.306 10 0 DGAELP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059028 435701188 /nfs/dbraw/zinc/70/11/88/435701188.db2.gz QSAXFSPHELAQQM-QZTJIDSGSA-N 2 2 324.509 3.306 10 0 DGAELP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2Br)n1C ZINC000657291551 436117861 /nfs/dbraw/zinc/11/78/61/436117861.db2.gz XCWOVSAADXQVFS-SNVBAGLBSA-N 2 2 308.223 3.342 10 0 DGAELP c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[NH2+]C23CCC3)nc1 ZINC000530176184 313333900 /nfs/dbraw/zinc/33/39/00/313333900.db2.gz CKCIDPVNGOZAEH-LJQANCHMSA-N 2 2 323.440 3.035 10 0 DGAELP Clc1ccc(C[NH2+]CCC[NH+]2CCC2)c(Br)c1 ZINC000566474457 315350684 /nfs/dbraw/zinc/35/06/84/315350684.db2.gz QDYGRDSYLIUEPD-UHFFFAOYSA-N 2 2 317.658 3.288 10 0 DGAELP COC[C@H](C)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000187615448 323416478 /nfs/dbraw/zinc/41/64/78/323416478.db2.gz CXDHIECCVCYEGH-CVEARBPZSA-N 2 2 310.507 3.393 10 0 DGAELP COC[C@@H](C)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000187615481 323416761 /nfs/dbraw/zinc/41/67/61/323416761.db2.gz CXDHIECCVCYEGH-HOTGVXAUSA-N 2 2 310.507 3.393 10 0 DGAELP C[NH+](C)CCC[NH2+]Cc1cccc(Br)c1Cl ZINC000163603200 1176026128 /nfs/dbraw/zinc/02/61/28/1176026128.db2.gz NWPIEQPNMAWTQK-UHFFFAOYSA-N 2 2 305.647 3.144 10 0 DGAELP O[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180209965 534429088 /nfs/dbraw/zinc/42/90/88/534429088.db2.gz BFCYYHFWWJSUQC-HXUWFJFHSA-N 2 2 324.468 3.212 10 0 DGAELP CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456267 519833546 /nfs/dbraw/zinc/83/35/46/519833546.db2.gz RAECMFZYFDVRQZ-CQSZACIVSA-N 2 2 311.433 3.074 10 0 DGAELP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(OC)cc1 ZINC000163292289 520776259 /nfs/dbraw/zinc/77/62/59/520776259.db2.gz IFDMFNKUTWIQNS-IEBWSBKVSA-N 2 2 320.477 3.237 10 0 DGAELP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(OC)cc1 ZINC000163292289 520776266 /nfs/dbraw/zinc/77/62/66/520776266.db2.gz IFDMFNKUTWIQNS-IEBWSBKVSA-N 2 2 320.477 3.237 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000163318280 523830212 /nfs/dbraw/zinc/83/02/12/523830212.db2.gz AKFBHLHABQHOOK-TZMCWYRMSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000163318280 523830217 /nfs/dbraw/zinc/83/02/17/523830217.db2.gz AKFBHLHABQHOOK-TZMCWYRMSA-N 2 2 314.832 3.241 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000163301476 527396243 /nfs/dbraw/zinc/39/62/43/527396243.db2.gz BRVDINUCQKKAOM-HNNXBMFYSA-N 2 2 305.447 3.107 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000163301476 527396250 /nfs/dbraw/zinc/39/62/50/527396250.db2.gz BRVDINUCQKKAOM-HNNXBMFYSA-N 2 2 305.447 3.107 10 0 DGAELP C[NH+](C)C1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000156098148 546031708 /nfs/dbraw/zinc/03/17/08/546031708.db2.gz CNUXLZJIOZRXPZ-UHFFFAOYSA-N 2 2 316.367 3.154 10 0 DGAELP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100478 546119879 /nfs/dbraw/zinc/11/98/79/546119879.db2.gz CMQCNYADWDRUEB-CQSZACIVSA-N 2 2 307.344 3.149 10 0 DGAELP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177100478 546119885 /nfs/dbraw/zinc/11/98/85/546119885.db2.gz CMQCNYADWDRUEB-CQSZACIVSA-N 2 2 307.344 3.149 10 0 DGAELP C[C@H]([NH2+]Cc1noc2c1CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185666788 546189254 /nfs/dbraw/zinc/18/92/54/546189254.db2.gz OZVKBKKLGWLDAJ-LSDHHAIUSA-N 2 2 317.477 3.296 10 0 DGAELP C[C@H]([NH2+]Cc1noc2c1CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185666788 546189257 /nfs/dbraw/zinc/18/92/57/546189257.db2.gz OZVKBKKLGWLDAJ-LSDHHAIUSA-N 2 2 317.477 3.296 10 0 DGAELP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc2n1 ZINC000188417881 546204736 /nfs/dbraw/zinc/20/47/36/546204736.db2.gz IRFGQMFOXMKAFK-GOSISDBHSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1ccc2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)ccc2n1 ZINC000188417881 546204740 /nfs/dbraw/zinc/20/47/40/546204740.db2.gz IRFGQMFOXMKAFK-GOSISDBHSA-N 2 2 306.413 3.404 10 0 DGAELP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413825 546330634 /nfs/dbraw/zinc/33/06/34/546330634.db2.gz FYSGEGGJUPKGDQ-XJKSGUPXSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413825 546330638 /nfs/dbraw/zinc/33/06/38/546330638.db2.gz FYSGEGGJUPKGDQ-XJKSGUPXSA-N 2 2 308.853 3.313 10 0 DGAELP c1ccc2sc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000252458218 546331650 /nfs/dbraw/zinc/33/16/50/546331650.db2.gz RXKXEWIJZBKTGO-ZIAGYGMSSA-N 2 2 301.459 3.260 10 0 DGAELP c1ccc2sc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc2c1 ZINC000252458218 546331654 /nfs/dbraw/zinc/33/16/54/546331654.db2.gz RXKXEWIJZBKTGO-ZIAGYGMSSA-N 2 2 301.459 3.260 10 0 DGAELP C[C@H]1C[C@H]([NH2+]Cc2cscc2Br)CC[N@@H+]1C ZINC000304578258 546440631 /nfs/dbraw/zinc/44/06/31/546440631.db2.gz NRANEIGPAHVBPG-GXSJLCMTSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@H]1C[C@H]([NH2+]Cc2cscc2Br)CC[N@H+]1C ZINC000304578258 546440635 /nfs/dbraw/zinc/44/06/35/546440635.db2.gz NRANEIGPAHVBPG-GXSJLCMTSA-N 2 2 303.269 3.083 10 0 DGAELP Clc1c[nH+]ccc1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299752603 563515866 /nfs/dbraw/zinc/51/58/66/563515866.db2.gz USNIIZAFFOOLKD-LBPRGKRZSA-N 2 2 302.809 3.262 10 0 DGAELP Cc1ncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000742386727 574995284 /nfs/dbraw/zinc/99/52/84/574995284.db2.gz ADKLHYGWCXBJQZ-MRXNPFEDSA-N 2 2 312.442 3.259 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000723602328 655704800 /nfs/dbraw/zinc/70/48/00/655704800.db2.gz IXEZHPKBYPOYJH-LJQANCHMSA-N 2 2 313.445 3.293 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000723602328 655704801 /nfs/dbraw/zinc/70/48/01/655704801.db2.gz IXEZHPKBYPOYJH-LJQANCHMSA-N 2 2 313.445 3.293 10 0 DGAELP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000261849577 657137063 /nfs/dbraw/zinc/13/70/63/657137063.db2.gz JGAVDKYMFOLYOU-UYHISHBKSA-N 2 2 312.413 3.499 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H](O)c2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000398007025 685233858 /nfs/dbraw/zinc/23/38/58/685233858.db2.gz YKWXPIKDHURPLB-NHCUHLMSSA-N 2 2 324.468 3.364 10 0 DGAELP C[C@]1(C[NH2+]C[C@@H](O)c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000398007025 685233861 /nfs/dbraw/zinc/23/38/61/685233861.db2.gz YKWXPIKDHURPLB-NHCUHLMSSA-N 2 2 324.468 3.364 10 0 DGAELP Cc1ccc(O)c(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000379656779 1176804452 /nfs/dbraw/zinc/80/44/52/1176804452.db2.gz QMLNGVTZMXGPKB-MRXNPFEDSA-N 2 2 313.445 3.096 10 0 DGAELP Cc1ccc(O)c(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000379656779 1176804464 /nfs/dbraw/zinc/80/44/64/1176804464.db2.gz QMLNGVTZMXGPKB-MRXNPFEDSA-N 2 2 313.445 3.096 10 0 DGAELP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cc(OC)c1 ZINC000078847531 1196802566 /nfs/dbraw/zinc/80/25/66/1196802566.db2.gz XMGQPGWRNHIMMO-UHFFFAOYSA-N 2 2 315.417 3.081 10 0 DGAELP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1OC ZINC000078847708 1196804322 /nfs/dbraw/zinc/80/43/22/1196804322.db2.gz RYCWEMFFPCEQPL-UHFFFAOYSA-N 2 2 315.417 3.081 10 0 DGAELP CCc1cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000379681928 1197703229 /nfs/dbraw/zinc/70/32/29/1197703229.db2.gz UWLSCQOQFCEZIN-LJQANCHMSA-N 2 2 324.472 3.236 10 0 DGAELP CCc1cc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000379681928 1197703232 /nfs/dbraw/zinc/70/32/32/1197703232.db2.gz UWLSCQOQFCEZIN-LJQANCHMSA-N 2 2 324.472 3.236 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCOC(F)(F)F ZINC000713400115 1086215201 /nfs/dbraw/zinc/21/52/01/1086215201.db2.gz NFOWSZFTZHWJQI-UHFFFAOYSA-N 2 2 318.383 3.413 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCOC(F)(F)F ZINC000713400115 1086215224 /nfs/dbraw/zinc/21/52/24/1086215224.db2.gz NFOWSZFTZHWJQI-UHFFFAOYSA-N 2 2 318.383 3.413 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720866890 1096072153 /nfs/dbraw/zinc/07/21/53/1096072153.db2.gz TVOKQYZWRZOYDM-QYZOEREBSA-N 2 2 316.489 3.444 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720866890 1096072163 /nfs/dbraw/zinc/07/21/63/1096072163.db2.gz TVOKQYZWRZOYDM-QYZOEREBSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129439584 432005606 /nfs/dbraw/zinc/00/56/06/432005606.db2.gz CEXBAKHZQOJJEQ-DOMZBBRYSA-N 2 2 314.364 3.247 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C[C@@H]1n1cc[nH+]c1 ZINC000129439584 432005609 /nfs/dbraw/zinc/00/56/09/432005609.db2.gz CEXBAKHZQOJJEQ-DOMZBBRYSA-N 2 2 314.364 3.247 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC000172014596 198025508 /nfs/dbraw/zinc/02/55/08/198025508.db2.gz KIJJQGMHTCSAIK-INIZCTEOSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000172014596 198025510 /nfs/dbraw/zinc/02/55/10/198025510.db2.gz KIJJQGMHTCSAIK-INIZCTEOSA-N 2 2 301.438 3.060 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)[nH+]1 ZINC000173780078 198251029 /nfs/dbraw/zinc/25/10/29/198251029.db2.gz FVLADLMAXFUDEB-CQSZACIVSA-N 2 2 316.836 3.372 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccccc1N(C)C ZINC000179400594 199029159 /nfs/dbraw/zinc/02/91/59/199029159.db2.gz RRZRYITXPNETRW-HNNXBMFYSA-N 2 2 321.428 3.184 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883941 199092040 /nfs/dbraw/zinc/09/20/40/199092040.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883941 199092041 /nfs/dbraw/zinc/09/20/41/199092041.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883941 199092043 /nfs/dbraw/zinc/09/20/43/199092043.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@H](C)C1 ZINC000179883941 199092045 /nfs/dbraw/zinc/09/20/45/199092045.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883941 199092047 /nfs/dbraw/zinc/09/20/47/199092047.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883941 199092048 /nfs/dbraw/zinc/09/20/48/199092048.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883941 199092051 /nfs/dbraw/zinc/09/20/51/199092051.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000179883941 199092052 /nfs/dbraw/zinc/09/20/52/199092052.db2.gz GSVWPSCOQUIMJC-QAPCUYQASA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075091 200189383 /nfs/dbraw/zinc/18/93/83/200189383.db2.gz ZHIFUHUIYRJCMR-YPMHNXCESA-N 2 2 315.255 3.204 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075091 200189385 /nfs/dbraw/zinc/18/93/85/200189385.db2.gz ZHIFUHUIYRJCMR-YPMHNXCESA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075091 200189386 /nfs/dbraw/zinc/18/93/86/200189386.db2.gz ZHIFUHUIYRJCMR-YPMHNXCESA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075091 200189388 /nfs/dbraw/zinc/18/93/88/200189388.db2.gz ZHIFUHUIYRJCMR-YPMHNXCESA-N 2 2 315.255 3.204 10 0 DGAELP C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000091961206 193133271 /nfs/dbraw/zinc/13/32/71/193133271.db2.gz HWWRGSNFNQNUMK-KXBFYZLASA-N 2 2 321.428 3.356 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000091961206 193133272 /nfs/dbraw/zinc/13/32/72/193133272.db2.gz HWWRGSNFNQNUMK-KXBFYZLASA-N 2 2 321.428 3.356 10 0 DGAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247082 432112004 /nfs/dbraw/zinc/11/20/04/432112004.db2.gz OXOWHBCLQBDKHE-PVAVHDDUSA-N 2 2 318.461 3.227 10 0 DGAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247082 432112006 /nfs/dbraw/zinc/11/20/06/432112006.db2.gz OXOWHBCLQBDKHE-PVAVHDDUSA-N 2 2 318.461 3.227 10 0 DGAELP C/C(=C\c1ccccc1)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079492 193155462 /nfs/dbraw/zinc/15/54/62/193155462.db2.gz JQRFJSGCLQOLJF-UMADGWCESA-N 2 2 314.473 3.275 10 0 DGAELP C/C(=C\c1ccccc1)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079492 193155464 /nfs/dbraw/zinc/15/54/64/193155464.db2.gz JQRFJSGCLQOLJF-UMADGWCESA-N 2 2 314.473 3.275 10 0 DGAELP c1ccc(OC2CCC2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459415391 243362582 /nfs/dbraw/zinc/36/25/82/243362582.db2.gz RYACVQOXHRXGTH-UHFFFAOYSA-N 2 2 300.446 3.334 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)n2c1 ZINC000093637045 193279170 /nfs/dbraw/zinc/27/91/70/193279170.db2.gz IFXMHWLWLMZWKG-SJORKVTESA-N 2 2 312.461 3.090 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)n2c1 ZINC000093637045 193279171 /nfs/dbraw/zinc/27/91/71/193279171.db2.gz IFXMHWLWLMZWKG-SJORKVTESA-N 2 2 312.461 3.090 10 0 DGAELP c1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282767865 217237283 /nfs/dbraw/zinc/23/72/83/217237283.db2.gz PIFSFOIFRKNZHY-ZDUSSCGKSA-N 2 2 302.447 3.056 10 0 DGAELP CCCC[N@H+](C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019273740 182111654 /nfs/dbraw/zinc/11/16/54/182111654.db2.gz ZVTGVGYQEFRFLA-CYBMUJFWSA-N 2 2 303.219 3.320 10 0 DGAELP CCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019273740 182111656 /nfs/dbraw/zinc/11/16/56/182111656.db2.gz ZVTGVGYQEFRFLA-CYBMUJFWSA-N 2 2 303.219 3.320 10 0 DGAELP c1ccc(COC2CC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000494476239 246153350 /nfs/dbraw/zinc/15/33/50/246153350.db2.gz NRHVLRWHHAFDSA-SKINQDTJSA-N 2 2 314.473 3.341 10 0 DGAELP c1ccc(COC2CC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000494476239 246153352 /nfs/dbraw/zinc/15/33/52/246153352.db2.gz NRHVLRWHHAFDSA-SKINQDTJSA-N 2 2 314.473 3.341 10 0 DGAELP CC(C)C[N@H+]([C@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042555947 183284769 /nfs/dbraw/zinc/28/47/69/183284769.db2.gz BIMOPGIEMFKDIZ-LLVKDONJSA-N 2 2 301.228 3.162 10 0 DGAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1ccc(Br)o1)C1CC1 ZINC000042555947 183284772 /nfs/dbraw/zinc/28/47/72/183284772.db2.gz BIMOPGIEMFKDIZ-LLVKDONJSA-N 2 2 301.228 3.162 10 0 DGAELP CC(C)c1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000105876528 194153841 /nfs/dbraw/zinc/15/38/41/194153841.db2.gz WGNNLGYBEJPEEY-UHFFFAOYSA-N 2 2 318.490 3.455 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000105897229 194162458 /nfs/dbraw/zinc/16/24/58/194162458.db2.gz DBFPXDCHQYWHNQ-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000105897229 194162461 /nfs/dbraw/zinc/16/24/61/194162461.db2.gz DBFPXDCHQYWHNQ-CQSZACIVSA-N 2 2 304.825 3.331 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000105897938 194162568 /nfs/dbraw/zinc/16/25/68/194162568.db2.gz GDXMALAYTHHGQQ-KRWDZBQOSA-N 2 2 315.465 3.149 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000105897938 194162570 /nfs/dbraw/zinc/16/25/70/194162570.db2.gz GDXMALAYTHHGQQ-KRWDZBQOSA-N 2 2 315.465 3.149 10 0 DGAELP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(C2CC2)n1)c1ccco1 ZINC000110319325 194321546 /nfs/dbraw/zinc/32/15/46/194321546.db2.gz VSGLUOIMHZTDKL-AWEZNQCLSA-N 2 2 300.406 3.442 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@H]3CCCC34CCOCC4)c2)c[nH+]1 ZINC000337305142 253082949 /nfs/dbraw/zinc/08/29/49/253082949.db2.gz RDPIHKZZPUIWAL-INIZCTEOSA-N 2 2 317.458 3.373 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645766 533418709 /nfs/dbraw/zinc/41/87/09/533418709.db2.gz QIZRSYILQHWCLE-YPMHNXCESA-N 2 2 302.340 3.330 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645766 533418715 /nfs/dbraw/zinc/41/87/15/533418715.db2.gz QIZRSYILQHWCLE-YPMHNXCESA-N 2 2 302.340 3.330 10 0 DGAELP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328635970 400183579 /nfs/dbraw/zinc/18/35/79/400183579.db2.gz NVGXMKPZFCKPHA-IEZWGBDMSA-N 2 2 313.445 3.278 10 0 DGAELP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328635970 400183588 /nfs/dbraw/zinc/18/35/88/400183588.db2.gz NVGXMKPZFCKPHA-IEZWGBDMSA-N 2 2 313.445 3.278 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616619917 400185940 /nfs/dbraw/zinc/18/59/40/400185940.db2.gz CQQSHMQRWGLJKO-HNNXBMFYSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1cccc([C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616619917 400185945 /nfs/dbraw/zinc/18/59/45/400185945.db2.gz CQQSHMQRWGLJKO-HNNXBMFYSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616620647 400186063 /nfs/dbraw/zinc/18/60/63/400186063.db2.gz MGPSBUSEEJMRHV-OAHLLOKOSA-N 2 2 319.449 3.172 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616620647 400186067 /nfs/dbraw/zinc/18/60/67/400186067.db2.gz MGPSBUSEEJMRHV-OAHLLOKOSA-N 2 2 319.449 3.172 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ccncc2c1 ZINC000616679035 400200681 /nfs/dbraw/zinc/20/06/81/400200681.db2.gz BJRJAPOPORNXNW-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc2ccncc2c1 ZINC000616679035 400200683 /nfs/dbraw/zinc/20/06/83/400200683.db2.gz BJRJAPOPORNXNW-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc2ncccc21 ZINC000616691693 400206726 /nfs/dbraw/zinc/20/67/26/400206726.db2.gz JJACXKXUMMIGBS-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc2ncccc21 ZINC000616691693 400206731 /nfs/dbraw/zinc/20/67/31/400206731.db2.gz JJACXKXUMMIGBS-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP CCC(CC)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591470097 400530852 /nfs/dbraw/zinc/53/08/52/400530852.db2.gz AJAXULHGOLWXLW-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CCC(CC)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000591470097 400530854 /nfs/dbraw/zinc/53/08/54/400530854.db2.gz AJAXULHGOLWXLW-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CCC(CC)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000591470097 400530856 /nfs/dbraw/zinc/53/08/56/400530856.db2.gz AJAXULHGOLWXLW-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP CCC(CC)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000591470097 400530860 /nfs/dbraw/zinc/53/08/60/400530860.db2.gz AJAXULHGOLWXLW-LJQANCHMSA-N 2 2 304.478 3.132 10 0 DGAELP Cc1nc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cs1 ZINC000608072280 401181123 /nfs/dbraw/zinc/18/11/23/401181123.db2.gz KTVXBZFJIHJHMZ-INIZCTEOSA-N 2 2 312.442 3.259 10 0 DGAELP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n(CC2CCC2)n1 ZINC000631083224 401387825 /nfs/dbraw/zinc/38/78/25/401387825.db2.gz KORGPHHTTCTRBK-UHFFFAOYSA-N 2 2 316.493 3.180 10 0 DGAELP C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)C[C@@H]1C[NH3+] ZINC000634998378 401398748 /nfs/dbraw/zinc/39/87/48/401398748.db2.gz DYXWRSZALQJLQE-SFYZADRCSA-N 2 2 323.687 3.191 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)C[C@@H]1C[NH3+] ZINC000634998378 401398749 /nfs/dbraw/zinc/39/87/49/401398749.db2.gz DYXWRSZALQJLQE-SFYZADRCSA-N 2 2 323.687 3.191 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000628454002 401598596 /nfs/dbraw/zinc/59/85/96/401598596.db2.gz GXWFAJIVQGRSLY-SFHVURJKSA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000628454002 401598599 /nfs/dbraw/zinc/59/85/99/401598599.db2.gz GXWFAJIVQGRSLY-SFHVURJKSA-N 2 2 302.462 3.452 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702853 165100568 /nfs/dbraw/zinc/10/05/68/165100568.db2.gz WKDFFPDJSZCOHX-QFBILLFUSA-N 2 2 312.461 3.125 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702853 165100571 /nfs/dbraw/zinc/10/05/71/165100571.db2.gz WKDFFPDJSZCOHX-QFBILLFUSA-N 2 2 312.461 3.125 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702815 165101433 /nfs/dbraw/zinc/10/14/33/165101433.db2.gz WKDFFPDJSZCOHX-LPHOPBHVSA-N 2 2 312.461 3.125 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702815 165101438 /nfs/dbraw/zinc/10/14/38/165101438.db2.gz WKDFFPDJSZCOHX-LPHOPBHVSA-N 2 2 312.461 3.125 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000191948006 165277642 /nfs/dbraw/zinc/27/76/42/165277642.db2.gz COYPPIJUUBWPAI-RBUKOAKNSA-N 2 2 311.429 3.324 10 0 DGAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000246850859 432172163 /nfs/dbraw/zinc/17/21/63/432172163.db2.gz QOQMPRHOQOXPNB-HOCLYGCPSA-N 2 2 320.799 3.435 10 0 DGAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000246850859 432172165 /nfs/dbraw/zinc/17/21/65/432172165.db2.gz QOQMPRHOQOXPNB-HOCLYGCPSA-N 2 2 320.799 3.435 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246888477 432178122 /nfs/dbraw/zinc/17/81/22/432178122.db2.gz DNTJOHJTFYUCKF-RDJZCZTQSA-N 2 2 308.853 3.028 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246888477 432178127 /nfs/dbraw/zinc/17/81/27/432178127.db2.gz DNTJOHJTFYUCKF-RDJZCZTQSA-N 2 2 308.853 3.028 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131089674 196138350 /nfs/dbraw/zinc/13/83/50/196138350.db2.gz JABQCDYLWMNLRI-GOSISDBHSA-N 2 2 318.509 3.381 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000131089674 196138352 /nfs/dbraw/zinc/13/83/52/196138352.db2.gz JABQCDYLWMNLRI-GOSISDBHSA-N 2 2 318.509 3.381 10 0 DGAELP c1[nH+]cn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000297455993 227189232 /nfs/dbraw/zinc/18/92/32/227189232.db2.gz HPMMISOSKLBMNR-UHFFFAOYSA-N 3 2 320.440 3.089 10 0 DGAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299746576 229389066 /nfs/dbraw/zinc/38/90/66/229389066.db2.gz YEVZXWQKAGMZEC-CQSZACIVSA-N 2 2 316.474 3.282 10 0 DGAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299746576 229389069 /nfs/dbraw/zinc/38/90/69/229389069.db2.gz YEVZXWQKAGMZEC-CQSZACIVSA-N 2 2 316.474 3.282 10 0 DGAELP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000347331296 264198230 /nfs/dbraw/zinc/19/82/30/264198230.db2.gz GKKSHTZUHSJROY-ZAWLATJESA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000347331296 264198232 /nfs/dbraw/zinc/19/82/32/264198232.db2.gz GKKSHTZUHSJROY-ZAWLATJESA-N 2 2 302.462 3.054 10 0 DGAELP c1cc(N2CCC(C[NH+]3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000352962277 265247480 /nfs/dbraw/zinc/24/74/80/265247480.db2.gz UYSBHEOPKAZSBP-UHFFFAOYSA-N 2 2 300.450 3.056 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244099 266014350 /nfs/dbraw/zinc/01/43/50/266014350.db2.gz XWIMOGFRDOOXDQ-ZWKOTPCHSA-N 2 2 311.429 3.121 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244099 266014353 /nfs/dbraw/zinc/01/43/53/266014353.db2.gz XWIMOGFRDOOXDQ-ZWKOTPCHSA-N 2 2 311.429 3.121 10 0 DGAELP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151504343 432252266 /nfs/dbraw/zinc/25/22/66/432252266.db2.gz ZGUASCFKRBOLGJ-HNNXBMFYSA-N 2 2 322.412 3.435 10 0 DGAELP CC(C)c1cnc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000183059229 432253940 /nfs/dbraw/zinc/25/39/40/432253940.db2.gz LVDAXZUDKVBQCZ-UHFFFAOYSA-N 2 2 318.490 3.455 10 0 DGAELP Fc1ccc2oc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000151626403 432260439 /nfs/dbraw/zinc/26/04/39/432260439.db2.gz SFCZXRJYVCDIIT-OAHLLOKOSA-N 2 2 317.408 3.417 10 0 DGAELP Fc1ccc2oc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000151626403 432260443 /nfs/dbraw/zinc/26/04/43/432260443.db2.gz SFCZXRJYVCDIIT-OAHLLOKOSA-N 2 2 317.408 3.417 10 0 DGAELP c1cc2c(nc(C3CC3)[nH+]c2NCC2CC[NH+](C3CC3)CC2)[nH]1 ZINC000631250298 429980317 /nfs/dbraw/zinc/98/03/17/429980317.db2.gz PHJBUNXNLSFLMD-UHFFFAOYSA-N 2 2 311.433 3.122 10 0 DGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111528 277074130 /nfs/dbraw/zinc/07/41/30/277074130.db2.gz BZVGYPHXBFKSEL-IJEWVQPXSA-N 2 2 316.474 3.062 10 0 DGAELP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@@H]1c1cccs1 ZINC000453111528 277074131 /nfs/dbraw/zinc/07/41/31/277074131.db2.gz BZVGYPHXBFKSEL-IJEWVQPXSA-N 2 2 316.474 3.062 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000183920396 278163948 /nfs/dbraw/zinc/16/39/48/278163948.db2.gz SBZAEGOSNZYWKR-QGPMSJSTSA-N 2 2 318.461 3.142 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000183920396 278163951 /nfs/dbraw/zinc/16/39/51/278163951.db2.gz SBZAEGOSNZYWKR-QGPMSJSTSA-N 2 2 318.461 3.142 10 0 DGAELP Cc1cccc(NC[C@H]2CCN(c3cc(C)[nH+]c(C4CC4)n3)C2)[nH+]1 ZINC000116260634 431498445 /nfs/dbraw/zinc/49/84/45/431498445.db2.gz SDKHYECVCJVWGB-OAHLLOKOSA-N 2 2 323.444 3.304 10 0 DGAELP CC1CCC(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000121240267 431760385 /nfs/dbraw/zinc/76/03/85/431760385.db2.gz GHCPVZXHVOSDAA-UHFFFAOYSA-N 2 2 318.509 3.106 10 0 DGAELP CC1CCC(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000121240267 431760392 /nfs/dbraw/zinc/76/03/92/431760392.db2.gz GHCPVZXHVOSDAA-UHFFFAOYSA-N 2 2 318.509 3.106 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095380 431783841 /nfs/dbraw/zinc/78/38/41/431783841.db2.gz DGNHZVJTDIORNS-HIFRSBDPSA-N 2 2 303.475 3.458 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095380 431783845 /nfs/dbraw/zinc/78/38/45/431783845.db2.gz DGNHZVJTDIORNS-HIFRSBDPSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095380 431783852 /nfs/dbraw/zinc/78/38/52/431783852.db2.gz DGNHZVJTDIORNS-HIFRSBDPSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095380 431783857 /nfs/dbraw/zinc/78/38/57/431783857.db2.gz DGNHZVJTDIORNS-HIFRSBDPSA-N 2 2 303.475 3.458 10 0 DGAELP Cc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856891 /nfs/dbraw/zinc/85/68/91/431856891.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 2 314.429 3.016 10 0 DGAELP Cc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856892 /nfs/dbraw/zinc/85/68/92/431856892.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 2 314.429 3.016 10 0 DGAELP Cc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856894 /nfs/dbraw/zinc/85/68/94/431856894.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 2 314.429 3.016 10 0 DGAELP Cc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856896 /nfs/dbraw/zinc/85/68/96/431856896.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 2 314.429 3.016 10 0 DGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1SC ZINC000123407990 431863824 /nfs/dbraw/zinc/86/38/24/431863824.db2.gz QGNMXGKKNVINDN-HIFRSBDPSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1SC ZINC000123407990 431863826 /nfs/dbraw/zinc/86/38/26/431863826.db2.gz QGNMXGKKNVINDN-HIFRSBDPSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1SC ZINC000123407990 431863828 /nfs/dbraw/zinc/86/38/28/431863828.db2.gz QGNMXGKKNVINDN-HIFRSBDPSA-N 2 2 308.491 3.332 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1SC ZINC000123407990 431863829 /nfs/dbraw/zinc/86/38/29/431863829.db2.gz QGNMXGKKNVINDN-HIFRSBDPSA-N 2 2 308.491 3.332 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123429390 431864608 /nfs/dbraw/zinc/86/46/08/431864608.db2.gz MUCZTWCOLSDKMR-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123429390 431864610 /nfs/dbraw/zinc/86/46/10/431864610.db2.gz MUCZTWCOLSDKMR-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123429390 431864612 /nfs/dbraw/zinc/86/46/12/431864612.db2.gz MUCZTWCOLSDKMR-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123429390 431864613 /nfs/dbraw/zinc/86/46/13/431864613.db2.gz MUCZTWCOLSDKMR-HIFRSBDPSA-N 2 2 323.868 3.001 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123665372 431871385 /nfs/dbraw/zinc/87/13/85/431871385.db2.gz DZHWBTXODHPWSG-UKRRQHHQSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123665372 431871387 /nfs/dbraw/zinc/87/13/87/431871387.db2.gz DZHWBTXODHPWSG-UKRRQHHQSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123665372 431871389 /nfs/dbraw/zinc/87/13/89/431871389.db2.gz DZHWBTXODHPWSG-UKRRQHHQSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123665372 431871390 /nfs/dbraw/zinc/87/13/90/431871390.db2.gz DZHWBTXODHPWSG-UKRRQHHQSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123665533 431871539 /nfs/dbraw/zinc/87/15/39/431871539.db2.gz DZHWBTXODHPWSG-HIFRSBDPSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123665533 431871541 /nfs/dbraw/zinc/87/15/41/431871541.db2.gz DZHWBTXODHPWSG-HIFRSBDPSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123665533 431871543 /nfs/dbraw/zinc/87/15/43/431871543.db2.gz DZHWBTXODHPWSG-HIFRSBDPSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123665533 431871545 /nfs/dbraw/zinc/87/15/45/431871545.db2.gz DZHWBTXODHPWSG-HIFRSBDPSA-N 2 2 318.440 3.110 10 0 DGAELP CC[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000122358494 431829626 /nfs/dbraw/zinc/82/96/26/431829626.db2.gz VUMLQGKFBCNGCM-RISCZKNCSA-N 2 2 315.230 3.147 10 0 DGAELP CC[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000122358494 431829628 /nfs/dbraw/zinc/82/96/28/431829628.db2.gz VUMLQGKFBCNGCM-RISCZKNCSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123886770 431877383 /nfs/dbraw/zinc/87/73/83/431877383.db2.gz HNGHLCMHPRSBHP-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3cccs3)on2)CC[N@H+]1C ZINC000123886770 431877384 /nfs/dbraw/zinc/87/73/84/431877384.db2.gz HNGHLCMHPRSBHP-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123886770 431877385 /nfs/dbraw/zinc/87/73/85/431877385.db2.gz HNGHLCMHPRSBHP-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3cccs3)on2)CC[NH+]1C ZINC000123886770 431877387 /nfs/dbraw/zinc/87/73/87/431877387.db2.gz HNGHLCMHPRSBHP-OCCSQVGLSA-N 2 2 305.447 3.318 10 0 DGAELP Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000248546888 432299313 /nfs/dbraw/zinc/29/93/13/432299313.db2.gz FWVSOJKNDNVPFW-AEFFLSMTSA-N 2 2 311.429 3.347 10 0 DGAELP Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000248546888 432299316 /nfs/dbraw/zinc/29/93/16/432299316.db2.gz FWVSOJKNDNVPFW-AEFFLSMTSA-N 2 2 311.429 3.347 10 0 DGAELP CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183158173 432263525 /nfs/dbraw/zinc/26/35/25/432263525.db2.gz LRRGCCKWTLKFTQ-GUYCJALGSA-N 2 2 315.417 3.173 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000249057606 432335717 /nfs/dbraw/zinc/33/57/17/432335717.db2.gz XXDRLPQULXQGNC-FRQCXROJSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000249057606 432335720 /nfs/dbraw/zinc/33/57/20/432335720.db2.gz XXDRLPQULXQGNC-FRQCXROJSA-N 2 2 301.478 3.460 10 0 DGAELP Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000174921179 432381159 /nfs/dbraw/zinc/38/11/59/432381159.db2.gz GXSJHEJAJMYJJL-JKSUJKDBSA-N 2 2 311.433 3.132 10 0 DGAELP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153166287 432389548 /nfs/dbraw/zinc/38/95/48/432389548.db2.gz MWDLPEFCCKIIPB-GOEBONIOSA-N 2 2 316.445 3.360 10 0 DGAELP CCC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccnc1 ZINC000184989246 432453309 /nfs/dbraw/zinc/45/33/09/432453309.db2.gz KPPCSUGSICBTDP-QGZVFWFLSA-N 2 2 307.401 3.293 10 0 DGAELP CC1(C)CCC[C@@H]1[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262228452 432478359 /nfs/dbraw/zinc/47/83/59/432478359.db2.gz NOFPBOFBYXCOSO-HNNXBMFYSA-N 2 2 314.433 3.109 10 0 DGAELP CC1(C)CCC[C@@H]1[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262228452 432478363 /nfs/dbraw/zinc/47/83/63/432478363.db2.gz NOFPBOFBYXCOSO-HNNXBMFYSA-N 2 2 314.433 3.109 10 0 DGAELP Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000154919109 432529384 /nfs/dbraw/zinc/52/93/84/432529384.db2.gz KXTBIGZWDADESX-HNNXBMFYSA-N 2 2 302.466 3.362 10 0 DGAELP Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000154919109 432529387 /nfs/dbraw/zinc/52/93/87/432529387.db2.gz KXTBIGZWDADESX-HNNXBMFYSA-N 2 2 302.466 3.362 10 0 DGAELP CC[NH+](CC)CCCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000195163722 432609769 /nfs/dbraw/zinc/60/97/69/432609769.db2.gz GPVXCZQRQQPHER-UHFFFAOYSA-N 2 2 313.449 3.381 10 0 DGAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187135760 432648762 /nfs/dbraw/zinc/64/87/62/432648762.db2.gz MNSXJYKANXTNES-GOEBONIOSA-N 2 2 308.441 3.087 10 0 DGAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187135760 432648766 /nfs/dbraw/zinc/64/87/66/432648766.db2.gz MNSXJYKANXTNES-GOEBONIOSA-N 2 2 308.441 3.087 10 0 DGAELP Cc1ccc(C(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000158698751 432654808 /nfs/dbraw/zinc/65/48/08/432654808.db2.gz DSGHGLDBPPAHNG-UHFFFAOYSA-N 2 2 300.446 3.128 10 0 DGAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000187820957 432686085 /nfs/dbraw/zinc/68/60/85/432686085.db2.gz YZEOUQOHRMEUQH-HOCLYGCPSA-N 2 2 318.486 3.399 10 0 DGAELP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000178564074 432752803 /nfs/dbraw/zinc/75/28/03/432752803.db2.gz GUZODGINUBXFAS-SJLPKXTDSA-N 2 2 320.477 3.237 10 0 DGAELP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)cc1 ZINC000178564074 432752807 /nfs/dbraw/zinc/75/28/07/432752807.db2.gz GUZODGINUBXFAS-SJLPKXTDSA-N 2 2 320.477 3.237 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275943333 432761499 /nfs/dbraw/zinc/76/14/99/432761499.db2.gz ZIEANYBPSCKDGS-AYBZRNKSSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275943333 432761501 /nfs/dbraw/zinc/76/15/01/432761501.db2.gz ZIEANYBPSCKDGS-AYBZRNKSSA-N 2 2 324.472 3.346 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000189729073 432814688 /nfs/dbraw/zinc/81/46/88/432814688.db2.gz DPRFBMULINHEHY-NJAFHUGGSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000189729073 432814692 /nfs/dbraw/zinc/81/46/92/432814692.db2.gz DPRFBMULINHEHY-NJAFHUGGSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC[NH+]1CCCC1 ZINC000245866843 432866341 /nfs/dbraw/zinc/86/63/41/432866341.db2.gz LMCJDFIJTYEBSL-LMMKCTJWSA-N 2 2 302.462 3.323 10 0 DGAELP C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCC[NH+]1CCCC1 ZINC000245866843 432866345 /nfs/dbraw/zinc/86/63/45/432866345.db2.gz LMCJDFIJTYEBSL-LMMKCTJWSA-N 2 2 302.462 3.323 10 0 DGAELP Cc1cccnc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245534823 432840029 /nfs/dbraw/zinc/84/00/29/432840029.db2.gz KFIWUWXIYBWRGX-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cccnc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245534823 432840030 /nfs/dbraw/zinc/84/00/30/432840030.db2.gz KFIWUWXIYBWRGX-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cccnc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245534823 432840032 /nfs/dbraw/zinc/84/00/32/432840032.db2.gz KFIWUWXIYBWRGX-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cccnc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245534823 432840033 /nfs/dbraw/zinc/84/00/33/432840033.db2.gz KFIWUWXIYBWRGX-MSOLQXFVSA-N 2 2 301.478 3.476 10 0 DGAELP C[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245561760 432845142 /nfs/dbraw/zinc/84/51/42/432845142.db2.gz CEXBAKHZQOJJEQ-IUODEOHRSA-N 2 2 314.364 3.247 10 0 DGAELP C[C@@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245561760 432845145 /nfs/dbraw/zinc/84/51/45/432845145.db2.gz CEXBAKHZQOJJEQ-IUODEOHRSA-N 2 2 314.364 3.247 10 0 DGAELP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000278884342 432913193 /nfs/dbraw/zinc/91/31/93/432913193.db2.gz YBWZQRHKRYWPML-OKYOBFRVSA-N 2 2 314.473 3.054 10 0 DGAELP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000278884342 432913195 /nfs/dbraw/zinc/91/31/95/432913195.db2.gz YBWZQRHKRYWPML-OKYOBFRVSA-N 2 2 314.473 3.054 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000341387742 433045271 /nfs/dbraw/zinc/04/52/71/433045271.db2.gz YTKBYIPMZMKPSL-ZMMAXQRCSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000341387742 433045274 /nfs/dbraw/zinc/04/52/74/433045274.db2.gz YTKBYIPMZMKPSL-ZMMAXQRCSA-N 2 2 306.494 3.188 10 0 DGAELP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333272827 433045714 /nfs/dbraw/zinc/04/57/14/433045714.db2.gz GIZBOMGSLWXZDF-JKSUJKDBSA-N 2 2 316.449 3.084 10 0 DGAELP CCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336713849 433185971 /nfs/dbraw/zinc/18/59/71/433185971.db2.gz NURPQLNRIBTTMR-QFBILLFUSA-N 2 2 312.461 3.046 10 0 DGAELP CCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000336713849 433185980 /nfs/dbraw/zinc/18/59/80/433185980.db2.gz NURPQLNRIBTTMR-QFBILLFUSA-N 2 2 312.461 3.046 10 0 DGAELP c1cn(-c2csc(C[NH2+]CCOCC3CCCC3)c2)c[nH+]1 ZINC000453579919 433214747 /nfs/dbraw/zinc/21/47/47/433214747.db2.gz FHRZBQAMVGAYPP-UHFFFAOYSA-N 2 2 305.447 3.230 10 0 DGAELP FC(F)(F)c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000447728192 433267410 /nfs/dbraw/zinc/26/74/10/433267410.db2.gz DKZTZHRGIWXWRT-UHFFFAOYSA-N 2 2 316.352 3.265 10 0 DGAELP Cc1ccc(N2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)[nH+]c1 ZINC000301392287 433534301 /nfs/dbraw/zinc/53/43/01/433534301.db2.gz HXCWZSVZVHNDQR-UHFFFAOYSA-N 2 2 309.417 3.138 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ncc[nH]1 ZINC000375839905 433588675 /nfs/dbraw/zinc/58/86/75/433588675.db2.gz NVHSLNUFJGGQIH-GUTXKFCHSA-N 2 2 304.463 3.205 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ncc[nH]1 ZINC000375839905 433588684 /nfs/dbraw/zinc/58/86/84/433588684.db2.gz NVHSLNUFJGGQIH-GUTXKFCHSA-N 2 2 304.463 3.205 10 0 DGAELP CC(C)c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301840324 433755469 /nfs/dbraw/zinc/75/54/69/433755469.db2.gz AMIRJYLLARZMCW-HNNXBMFYSA-N 2 2 302.466 3.398 10 0 DGAELP CC(C)c1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301840324 433755477 /nfs/dbraw/zinc/75/54/77/433755477.db2.gz AMIRJYLLARZMCW-HNNXBMFYSA-N 2 2 302.466 3.398 10 0 DGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000414694172 433796081 /nfs/dbraw/zinc/79/60/81/433796081.db2.gz NSNSWBXPKQFFMS-FQEVSTJZSA-N 3 2 317.521 3.204 10 0 DGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000414694172 433796096 /nfs/dbraw/zinc/79/60/96/433796096.db2.gz NSNSWBXPKQFFMS-FQEVSTJZSA-N 3 2 317.521 3.204 10 0 DGAELP CCc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302112816 433814423 /nfs/dbraw/zinc/81/44/23/433814423.db2.gz UZNZYSGYELOPRV-GOSISDBHSA-N 2 2 310.445 3.106 10 0 DGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436260956 433920726 /nfs/dbraw/zinc/92/07/26/433920726.db2.gz AMXJCQJVHWLZRI-XUVXKRRUSA-N 2 2 316.489 3.269 10 0 DGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436260956 433920739 /nfs/dbraw/zinc/92/07/39/433920739.db2.gz AMXJCQJVHWLZRI-XUVXKRRUSA-N 2 2 316.489 3.269 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)C2 ZINC000377798362 433997930 /nfs/dbraw/zinc/99/79/30/433997930.db2.gz HOADOSIIUVVINM-DNVCBOLYSA-N 2 2 304.397 3.041 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)CC2 ZINC000377798362 433997938 /nfs/dbraw/zinc/99/79/38/433997938.db2.gz HOADOSIIUVVINM-DNVCBOLYSA-N 2 2 304.397 3.041 10 0 DGAELP c1[nH]c(C2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c[nH+]1 ZINC000378340073 434145045 /nfs/dbraw/zinc/14/50/45/434145045.db2.gz GBNLSZDQBLODFH-HNNXBMFYSA-N 2 2 318.446 3.097 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)[nH+]1 ZINC000378340073 434145056 /nfs/dbraw/zinc/14/50/56/434145056.db2.gz GBNLSZDQBLODFH-HNNXBMFYSA-N 2 2 318.446 3.097 10 0 DGAELP c1coc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013952 434153057 /nfs/dbraw/zinc/15/30/57/434153057.db2.gz GCOUNPUQZPKSLR-HIFRSBDPSA-N 2 2 317.458 3.367 10 0 DGAELP c1coc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013952 434153063 /nfs/dbraw/zinc/15/30/63/434153063.db2.gz GCOUNPUQZPKSLR-HIFRSBDPSA-N 2 2 317.458 3.367 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422991914 434154865 /nfs/dbraw/zinc/15/48/65/434154865.db2.gz QLGDHXQXJGSGCY-KZNAEPCWSA-N 2 2 302.466 3.009 10 0 DGAELP CC(C)n1c[nH+]cc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000379615164 434257735 /nfs/dbraw/zinc/25/77/35/434257735.db2.gz AGJZZPKMVJYJEF-UHFFFAOYSA-N 2 2 314.477 3.464 10 0 DGAELP CC(C)n1c[nH+]cc1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000379615164 434257746 /nfs/dbraw/zinc/25/77/46/434257746.db2.gz AGJZZPKMVJYJEF-UHFFFAOYSA-N 2 2 314.477 3.464 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCCCO1 ZINC000382112814 434275807 /nfs/dbraw/zinc/27/58/07/434275807.db2.gz RMSOFIIQXPEROD-ISARSNTHSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCCCO1 ZINC000382112814 434275818 /nfs/dbraw/zinc/27/58/18/434275818.db2.gz RMSOFIIQXPEROD-ISARSNTHSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000385591495 434298171 /nfs/dbraw/zinc/29/81/71/434298171.db2.gz IQFLQZMXCGAKOJ-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)C[C@@]1(C)C[NH3+] ZINC000385591495 434298181 /nfs/dbraw/zinc/29/81/81/434298181.db2.gz IQFLQZMXCGAKOJ-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390575582 434363486 /nfs/dbraw/zinc/36/34/86/434363486.db2.gz CYUUMXRPURXKOO-OALUTQOASA-N 3 2 315.505 3.019 10 0 DGAELP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390575582 434363495 /nfs/dbraw/zinc/36/34/95/434363495.db2.gz CYUUMXRPURXKOO-OALUTQOASA-N 3 2 315.505 3.019 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225511 434348281 /nfs/dbraw/zinc/34/82/81/434348281.db2.gz GXGFXVUISBCZRR-ZYHUDNBSSA-N 2 2 315.230 3.333 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000389225511 434348293 /nfs/dbraw/zinc/34/82/93/434348293.db2.gz GXGFXVUISBCZRR-ZYHUDNBSSA-N 2 2 315.230 3.333 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000389236175 434348641 /nfs/dbraw/zinc/34/86/41/434348641.db2.gz JTOHXJXKSGDQHM-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000389236175 434348651 /nfs/dbraw/zinc/34/86/51/434348651.db2.gz JTOHXJXKSGDQHM-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCCOCc1ccccc1 ZINC000393951500 434400723 /nfs/dbraw/zinc/40/07/23/434400723.db2.gz YBZHLSVGPFDXHQ-HXUWFJFHSA-N 2 2 310.441 3.151 10 0 DGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCCOCc1ccccc1 ZINC000393951500 434400728 /nfs/dbraw/zinc/40/07/28/434400728.db2.gz YBZHLSVGPFDXHQ-HXUWFJFHSA-N 2 2 310.441 3.151 10 0 DGAELP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2Br)C1 ZINC000527670395 295113129 /nfs/dbraw/zinc/11/31/29/295113129.db2.gz OBRHWMMLZSZTQL-NEPJUHHUSA-N 2 2 317.296 3.473 10 0 DGAELP c1cnn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)cc2)c1 ZINC000527750851 295125516 /nfs/dbraw/zinc/12/55/16/295125516.db2.gz GCXRXHYDDXLLAS-FQEVSTJZSA-N 2 2 324.472 3.369 10 0 DGAELP c1cnn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)cc2)c1 ZINC000527750851 295125517 /nfs/dbraw/zinc/12/55/17/295125517.db2.gz GCXRXHYDDXLLAS-FQEVSTJZSA-N 2 2 324.472 3.369 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002781 295164608 /nfs/dbraw/zinc/16/46/08/295164608.db2.gz QXVCNDNPMIJRKR-LULLPPNCSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002781 295164609 /nfs/dbraw/zinc/16/46/09/295164609.db2.gz QXVCNDNPMIJRKR-LULLPPNCSA-N 2 2 306.494 3.188 10 0 DGAELP c1ccc(COC2CC([NH2+]CCCNc3cccc[nH+]3)C2)cc1 ZINC000491914344 434881076 /nfs/dbraw/zinc/88/10/76/434881076.db2.gz OJVXXTTVFUUFEH-UHFFFAOYSA-N 2 2 311.429 3.221 10 0 DGAELP c1c[nH+]c(C2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)[nH]1 ZINC000533484226 435239534 /nfs/dbraw/zinc/23/95/34/435239534.db2.gz SEKLTDKEZBSIPK-UHFFFAOYSA-N 2 2 319.412 3.246 10 0 DGAELP COc1nc2ccccc2cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000535083937 435318704 /nfs/dbraw/zinc/31/87/04/435318704.db2.gz QCRRXSLJOADZMC-UHFFFAOYSA-N 2 2 322.412 3.346 10 0 DGAELP [NH3+]CC1([NH+](Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000095835417 303370780 /nfs/dbraw/zinc/37/07/80/303370780.db2.gz RLBXSRVAOYGADJ-UHFFFAOYSA-N 2 2 310.441 3.197 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CCC[NH2+]C1)CCCC2 ZINC000423192891 304850452 /nfs/dbraw/zinc/85/04/52/304850452.db2.gz QCJCKZDDZJAQND-AEFFLSMTSA-N 2 2 300.446 3.121 10 0 DGAELP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc(OC2CCCC2)c1 ZINC000530176852 313334098 /nfs/dbraw/zinc/33/40/98/313334098.db2.gz DKWGPUUQTVXGGI-GOSISDBHSA-N 2 2 300.446 3.382 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1F ZINC000530529639 313381226 /nfs/dbraw/zinc/38/12/26/313381226.db2.gz ZOYIOLIFFYXJSR-CRAIPNDOSA-N 2 2 313.420 3.221 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1F ZINC000530529639 313381228 /nfs/dbraw/zinc/38/12/28/313381228.db2.gz ZOYIOLIFFYXJSR-CRAIPNDOSA-N 2 2 313.420 3.221 10 0 DGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871294 315058788 /nfs/dbraw/zinc/05/87/88/315058788.db2.gz IBSDAJDZZNDLQC-JXFKEZNVSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000562871294 315058790 /nfs/dbraw/zinc/05/87/90/315058790.db2.gz IBSDAJDZZNDLQC-JXFKEZNVSA-N 2 2 310.441 3.305 10 0 DGAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000566501200 315354058 /nfs/dbraw/zinc/35/40/58/315354058.db2.gz PHUQKPHVJRYBRW-MOPGFXCFSA-N 2 2 314.473 3.200 10 0 DGAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CC4)C2)cc1 ZINC000566501200 315354062 /nfs/dbraw/zinc/35/40/62/315354062.db2.gz PHUQKPHVJRYBRW-MOPGFXCFSA-N 2 2 314.473 3.200 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694583 323393279 /nfs/dbraw/zinc/39/32/79/323393279.db2.gz SZFVLKJMABNMKG-HOTGVXAUSA-N 2 2 304.482 3.207 10 0 DGAELP CC(C)n1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185694583 323393282 /nfs/dbraw/zinc/39/32/82/323393282.db2.gz SZFVLKJMABNMKG-HOTGVXAUSA-N 2 2 304.482 3.207 10 0 DGAELP c1ccc2c(c1)CC[C@H](C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000584487625 337349693 /nfs/dbraw/zinc/34/96/93/337349693.db2.gz MBOSBZIJNHUKLX-OXJNMPFZSA-N 2 2 308.425 3.340 10 0 DGAELP c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000584487625 337349694 /nfs/dbraw/zinc/34/96/94/337349694.db2.gz MBOSBZIJNHUKLX-OXJNMPFZSA-N 2 2 308.425 3.340 10 0 DGAELP Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc[nH+]1 ZINC000302350307 533997100 /nfs/dbraw/zinc/99/71/00/533997100.db2.gz YFONOJGBDBUQEK-GASCZTMLSA-N 2 2 312.417 3.011 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163406063 523830028 /nfs/dbraw/zinc/83/00/28/523830028.db2.gz BFTXYZOZJXBYLM-SJLPKXTDSA-N 2 2 320.477 3.235 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163406063 523830032 /nfs/dbraw/zinc/83/00/32/523830032.db2.gz BFTXYZOZJXBYLM-SJLPKXTDSA-N 2 2 320.477 3.235 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000163317840 523834161 /nfs/dbraw/zinc/83/41/61/523834161.db2.gz AKFBHLHABQHOOK-JSGCOSHPSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000163317840 523834167 /nfs/dbraw/zinc/83/41/67/523834167.db2.gz AKFBHLHABQHOOK-JSGCOSHPSA-N 2 2 314.832 3.241 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CCO1 ZINC000328648980 534815124 /nfs/dbraw/zinc/81/51/24/534815124.db2.gz UVIPGKOXCNNBEM-CUSZFKRNSA-N 2 2 303.450 3.199 10 0 DGAELP CCSCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132300305 529195354 /nfs/dbraw/zinc/19/53/54/529195354.db2.gz GKWWJPPEASVXGM-FUHWJXTLSA-N 2 2 306.519 3.425 10 0 DGAELP CCSCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132300305 529195355 /nfs/dbraw/zinc/19/53/55/529195355.db2.gz GKWWJPPEASVXGM-FUHWJXTLSA-N 2 2 306.519 3.425 10 0 DGAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673080 545676906 /nfs/dbraw/zinc/67/69/06/545676906.db2.gz HJTXQHLSVIPXQO-ZYHUDNBSSA-N 2 2 315.230 3.333 10 0 DGAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(Br)c1 ZINC000040673080 545676912 /nfs/dbraw/zinc/67/69/12/545676912.db2.gz HJTXQHLSVIPXQO-ZYHUDNBSSA-N 2 2 315.230 3.333 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000086595742 545802503 /nfs/dbraw/zinc/80/25/03/545802503.db2.gz ILZIBFYRQLAMHN-ZBFHGGJFSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000086595742 545802508 /nfs/dbraw/zinc/80/25/08/545802508.db2.gz ILZIBFYRQLAMHN-ZBFHGGJFSA-N 2 2 308.853 3.313 10 0 DGAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137076678 545983267 /nfs/dbraw/zinc/98/32/67/545983267.db2.gz HGYKRTUILRAZFJ-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137076678 545983271 /nfs/dbraw/zinc/98/32/71/545983271.db2.gz HGYKRTUILRAZFJ-NSHDSACASA-N 2 2 317.658 3.286 10 0 DGAELP Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cnn1C ZINC000192180842 546229018 /nfs/dbraw/zinc/22/90/18/546229018.db2.gz VHYKYFMEMOUSOR-AWEZNQCLSA-N 2 2 309.417 3.073 10 0 DGAELP c1coc(-c2ncc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)s2)c1 ZINC000194482394 546248099 /nfs/dbraw/zinc/24/80/99/546248099.db2.gz JJWGNPJVJQTEGZ-ZDUSSCGKSA-N 2 2 314.414 3.264 10 0 DGAELP c1coc(-c2ncc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)s2)c1 ZINC000194482394 546248107 /nfs/dbraw/zinc/24/81/07/546248107.db2.gz JJWGNPJVJQTEGZ-ZDUSSCGKSA-N 2 2 314.414 3.264 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795154 660963168 /nfs/dbraw/zinc/96/31/68/660963168.db2.gz NPKYDCWSBWYART-FUHWJXTLSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795154 660963171 /nfs/dbraw/zinc/96/31/71/660963171.db2.gz NPKYDCWSBWYART-FUHWJXTLSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795150 660963460 /nfs/dbraw/zinc/96/34/60/660963460.db2.gz NPKYDCWSBWYART-AEFFLSMTSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795150 660963461 /nfs/dbraw/zinc/96/34/61/660963461.db2.gz NPKYDCWSBWYART-AEFFLSMTSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000711747250 660962209 /nfs/dbraw/zinc/96/22/09/660962209.db2.gz RNRDYWCUZQZEMJ-AEFFLSMTSA-N 2 2 324.472 3.218 10 0 DGAELP C[C@@H]([NH2+]Cc1nccn1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711747250 660962210 /nfs/dbraw/zinc/96/22/10/660962210.db2.gz RNRDYWCUZQZEMJ-AEFFLSMTSA-N 2 2 324.472 3.218 10 0 DGAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261889436 657164144 /nfs/dbraw/zinc/16/41/44/657164144.db2.gz SOBBPLLGZPIJCD-YJBOKZPZSA-N 2 2 321.896 3.018 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000720878187 658154783 /nfs/dbraw/zinc/15/47/83/658154783.db2.gz QIGFSFMVHBVYSZ-RYUDHWBXSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000720878187 658154788 /nfs/dbraw/zinc/15/47/88/658154788.db2.gz QIGFSFMVHBVYSZ-RYUDHWBXSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000720878170 658155130 /nfs/dbraw/zinc/15/51/30/658155130.db2.gz QIGFSFMVHBVYSZ-NEPJUHHUSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1Cl ZINC000720878170 658155134 /nfs/dbraw/zinc/15/51/34/658155134.db2.gz QIGFSFMVHBVYSZ-NEPJUHHUSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000353533403 659995920 /nfs/dbraw/zinc/99/59/20/659995920.db2.gz RTVURHWKKUUXAN-SUMDDJOVSA-N 2 2 324.472 3.430 10 0 DGAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000353533403 659995923 /nfs/dbraw/zinc/99/59/23/659995923.db2.gz RTVURHWKKUUXAN-SUMDDJOVSA-N 2 2 324.472 3.430 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195252450 662181781 /nfs/dbraw/zinc/18/17/81/662181781.db2.gz UHVNOYCKAWVBBB-AWEZNQCLSA-N 2 2 311.571 3.083 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[Si](C)(C)C)C1 ZINC000195252450 662181783 /nfs/dbraw/zinc/18/17/83/662181783.db2.gz UHVNOYCKAWVBBB-AWEZNQCLSA-N 2 2 311.571 3.083 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[Si](C)(C)C)C1 ZINC000195252450 662181784 /nfs/dbraw/zinc/18/17/84/662181784.db2.gz UHVNOYCKAWVBBB-AWEZNQCLSA-N 2 2 311.571 3.083 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC000195252450 662181785 /nfs/dbraw/zinc/18/17/85/662181785.db2.gz UHVNOYCKAWVBBB-AWEZNQCLSA-N 2 2 311.571 3.083 10 0 DGAELP C=CC[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000236643162 1202616324 /nfs/dbraw/zinc/61/63/24/1202616324.db2.gz WWUBQUJEEAIAMZ-UHFFFAOYSA-N 2 2 315.280 3.251 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720866423 1096071612 /nfs/dbraw/zinc/07/16/12/1096071612.db2.gz TVOKQYZWRZOYDM-CEXWTWQISA-N 2 2 316.489 3.444 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720866423 1096071623 /nfs/dbraw/zinc/07/16/23/1096071623.db2.gz TVOKQYZWRZOYDM-CEXWTWQISA-N 2 2 316.489 3.444 10 0 DGAELP Cc1cccn2c(CN3CCCC[C@@H]([NH+]4CCCC4)C3)c[nH+]c12 ZINC000092785733 185341085 /nfs/dbraw/zinc/34/10/85/185341085.db2.gz BRUOVXGLTVASOO-QGZVFWFLSA-N 2 2 312.461 3.093 10 0 DGAELP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000191831496 186260438 /nfs/dbraw/zinc/26/04/38/186260438.db2.gz DTFZFMCBIAGNBV-KSSFIOAISA-N 2 2 322.880 3.319 10 0 DGAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000132518240 432050711 /nfs/dbraw/zinc/05/07/11/432050711.db2.gz MJBKCTLKIRHEOJ-GOEBONIOSA-N 2 2 302.809 3.296 10 0 DGAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000132518240 432050712 /nfs/dbraw/zinc/05/07/12/432050712.db2.gz MJBKCTLKIRHEOJ-GOEBONIOSA-N 2 2 302.809 3.296 10 0 DGAELP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000179670158 432066285 /nfs/dbraw/zinc/06/62/85/432066285.db2.gz HMBNUULXOQXPOX-UHFFFAOYSA-N 2 2 324.472 3.147 10 0 DGAELP CCCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300322 198845211 /nfs/dbraw/zinc/84/52/11/198845211.db2.gz MDIHQCFXMLEONZ-OAHLLOKOSA-N 2 2 304.463 3.265 10 0 DGAELP CCCc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000178300322 198845213 /nfs/dbraw/zinc/84/52/13/198845213.db2.gz MDIHQCFXMLEONZ-OAHLLOKOSA-N 2 2 304.463 3.265 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@@H+]1C ZINC000180423089 199157465 /nfs/dbraw/zinc/15/74/65/199157465.db2.gz SXSVARFTDXMOAN-TZMCWYRMSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000180423089 199157466 /nfs/dbraw/zinc/15/74/66/199157466.db2.gz SXSVARFTDXMOAN-TZMCWYRMSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423089 199157468 /nfs/dbraw/zinc/15/74/68/199157468.db2.gz SXSVARFTDXMOAN-TZMCWYRMSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2c(C3CC3)nc3sccn23)CC[NH+]1C ZINC000180423089 199157469 /nfs/dbraw/zinc/15/74/69/199157469.db2.gz SXSVARFTDXMOAN-TZMCWYRMSA-N 2 2 318.490 3.188 10 0 DGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000237318674 202229404 /nfs/dbraw/zinc/22/94/04/202229404.db2.gz NLYYVYDFZDKZSI-ZDUSSCGKSA-N 2 2 309.360 3.095 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000246100679 432094204 /nfs/dbraw/zinc/09/42/04/432094204.db2.gz IJXCSXKIMRBGOH-CVEARBPZSA-N 2 2 314.458 3.127 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)cn2)c[nH+]1 ZINC000246100679 432094207 /nfs/dbraw/zinc/09/42/07/432094207.db2.gz IJXCSXKIMRBGOH-CVEARBPZSA-N 2 2 314.458 3.127 10 0 DGAELP COc1cccc2c(N3CCC[C@H]3Cn3cc[nH+]c3C)cc[nH+]c12 ZINC000193485815 201061948 /nfs/dbraw/zinc/06/19/48/201061948.db2.gz CEDBIUKMQORYIB-HNNXBMFYSA-N 2 2 322.412 3.417 10 0 DGAELP C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900824 432101758 /nfs/dbraw/zinc/10/17/58/432101758.db2.gz IDEYJIBZURGBOJ-OXJNMPFZSA-N 2 2 321.424 3.431 10 0 DGAELP CCCn1c(C)nnc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897516 432101829 /nfs/dbraw/zinc/10/18/29/432101829.db2.gz JYDSFTGCZURMOE-CQSZACIVSA-N 2 2 324.432 3.033 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449384227 240167732 /nfs/dbraw/zinc/16/77/32/240167732.db2.gz AKBWEQQDPFVTMC-XOVFHRFOSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449384227 240167737 /nfs/dbraw/zinc/16/77/37/240167737.db2.gz AKBWEQQDPFVTMC-XOVFHRFOSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391880 240169955 /nfs/dbraw/zinc/16/99/55/240169955.db2.gz ITLXEEYCCFJZKK-NKAIQICCSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391880 240169956 /nfs/dbraw/zinc/16/99/56/240169956.db2.gz ITLXEEYCCFJZKK-NKAIQICCSA-N 2 2 322.880 3.180 10 0 DGAELP C[C@H]([NH2+]CCN1CCC(C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915311 432105037 /nfs/dbraw/zinc/10/50/37/432105037.db2.gz CFWQAWJPMZRSIA-KRWDZBQOSA-N 2 2 312.461 3.255 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091318850 193038968 /nfs/dbraw/zinc/03/89/68/193038968.db2.gz UDTKFAJOUZBEBV-OALUTQOASA-N 2 2 302.462 3.147 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000091318850 193038970 /nfs/dbraw/zinc/03/89/70/193038970.db2.gz UDTKFAJOUZBEBV-OALUTQOASA-N 2 2 302.462 3.147 10 0 DGAELP CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000246290660 432116532 /nfs/dbraw/zinc/11/65/32/432116532.db2.gz OROUMFYGNIPGOY-HIFRSBDPSA-N 2 2 304.463 3.375 10 0 DGAELP CCCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000246290660 432116535 /nfs/dbraw/zinc/11/65/35/432116535.db2.gz OROUMFYGNIPGOY-HIFRSBDPSA-N 2 2 304.463 3.375 10 0 DGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404825 193245886 /nfs/dbraw/zinc/24/58/86/193245886.db2.gz ZLBACMTYPAFJDM-SJLPKXTDSA-N 2 2 320.477 3.155 10 0 DGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404825 193245887 /nfs/dbraw/zinc/24/58/87/193245887.db2.gz ZLBACMTYPAFJDM-SJLPKXTDSA-N 2 2 320.477 3.155 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000093644375 193281455 /nfs/dbraw/zinc/28/14/55/193281455.db2.gz UHOACUQWNWMOFW-UKRRQHHQSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000093644375 193281457 /nfs/dbraw/zinc/28/14/57/193281457.db2.gz UHOACUQWNWMOFW-UKRRQHHQSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644375 193281459 /nfs/dbraw/zinc/28/14/59/193281459.db2.gz UHOACUQWNWMOFW-UKRRQHHQSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644375 193281460 /nfs/dbraw/zinc/28/14/60/193281460.db2.gz UHOACUQWNWMOFW-UKRRQHHQSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)nc1 ZINC000181379177 432125928 /nfs/dbraw/zinc/12/59/28/432125928.db2.gz FGXCRUCUEBENGG-LBPRGKRZSA-N 2 2 313.792 3.167 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246462895 432134857 /nfs/dbraw/zinc/13/48/57/432134857.db2.gz PXTZHMFLHBVSMY-ATZDWAIDSA-N 2 2 322.468 3.092 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246462895 432134859 /nfs/dbraw/zinc/13/48/59/432134859.db2.gz PXTZHMFLHBVSMY-ATZDWAIDSA-N 2 2 322.468 3.092 10 0 DGAELP Cc1cnn(CCCCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246499671 432138690 /nfs/dbraw/zinc/13/86/90/432138690.db2.gz HKYXFLJCXTWBRH-ROUUACIJSA-N 2 2 315.465 3.141 10 0 DGAELP Cc1cnn(CCCCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246499671 432138692 /nfs/dbraw/zinc/13/86/92/432138692.db2.gz HKYXFLJCXTWBRH-ROUUACIJSA-N 2 2 315.465 3.141 10 0 DGAELP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc[nH+]1 ZINC000110596413 194341829 /nfs/dbraw/zinc/34/18/29/194341829.db2.gz FCCNYUOWAOZISG-AYHJJNSGSA-N 2 2 308.429 3.393 10 0 DGAELP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc[nH+]1 ZINC000110596413 194341832 /nfs/dbraw/zinc/34/18/32/194341832.db2.gz FCCNYUOWAOZISG-AYHJJNSGSA-N 2 2 308.429 3.393 10 0 DGAELP C[NH2+]CC1CC[NH+](Cc2c(Cl)cc(C)nc2Cl)CC1 ZINC000063165827 184275001 /nfs/dbraw/zinc/27/50/01/184275001.db2.gz BFUGHMNARLBACU-UHFFFAOYSA-N 2 2 302.249 3.128 10 0 DGAELP C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000157923413 197227827 /nfs/dbraw/zinc/22/78/27/197227827.db2.gz DZIWNPVXZJOXFV-HOTGVXAUSA-N 2 2 309.417 3.198 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000342822224 254059977 /nfs/dbraw/zinc/05/99/77/254059977.db2.gz KIPKKYHOSFGPDV-HOTGVXAUSA-N 2 2 303.431 3.077 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000342822224 254059978 /nfs/dbraw/zinc/05/99/78/254059978.db2.gz KIPKKYHOSFGPDV-HOTGVXAUSA-N 2 2 303.431 3.077 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000295016207 224380760 /nfs/dbraw/zinc/38/07/60/224380760.db2.gz MPWJZWQMZYQWLY-FXAWDEMLSA-N 2 2 309.457 3.043 10 0 DGAELP Cc1cccnc1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295016207 224380762 /nfs/dbraw/zinc/38/07/62/224380762.db2.gz MPWJZWQMZYQWLY-FXAWDEMLSA-N 2 2 309.457 3.043 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616608200 400183956 /nfs/dbraw/zinc/18/39/56/400183956.db2.gz NXEYQHFWXOYALW-INIZCTEOSA-N 2 2 319.449 3.154 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616608200 400183960 /nfs/dbraw/zinc/18/39/60/400183960.db2.gz NXEYQHFWXOYALW-INIZCTEOSA-N 2 2 319.449 3.154 10 0 DGAELP Cc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000069228911 400318397 /nfs/dbraw/zinc/31/83/97/400318397.db2.gz POVLSRHKNIFBMC-AWEZNQCLSA-N 2 2 314.408 3.116 10 0 DGAELP C[NH+](C)C[C@H]1C[N@H+](CCCc2cccc3ccccc32)CCO1 ZINC000124658526 400477209 /nfs/dbraw/zinc/47/72/09/400477209.db2.gz XSANXAMRYYZHOU-IBGZPJMESA-N 2 2 312.457 3.035 10 0 DGAELP C[NH+](C)C[C@H]1C[N@@H+](CCCc2cccc3ccccc32)CCO1 ZINC000124658526 400477213 /nfs/dbraw/zinc/47/72/13/400477213.db2.gz XSANXAMRYYZHOU-IBGZPJMESA-N 2 2 312.457 3.035 10 0 DGAELP C[NH+](C)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000130232627 400535975 /nfs/dbraw/zinc/53/59/75/400535975.db2.gz RCRBKUZOIXMKTJ-UHFFFAOYSA-N 2 2 317.260 3.398 10 0 DGAELP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357996480 285938650 /nfs/dbraw/zinc/93/86/50/285938650.db2.gz RWCPCYZFMPZDSJ-GOSISDBHSA-N 2 2 301.434 3.082 10 0 DGAELP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000608076350 401180581 /nfs/dbraw/zinc/18/05/81/401180581.db2.gz ZJYNEBLOOQTDIR-SFHVURJKSA-N 2 2 307.397 3.199 10 0 DGAELP c1cn(-c2ccc(C[NH2+]Cc3cccc4c3CCOC4)cc2)c[nH+]1 ZINC000631246092 401436219 /nfs/dbraw/zinc/43/62/19/401436219.db2.gz XXAKNSWXDLCPMA-UHFFFAOYSA-N 2 2 319.408 3.235 10 0 DGAELP c1ccc(C[N@@H+]2CCCCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000631681024 401533105 /nfs/dbraw/zinc/53/31/05/401533105.db2.gz UIOMKTKDLLUPBE-IBGZPJMESA-N 2 2 302.462 3.200 10 0 DGAELP c1ccc(C[N@H+]2CCCCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000631681024 401533108 /nfs/dbraw/zinc/53/31/08/401533108.db2.gz UIOMKTKDLLUPBE-IBGZPJMESA-N 2 2 302.462 3.200 10 0 DGAELP c1cc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)cs1 ZINC000631888100 401563804 /nfs/dbraw/zinc/56/38/04/401563804.db2.gz UFKRSUHEEIPZKM-IUODEOHRSA-N 2 2 319.499 3.446 10 0 DGAELP c1cc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cs2)cs1 ZINC000631888100 401563807 /nfs/dbraw/zinc/56/38/07/401563807.db2.gz UFKRSUHEEIPZKM-IUODEOHRSA-N 2 2 319.499 3.446 10 0 DGAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000188103119 165113556 /nfs/dbraw/zinc/11/35/56/165113556.db2.gz YTEZYZVOLNXQOA-OAHLLOKOSA-N 2 2 302.466 3.233 10 0 DGAELP C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078121 165228709 /nfs/dbraw/zinc/22/87/09/165228709.db2.gz STACRJUOXXLBQZ-DNVCBOLYSA-N 2 2 313.445 3.464 10 0 DGAELP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078278 165229685 /nfs/dbraw/zinc/22/96/85/165229685.db2.gz WRWAOCZZVMFHSV-HNAYVOBHSA-N 2 2 313.445 3.464 10 0 DGAELP CC(C)c1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000194733826 165354310 /nfs/dbraw/zinc/35/43/10/165354310.db2.gz BELQWCVMNYGGBZ-CQSZACIVSA-N 2 2 306.454 3.062 10 0 DGAELP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515953 165374436 /nfs/dbraw/zinc/37/44/36/165374436.db2.gz MTMMTOLFRCFZSX-UONOGXRCSA-N 2 2 315.421 3.083 10 0 DGAELP CC(C)c1noc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000195515953 165374438 /nfs/dbraw/zinc/37/44/38/165374438.db2.gz MTMMTOLFRCFZSX-UONOGXRCSA-N 2 2 315.421 3.083 10 0 DGAELP c1ccc(OCCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645473 432154143 /nfs/dbraw/zinc/15/41/43/432154143.db2.gz MJSNVUOQDAALNP-KRWDZBQOSA-N 2 2 311.429 3.285 10 0 DGAELP c1ccc(OCCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171645473 432154146 /nfs/dbraw/zinc/15/41/46/432154146.db2.gz MJSNVUOQDAALNP-KRWDZBQOSA-N 2 2 311.429 3.285 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246911280 432180350 /nfs/dbraw/zinc/18/03/50/432180350.db2.gz PTEIOGDGDBBXAX-UONOGXRCSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246911280 432180354 /nfs/dbraw/zinc/18/03/54/432180354.db2.gz PTEIOGDGDBBXAX-UONOGXRCSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246911280 432180359 /nfs/dbraw/zinc/18/03/59/432180359.db2.gz PTEIOGDGDBBXAX-UONOGXRCSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246911280 432180362 /nfs/dbraw/zinc/18/03/62/432180362.db2.gz PTEIOGDGDBBXAX-UONOGXRCSA-N 2 2 318.440 3.110 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000247030909 432194615 /nfs/dbraw/zinc/19/46/15/432194615.db2.gz MIKOGFLSIMVQRI-DLBZAZTESA-N 2 2 319.836 3.043 10 0 DGAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)C(C)(C)C)c2cc1C ZINC000172263065 432205333 /nfs/dbraw/zinc/20/53/33/432205333.db2.gz DDXYJFBPGGGAFI-CABCVRRESA-N 2 2 303.450 3.038 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645668 227102733 /nfs/dbraw/zinc/10/27/33/227102733.db2.gz QIZRSYILQHWCLE-AAEUAGOBSA-N 2 2 302.340 3.330 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OC(F)(F)F)cc1 ZINC000154645668 227102744 /nfs/dbraw/zinc/10/27/44/227102744.db2.gz QIZRSYILQHWCLE-AAEUAGOBSA-N 2 2 302.340 3.330 10 0 DGAELP O[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180209949 228355112 /nfs/dbraw/zinc/35/51/12/228355112.db2.gz BFCYYHFWWJSUQC-FQEVSTJZSA-N 2 2 324.468 3.212 10 0 DGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261822006 263871297 /nfs/dbraw/zinc/87/12/97/263871297.db2.gz ARSMFEKALDIILY-VKJFTORMSA-N 2 2 304.478 3.402 10 0 DGAELP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000352830554 265186037 /nfs/dbraw/zinc/18/60/37/265186037.db2.gz BCXGUNIMNMURSO-WVUXNXBLSA-N 2 2 310.388 3.375 10 0 DGAELP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000352830554 265186038 /nfs/dbraw/zinc/18/60/38/265186038.db2.gz BCXGUNIMNMURSO-WVUXNXBLSA-N 2 2 310.388 3.375 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)CC[C@H]3C)c2cc1C ZINC000247474129 432233263 /nfs/dbraw/zinc/23/32/63/432233263.db2.gz JMWRFYFGEVNUHS-KBRIMQKVSA-N 2 2 315.461 3.134 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)CC[C@H]3C)c2cc1C ZINC000247474129 432233265 /nfs/dbraw/zinc/23/32/65/432233265.db2.gz JMWRFYFGEVNUHS-KBRIMQKVSA-N 2 2 315.461 3.134 10 0 DGAELP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151309362 432236503 /nfs/dbraw/zinc/23/65/03/432236503.db2.gz DPACBYZWCPDLKB-JKSUJKDBSA-N 2 2 310.507 3.272 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191259633 432241173 /nfs/dbraw/zinc/24/11/73/432241173.db2.gz VQDJXZHVRBXPEC-DGCLKSJQSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191259633 432241178 /nfs/dbraw/zinc/24/11/78/432241178.db2.gz VQDJXZHVRBXPEC-DGCLKSJQSA-N 2 2 302.871 3.163 10 0 DGAELP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CC2 ZINC000151494947 432251023 /nfs/dbraw/zinc/25/10/23/432251023.db2.gz AWDVHFDPIDMOCT-SFHVURJKSA-N 2 2 320.396 3.053 10 0 DGAELP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)CC2 ZINC000151514698 432252056 /nfs/dbraw/zinc/25/20/56/432252056.db2.gz LSQIZTCJRGHHFR-QGZVFWFLSA-N 2 2 308.360 3.184 10 0 DGAELP c1cn(-c2ncccc2C[NH2+][C@@H]2CCCc3sccc32)c[nH+]1 ZINC000151524569 432253377 /nfs/dbraw/zinc/25/33/77/432253377.db2.gz ABBYKRZBZXFCKK-OAHLLOKOSA-N 2 2 310.426 3.496 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000183096882 432257921 /nfs/dbraw/zinc/25/79/21/432257921.db2.gz FQHRYZBVVUEVMQ-UONOGXRCSA-N 2 2 309.417 3.326 10 0 DGAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCSCC1 ZINC000187005998 274510289 /nfs/dbraw/zinc/51/02/89/274510289.db2.gz LDAVHHFHLCICSV-AWEZNQCLSA-N 2 2 305.491 3.172 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000313264141 274898994 /nfs/dbraw/zinc/89/89/94/274898994.db2.gz NFEUEQFULCLNJS-AWEZNQCLSA-N 2 2 307.850 3.443 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245754114 278091635 /nfs/dbraw/zinc/09/16/35/278091635.db2.gz HJRFEQHXJNBWOZ-DZGCQCFKSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245754114 278091637 /nfs/dbraw/zinc/09/16/37/278091637.db2.gz HJRFEQHXJNBWOZ-DZGCQCFKSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245754114 278091638 /nfs/dbraw/zinc/09/16/38/278091638.db2.gz HJRFEQHXJNBWOZ-DZGCQCFKSA-N 2 2 324.900 3.113 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245754114 278091639 /nfs/dbraw/zinc/09/16/39/278091639.db2.gz HJRFEQHXJNBWOZ-DZGCQCFKSA-N 2 2 324.900 3.113 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173826 431243957 /nfs/dbraw/zinc/24/39/57/431243957.db2.gz FSDCFIDRCLEIOX-VXGBXAGGSA-N 2 2 317.260 3.431 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070173826 431243962 /nfs/dbraw/zinc/24/39/62/431243962.db2.gz FSDCFIDRCLEIOX-VXGBXAGGSA-N 2 2 317.260 3.431 10 0 DGAELP c1ccc2sc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000038090501 431855318 /nfs/dbraw/zinc/85/53/18/431855318.db2.gz RXKXEWIJZBKTGO-KGLIPLIRSA-N 2 2 301.459 3.260 10 0 DGAELP c1ccc2sc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000038090501 431855320 /nfs/dbraw/zinc/85/53/20/431855320.db2.gz RXKXEWIJZBKTGO-KGLIPLIRSA-N 2 2 301.459 3.260 10 0 DGAELP Cc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856543 /nfs/dbraw/zinc/85/65/43/431856543.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 2 314.429 3.016 10 0 DGAELP Cc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856544 /nfs/dbraw/zinc/85/65/44/431856544.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 2 314.429 3.016 10 0 DGAELP Cc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856547 /nfs/dbraw/zinc/85/65/47/431856547.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 2 314.429 3.016 10 0 DGAELP Cc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856548 /nfs/dbraw/zinc/85/65/48/431856548.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 2 314.429 3.016 10 0 DGAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561307 431909857 /nfs/dbraw/zinc/90/98/57/431909857.db2.gz JTPWDOWSHWEAIH-KLAILNCOSA-N 2 2 324.509 3.351 10 0 DGAELP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092561307 431909858 /nfs/dbraw/zinc/90/98/58/431909858.db2.gz JTPWDOWSHWEAIH-KLAILNCOSA-N 2 2 324.509 3.351 10 0 DGAELP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000128183336 431989127 /nfs/dbraw/zinc/98/91/27/431989127.db2.gz ALFRTHALVDZOBF-QZTJIDSGSA-N 2 2 312.461 3.209 10 0 DGAELP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000128183336 431989130 /nfs/dbraw/zinc/98/91/30/431989130.db2.gz ALFRTHALVDZOBF-QZTJIDSGSA-N 2 2 312.461 3.209 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127648 432270841 /nfs/dbraw/zinc/27/08/41/432270841.db2.gz OCJWJYVMTQPAPK-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127648 432270846 /nfs/dbraw/zinc/27/08/46/432270846.db2.gz OCJWJYVMTQPAPK-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127648 432270847 /nfs/dbraw/zinc/27/08/47/432270847.db2.gz OCJWJYVMTQPAPK-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)CC[C@H]21 ZINC000248127648 432270851 /nfs/dbraw/zinc/27/08/51/432270851.db2.gz OCJWJYVMTQPAPK-DZGCQCFKSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062277 432264956 /nfs/dbraw/zinc/26/49/56/432264956.db2.gz LYXZAXWHVDQXFH-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062277 432264957 /nfs/dbraw/zinc/26/49/57/432264957.db2.gz LYXZAXWHVDQXFH-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062277 432264962 /nfs/dbraw/zinc/26/49/62/432264962.db2.gz LYXZAXWHVDQXFH-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccco4)n3)CC[C@H]21 ZINC000248062277 432264965 /nfs/dbraw/zinc/26/49/65/432264965.db2.gz LYXZAXWHVDQXFH-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248795451 432318573 /nfs/dbraw/zinc/31/85/73/432318573.db2.gz JELIKIRXDJSUEU-UCLAIMLFSA-N 2 2 311.429 3.481 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000152409851 432330249 /nfs/dbraw/zinc/33/02/49/432330249.db2.gz KYFGDEWAHOCVMC-BQFCYCMXSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000152409851 432330253 /nfs/dbraw/zinc/33/02/53/432330253.db2.gz KYFGDEWAHOCVMC-BQFCYCMXSA-N 2 2 310.445 3.038 10 0 DGAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949152 432382684 /nfs/dbraw/zinc/38/26/84/432382684.db2.gz FQIQFDOMDCOSLQ-INIZCTEOSA-N 2 2 312.461 3.102 10 0 DGAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949152 432382687 /nfs/dbraw/zinc/38/26/87/432382687.db2.gz FQIQFDOMDCOSLQ-INIZCTEOSA-N 2 2 312.461 3.102 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949152 432382690 /nfs/dbraw/zinc/38/26/90/432382690.db2.gz FQIQFDOMDCOSLQ-INIZCTEOSA-N 2 2 312.461 3.102 10 0 DGAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949152 432382693 /nfs/dbraw/zinc/38/26/93/432382693.db2.gz FQIQFDOMDCOSLQ-INIZCTEOSA-N 2 2 312.461 3.102 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000184360091 432383306 /nfs/dbraw/zinc/38/33/06/432383306.db2.gz RHYZNMRZJJXFCL-ZWOKBUDYSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1cncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000184360091 432383311 /nfs/dbraw/zinc/38/33/11/432383311.db2.gz RHYZNMRZJJXFCL-ZWOKBUDYSA-N 2 2 324.472 3.346 10 0 DGAELP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000153269368 432396180 /nfs/dbraw/zinc/39/61/80/432396180.db2.gz AQBPRLZDRVUTTH-IRXDYDNUSA-N 2 2 320.477 3.093 10 0 DGAELP C[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249984055 432361668 /nfs/dbraw/zinc/36/16/68/432361668.db2.gz YZKCQGJDQXNDNT-CVEARBPZSA-N 2 2 322.880 3.098 10 0 DGAELP C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249984055 432361673 /nfs/dbraw/zinc/36/16/73/432361673.db2.gz YZKCQGJDQXNDNT-CVEARBPZSA-N 2 2 322.880 3.098 10 0 DGAELP CC(C)[NH+]1CCC([NH2+]Cc2nc3ccccc3n2C2CC2)CC1 ZINC000184776992 432432063 /nfs/dbraw/zinc/43/20/63/432432063.db2.gz VKTZRSLPCQYVNE-UHFFFAOYSA-N 2 2 312.461 3.334 10 0 DGAELP FC(F)(F)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000261785960 432451137 /nfs/dbraw/zinc/45/11/37/432451137.db2.gz FVFGXWNLQTUIQL-LLVKDONJSA-N 2 2 319.396 3.126 10 0 DGAELP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261822032 432453128 /nfs/dbraw/zinc/45/31/28/432453128.db2.gz AUPRFPRWLCWKPZ-MRXNPFEDSA-N 2 2 303.381 3.184 10 0 DGAELP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000261822032 432453129 /nfs/dbraw/zinc/45/31/29/432453129.db2.gz AUPRFPRWLCWKPZ-MRXNPFEDSA-N 2 2 303.381 3.184 10 0 DGAELP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2[nH+]1 ZINC000262681645 432498385 /nfs/dbraw/zinc/49/83/85/432498385.db2.gz WDIXAFWTODQKQN-CHWSQXEVSA-N 2 2 314.433 3.362 10 0 DGAELP CCC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[NH+](C)C ZINC000156923332 432609620 /nfs/dbraw/zinc/60/96/20/432609620.db2.gz LZIDHMFNTMJTGQ-OAHLLOKOSA-N 2 2 320.824 3.195 10 0 DGAELP FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000176983502 432572942 /nfs/dbraw/zinc/57/29/42/432572942.db2.gz KECBWCJLDJJNHZ-CYBMUJFWSA-N 2 2 310.323 3.042 10 0 DGAELP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000176983502 432572944 /nfs/dbraw/zinc/57/29/44/432572944.db2.gz KECBWCJLDJJNHZ-CYBMUJFWSA-N 2 2 310.323 3.042 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1F ZINC000178334015 432722153 /nfs/dbraw/zinc/72/21/53/432722153.db2.gz GNKMMEWLDNJNLC-HNNXBMFYSA-N 2 2 303.381 3.004 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1F ZINC000178334015 432722157 /nfs/dbraw/zinc/72/21/57/432722157.db2.gz GNKMMEWLDNJNLC-HNNXBMFYSA-N 2 2 303.381 3.004 10 0 DGAELP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000178564063 432752836 /nfs/dbraw/zinc/75/28/36/432752836.db2.gz GUZODGINUBXFAS-WMZOPIPTSA-N 2 2 320.477 3.237 10 0 DGAELP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)cc1 ZINC000178564063 432752840 /nfs/dbraw/zinc/75/28/40/432752840.db2.gz GUZODGINUBXFAS-WMZOPIPTSA-N 2 2 320.477 3.237 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000178746997 432773019 /nfs/dbraw/zinc/77/30/19/432773019.db2.gz JKMJPFYEDXKTKZ-INIZCTEOSA-N 2 2 321.428 3.108 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415454 432828801 /nfs/dbraw/zinc/82/88/01/432828801.db2.gz DGNHZVJTDIORNS-ZFWWWQNUSA-N 2 2 303.475 3.458 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415454 432828805 /nfs/dbraw/zinc/82/88/05/432828805.db2.gz DGNHZVJTDIORNS-ZFWWWQNUSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415454 432828808 /nfs/dbraw/zinc/82/88/08/432828808.db2.gz DGNHZVJTDIORNS-ZFWWWQNUSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3s2)[C@@H](C)C1 ZINC000245415454 432828811 /nfs/dbraw/zinc/82/88/11/432828811.db2.gz DGNHZVJTDIORNS-ZFWWWQNUSA-N 2 2 303.475 3.458 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445331 432832215 /nfs/dbraw/zinc/83/22/15/432832215.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 3 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445331 432832217 /nfs/dbraw/zinc/83/22/17/432832217.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 3 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445331 432832220 /nfs/dbraw/zinc/83/22/20/432832220.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 3 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000245445331 432832223 /nfs/dbraw/zinc/83/22/23/432832223.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 3 2 312.461 3.034 10 0 DGAELP CC(C)CCn1cccc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000161625017 432789676 /nfs/dbraw/zinc/78/96/76/432789676.db2.gz OFIXQSHGJYYXDK-UHFFFAOYSA-N 2 2 323.444 3.405 10 0 DGAELP Cc1cccnc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245535150 432840005 /nfs/dbraw/zinc/84/00/05/432840005.db2.gz KFIWUWXIYBWRGX-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cccnc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245535150 432840007 /nfs/dbraw/zinc/84/00/07/432840007.db2.gz KFIWUWXIYBWRGX-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cccnc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245535150 432840011 /nfs/dbraw/zinc/84/00/11/432840011.db2.gz KFIWUWXIYBWRGX-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cccnc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245535150 432840012 /nfs/dbraw/zinc/84/00/12/432840012.db2.gz KFIWUWXIYBWRGX-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163212202 432846696 /nfs/dbraw/zinc/84/66/96/432846696.db2.gz PBKCIADSAMKAPL-QWRGUYRKSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163212202 432846697 /nfs/dbraw/zinc/84/66/97/432846697.db2.gz PBKCIADSAMKAPL-QWRGUYRKSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000245626411 432851217 /nfs/dbraw/zinc/85/12/17/432851217.db2.gz PANKHSHIWKOTOF-OALUTQOASA-N 3 2 307.526 3.059 10 0 DGAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000245626411 432851220 /nfs/dbraw/zinc/85/12/20/432851220.db2.gz PANKHSHIWKOTOF-OALUTQOASA-N 3 2 307.526 3.059 10 0 DGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000245626411 432851223 /nfs/dbraw/zinc/85/12/23/432851223.db2.gz PANKHSHIWKOTOF-OALUTQOASA-N 3 2 307.526 3.059 10 0 DGAELP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000245626411 432851226 /nfs/dbraw/zinc/85/12/26/432851226.db2.gz PANKHSHIWKOTOF-OALUTQOASA-N 3 2 307.526 3.059 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000163428864 432852642 /nfs/dbraw/zinc/85/26/42/432852642.db2.gz DNTJOHJTFYUCKF-DOTOQJQBSA-N 2 2 308.853 3.028 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000163428864 432852646 /nfs/dbraw/zinc/85/26/46/432852646.db2.gz DNTJOHJTFYUCKF-DOTOQJQBSA-N 2 2 308.853 3.028 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163405945 432852759 /nfs/dbraw/zinc/85/27/59/432852759.db2.gz BFTXYZOZJXBYLM-WMZOPIPTSA-N 2 2 320.477 3.235 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000163405945 432852761 /nfs/dbraw/zinc/85/27/61/432852761.db2.gz BFTXYZOZJXBYLM-WMZOPIPTSA-N 2 2 320.477 3.235 10 0 DGAELP CCN(CC)c1ncc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000245713105 432857436 /nfs/dbraw/zinc/85/74/36/432857436.db2.gz GJWOZOAYTPZMOC-HOCLYGCPSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)s1 ZINC000245713105 432857438 /nfs/dbraw/zinc/85/74/38/432857438.db2.gz GJWOZOAYTPZMOC-HOCLYGCPSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)s1 ZINC000245713105 432857440 /nfs/dbraw/zinc/85/74/40/432857440.db2.gz GJWOZOAYTPZMOC-HOCLYGCPSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)s1 ZINC000245713105 432857442 /nfs/dbraw/zinc/85/74/42/432857442.db2.gz GJWOZOAYTPZMOC-HOCLYGCPSA-N 2 2 324.538 3.151 10 0 DGAELP COCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000336658735 433173309 /nfs/dbraw/zinc/17/33/09/433173309.db2.gz SGFRSNGTNRLZIR-SFHVURJKSA-N 2 2 302.462 3.057 10 0 DGAELP COCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000336658735 433173317 /nfs/dbraw/zinc/17/33/17/433173317.db2.gz SGFRSNGTNRLZIR-SFHVURJKSA-N 2 2 302.462 3.057 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021335 433348194 /nfs/dbraw/zinc/34/81/94/433348194.db2.gz ICPJQGKOTVEFLS-MAUKXSAKSA-N 2 2 304.478 3.336 10 0 DGAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021335 433348198 /nfs/dbraw/zinc/34/81/98/433348198.db2.gz ICPJQGKOTVEFLS-MAUKXSAKSA-N 2 2 304.478 3.336 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375673105 433525460 /nfs/dbraw/zinc/52/54/60/433525460.db2.gz OYZLDANIMJIVRD-GOSISDBHSA-N 2 2 307.401 3.241 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375673105 433525466 /nfs/dbraw/zinc/52/54/66/433525466.db2.gz OYZLDANIMJIVRD-GOSISDBHSA-N 2 2 307.401 3.241 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000370080446 293154498 /nfs/dbraw/zinc/15/44/98/293154498.db2.gz IKMBQAGDPUQZDJ-NXWXRZEISA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000370080446 293154500 /nfs/dbraw/zinc/15/45/00/293154500.db2.gz IKMBQAGDPUQZDJ-NXWXRZEISA-N 2 2 306.494 3.188 10 0 DGAELP c1nc(C2CC2)oc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449705816 433760933 /nfs/dbraw/zinc/76/09/33/433760933.db2.gz LGDZEGJTXBFILR-UHFFFAOYSA-N 2 2 303.450 3.439 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000377415527 433876865 /nfs/dbraw/zinc/87/68/65/433876865.db2.gz YODKIEPXRXXUEX-NVXWUHKLSA-N 2 2 323.440 3.259 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415527 433876874 /nfs/dbraw/zinc/87/68/74/433876874.db2.gz YODKIEPXRXXUEX-NVXWUHKLSA-N 2 2 323.440 3.259 10 0 DGAELP c1csc(-c2ncc(C[NH+]3CCC4(CC[NH2+]4)CC3)s2)c1 ZINC000422561517 433920263 /nfs/dbraw/zinc/92/02/63/433920263.db2.gz LRVXPUFPDUQXTC-UHFFFAOYSA-N 2 2 305.472 3.200 10 0 DGAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)s1 ZINC000313254143 434129123 /nfs/dbraw/zinc/12/91/23/434129123.db2.gz OJYGCDKZRDZYSY-VIFPVBQESA-N 2 2 314.252 3.137 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)CC1CCCC1 ZINC000511033864 294399794 /nfs/dbraw/zinc/39/97/94/294399794.db2.gz BGIIJLNFLCIPQF-LSTHTHJFSA-N 2 2 316.489 3.038 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CO)CC1CCCC1 ZINC000511033864 294399797 /nfs/dbraw/zinc/39/97/97/294399797.db2.gz BGIIJLNFLCIPQF-LSTHTHJFSA-N 2 2 316.489 3.038 10 0 DGAELP c1[nH]c(C2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c[nH+]1 ZINC000378340075 434147268 /nfs/dbraw/zinc/14/72/68/434147268.db2.gz GBNLSZDQBLODFH-OAHLLOKOSA-N 2 2 318.446 3.097 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)[nH+]1 ZINC000378340075 434147277 /nfs/dbraw/zinc/14/72/77/434147277.db2.gz GBNLSZDQBLODFH-OAHLLOKOSA-N 2 2 318.446 3.097 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CC[C@H](C4CCOCC4)C3)c2)c[nH+]1 ZINC000346206883 434201270 /nfs/dbraw/zinc/20/12/70/434201270.db2.gz RCMAVTGNFIKTFJ-HNNXBMFYSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CC[C@H](C4CCOCC4)C3)c2)c[nH+]1 ZINC000346206883 434201278 /nfs/dbraw/zinc/20/12/78/434201278.db2.gz RCMAVTGNFIKTFJ-HNNXBMFYSA-N 2 2 317.458 3.182 10 0 DGAELP c1cc2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2[nH]1 ZINC000322594898 434260161 /nfs/dbraw/zinc/26/01/61/434260161.db2.gz HAZHPQJVLQGOCH-UHFFFAOYSA-N 2 2 306.413 3.322 10 0 DGAELP Brc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423182731 434267312 /nfs/dbraw/zinc/26/73/12/434267312.db2.gz GYVAVTJHQDNNLV-CABCVRRESA-N 2 2 309.251 3.242 10 0 DGAELP C[N@H+](Cc1cc(Cl)cc(Cl)c1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000381357283 434271121 /nfs/dbraw/zinc/27/11/21/434271121.db2.gz GAIDAYWQCIMPLA-CQSZACIVSA-N 2 2 314.260 3.102 10 0 DGAELP C[N@@H+](Cc1cc(Cl)cc(Cl)c1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000381357283 434271132 /nfs/dbraw/zinc/27/11/32/434271132.db2.gz GAIDAYWQCIMPLA-CQSZACIVSA-N 2 2 314.260 3.102 10 0 DGAELP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232916 434299413 /nfs/dbraw/zinc/29/94/13/434299413.db2.gz JBBITOPTBKEPKY-LSDHHAIUSA-N 2 2 309.251 3.242 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)C[C@@]1(C)C[NH3+] ZINC000386230088 434308399 /nfs/dbraw/zinc/30/83/99/434308399.db2.gz AFIZQMHDISVJPO-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)C[C@@]1(C)C[NH3+] ZINC000386230088 434308406 /nfs/dbraw/zinc/30/84/06/434308406.db2.gz AFIZQMHDISVJPO-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@H]1CCC[NH2+]1)CCCC2 ZINC000423241726 434310031 /nfs/dbraw/zinc/31/00/31/434310031.db2.gz VIHLFTRSZUPPER-AEFFLSMTSA-N 2 2 300.446 3.121 10 0 DGAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000387389345 434321192 /nfs/dbraw/zinc/32/11/92/434321192.db2.gz JZNADKLREMUICA-KRWDZBQOSA-N 2 2 304.478 3.038 10 0 DGAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000387389345 434321194 /nfs/dbraw/zinc/32/11/94/434321194.db2.gz JZNADKLREMUICA-KRWDZBQOSA-N 2 2 304.478 3.038 10 0 DGAELP CC[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000397918707 434446836 /nfs/dbraw/zinc/44/68/36/434446836.db2.gz MFPCIMWNIYBGGV-AABGKKOBSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000397918707 434446844 /nfs/dbraw/zinc/44/68/44/434446844.db2.gz MFPCIMWNIYBGGV-AABGKKOBSA-N 2 2 316.489 3.446 10 0 DGAELP Cc1nccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446874 434420842 /nfs/dbraw/zinc/42/08/42/434420842.db2.gz BKHROXIFMOVMTD-OXQOHEQNSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446874 434420849 /nfs/dbraw/zinc/42/08/49/434420849.db2.gz BKHROXIFMOVMTD-OXQOHEQNSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446874 434420856 /nfs/dbraw/zinc/42/08/56/434420856.db2.gz BKHROXIFMOVMTD-OXQOHEQNSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000366446874 434420866 /nfs/dbraw/zinc/42/08/66/434420866.db2.gz BKHROXIFMOVMTD-OXQOHEQNSA-N 2 2 324.472 3.270 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398025998 434449803 /nfs/dbraw/zinc/44/98/03/434449803.db2.gz YJAFIMDCIUDFHS-IEBWSBKVSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398025998 434449812 /nfs/dbraw/zinc/44/98/12/434449812.db2.gz YJAFIMDCIUDFHS-IEBWSBKVSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H](C)O1 ZINC000398088859 434450662 /nfs/dbraw/zinc/45/06/62/434450662.db2.gz WIXYADJBPXXTTP-NEPXVJNWSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H](C)O1 ZINC000398088859 434450669 /nfs/dbraw/zinc/45/06/69/434450669.db2.gz WIXYADJBPXXTTP-NEPXVJNWSA-N 2 2 302.462 3.197 10 0 DGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398015081 434452461 /nfs/dbraw/zinc/45/24/61/434452461.db2.gz FYFQHVJZKTXLBD-QZTJIDSGSA-N 2 2 306.494 3.140 10 0 DGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398015081 434452467 /nfs/dbraw/zinc/45/24/67/434452467.db2.gz FYFQHVJZKTXLBD-QZTJIDSGSA-N 2 2 306.494 3.140 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1ccccn1 ZINC000398111887 434455238 /nfs/dbraw/zinc/45/52/38/434455238.db2.gz DIKLZDCQMNGSSO-FQEVSTJZSA-N 2 2 311.473 3.370 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1ccccn1 ZINC000398111887 434455245 /nfs/dbraw/zinc/45/52/45/434455245.db2.gz DIKLZDCQMNGSSO-FQEVSTJZSA-N 2 2 311.473 3.370 10 0 DGAELP CCCn1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405946140 434524112 /nfs/dbraw/zinc/52/41/12/434524112.db2.gz CKZHRQMIKRWNMG-IBGZPJMESA-N 2 2 312.461 3.047 10 0 DGAELP CCCn1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000405946140 434524122 /nfs/dbraw/zinc/52/41/22/434524122.db2.gz CKZHRQMIKRWNMG-IBGZPJMESA-N 2 2 312.461 3.047 10 0 DGAELP c1cn(-c2ccc(C[NH2+][C@H](c3ccccn3)C3CCC3)cn2)c[nH+]1 ZINC000527770241 295127974 /nfs/dbraw/zinc/12/79/74/295127974.db2.gz DNZWJZZJTKJAGX-IBGZPJMESA-N 2 2 319.412 3.293 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527812616 295134940 /nfs/dbraw/zinc/13/49/40/295134940.db2.gz VKYBKHRMUSTLTR-DWRORGKVSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527812616 295134941 /nfs/dbraw/zinc/13/49/41/295134941.db2.gz VKYBKHRMUSTLTR-DWRORGKVSA-N 2 2 306.494 3.188 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC[C@@H]3CCCOC3)C2)cc1 ZINC000527928557 295151963 /nfs/dbraw/zinc/15/19/63/295151963.db2.gz PKVPCCKELYADCS-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC[C@@H]3CCCOC3)C2)cc1 ZINC000527928557 295151964 /nfs/dbraw/zinc/15/19/64/295151964.db2.gz PKVPCCKELYADCS-OALUTQOASA-N 2 2 302.462 3.057 10 0 DGAELP c1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185951 434653102 /nfs/dbraw/zinc/65/31/02/434653102.db2.gz VEMVWLDOZFNIQL-HOCLYGCPSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C1CC1 ZINC000371185951 434653109 /nfs/dbraw/zinc/65/31/09/434653109.db2.gz VEMVWLDOZFNIQL-HOCLYGCPSA-N 2 2 301.434 3.001 10 0 DGAELP c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185951 434653123 /nfs/dbraw/zinc/65/31/23/434653123.db2.gz VEMVWLDOZFNIQL-HOCLYGCPSA-N 2 2 301.434 3.001 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCOCC3CCC3)C2)n2c1CCCC2 ZINC000419286339 434765230 /nfs/dbraw/zinc/76/52/30/434765230.db2.gz FIAOSHQQEGHLLM-KRWDZBQOSA-N 2 2 317.477 3.216 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CCOCC3CCC3)C2)n2c1CCCC2 ZINC000419286339 434765239 /nfs/dbraw/zinc/76/52/39/434765239.db2.gz FIAOSHQQEGHLLM-KRWDZBQOSA-N 2 2 317.477 3.216 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466407195 435076636 /nfs/dbraw/zinc/07/66/36/435076636.db2.gz AIDBTZDDWJHHLR-HPUSYDDDSA-N 2 2 316.489 3.300 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466407195 435076641 /nfs/dbraw/zinc/07/66/41/435076641.db2.gz AIDBTZDDWJHHLR-HPUSYDDDSA-N 2 2 316.489 3.300 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[NH+]1CCOCC1 ZINC000338143864 312837714 /nfs/dbraw/zinc/83/77/14/312837714.db2.gz QVYMPOLUSFTZCR-FYWRMAATSA-N 2 2 308.853 3.055 10 0 DGAELP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000546573460 314311963 /nfs/dbraw/zinc/31/19/63/314311963.db2.gz MBDHBSDAAFUGTO-DLBZAZTESA-N 2 2 302.462 3.429 10 0 DGAELP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546573460 314311966 /nfs/dbraw/zinc/31/19/66/314311966.db2.gz MBDHBSDAAFUGTO-DLBZAZTESA-N 2 2 302.462 3.429 10 0 DGAELP Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc[nH+]1 ZINC000302350309 533997878 /nfs/dbraw/zinc/99/78/78/533997878.db2.gz YFONOJGBDBUQEK-HUUCEWRRSA-N 2 2 312.417 3.011 10 0 DGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cc(F)ccc1F ZINC000163320937 522864630 /nfs/dbraw/zinc/86/46/30/522864630.db2.gz OMFGGYDRNSYYQI-RHSMWYFYSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cc(F)ccc1F ZINC000163320937 522864639 /nfs/dbraw/zinc/86/46/39/522864639.db2.gz OMFGGYDRNSYYQI-RHSMWYFYSA-N 2 2 312.404 3.116 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000163318147 523830123 /nfs/dbraw/zinc/83/01/23/523830123.db2.gz AKFBHLHABQHOOK-GXTWGEPZSA-N 2 2 314.832 3.241 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000163318147 523830128 /nfs/dbraw/zinc/83/01/28/523830128.db2.gz AKFBHLHABQHOOK-GXTWGEPZSA-N 2 2 314.832 3.241 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527398 525480195 /nfs/dbraw/zinc/48/01/95/525480195.db2.gz WLADQPCXVDTTRT-NEPJUHHUSA-N 2 2 302.340 3.330 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OC(F)(F)F ZINC000154527398 525480204 /nfs/dbraw/zinc/48/02/04/525480204.db2.gz WLADQPCXVDTTRT-NEPJUHHUSA-N 2 2 302.340 3.330 10 0 DGAELP Brc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058275 526639407 /nfs/dbraw/zinc/63/94/07/526639407.db2.gz VHZIDBGEHUOBJZ-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415058275 526639413 /nfs/dbraw/zinc/63/94/13/526639413.db2.gz VHZIDBGEHUOBJZ-ZBFHGGJFSA-N 2 2 323.278 3.413 10 0 DGAELP C/C(=C/c1ccccc1)C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328652247 527507199 /nfs/dbraw/zinc/50/71/99/527507199.db2.gz WGNCESWMGYPPKA-BYXKJISOSA-N 2 2 311.429 3.333 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177101413 546119760 /nfs/dbraw/zinc/11/97/60/546119760.db2.gz ZTKGLKGDDBLEJF-CQSZACIVSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177101413 546119762 /nfs/dbraw/zinc/11/97/62/546119762.db2.gz ZTKGLKGDDBLEJF-CQSZACIVSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177100559 546119996 /nfs/dbraw/zinc/11/99/96/546119996.db2.gz PWFIKNAFTPJXBP-HNNXBMFYSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177100559 546120000 /nfs/dbraw/zinc/12/00/00/546120000.db2.gz PWFIKNAFTPJXBP-HNNXBMFYSA-N 2 2 320.234 3.310 10 0 DGAELP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)c2O1 ZINC000188411060 546205191 /nfs/dbraw/zinc/20/51/91/546205191.db2.gz MKGVUNGIDLTTGH-KRWDZBQOSA-N 2 2 311.429 3.261 10 0 DGAELP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)c2O1 ZINC000188411060 546205195 /nfs/dbraw/zinc/20/51/95/546205195.db2.gz MKGVUNGIDLTTGH-KRWDZBQOSA-N 2 2 311.429 3.261 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448327 546304323 /nfs/dbraw/zinc/30/43/23/546304323.db2.gz FBXLKSQHCBMPTF-IFXJQAMLSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448327 546304326 /nfs/dbraw/zinc/30/43/26/546304326.db2.gz FBXLKSQHCBMPTF-IFXJQAMLSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448327 546304327 /nfs/dbraw/zinc/30/43/27/546304327.db2.gz FBXLKSQHCBMPTF-IFXJQAMLSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3nc2C)[C@@H](C)C1 ZINC000246448327 546304329 /nfs/dbraw/zinc/30/43/29/546304329.db2.gz FBXLKSQHCBMPTF-IFXJQAMLSA-N 2 2 312.461 3.100 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321966153 546472818 /nfs/dbraw/zinc/47/28/18/546472818.db2.gz JPOSFULDIXWAED-SJLPKXTDSA-N 2 2 311.429 3.306 10 0 DGAELP c1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321966153 546472824 /nfs/dbraw/zinc/47/28/24/546472824.db2.gz JPOSFULDIXWAED-SJLPKXTDSA-N 2 2 311.429 3.306 10 0 DGAELP c1cn(-c2cc(C[NH2+]Cc3ccc4ncccc4c3)ccn2)c[nH+]1 ZINC000731451310 574549939 /nfs/dbraw/zinc/54/99/39/574549939.db2.gz LLOBNYPZNCSEGC-UHFFFAOYSA-N 2 2 315.380 3.105 10 0 DGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000261821997 657116175 /nfs/dbraw/zinc/11/61/75/657116175.db2.gz ARSMFEKALDIILY-RKVPGOIHSA-N 2 2 304.478 3.402 10 0 DGAELP c1cn(-c2ccc(C[NH2+]CCOCc3ccccc3)cc2)c[nH+]1 ZINC000080244656 1197054457 /nfs/dbraw/zinc/05/44/57/1197054457.db2.gz VLQUBRUZCUELLV-UHFFFAOYSA-N 2 2 307.397 3.179 10 0 DGAELP Cc1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)sn1 ZINC000404418168 1199554742 /nfs/dbraw/zinc/55/47/42/1199554742.db2.gz PWTYIBWQRUHTKK-HNNXBMFYSA-N 2 2 303.475 3.452 10 0 DGAELP Cc1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)sn1 ZINC000404418168 1199554748 /nfs/dbraw/zinc/55/47/48/1199554748.db2.gz PWTYIBWQRUHTKK-HNNXBMFYSA-N 2 2 303.475 3.452 10 0 DGAELP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000718030947 1104486171 /nfs/dbraw/zinc/48/61/71/1104486171.db2.gz GCQVQKBQYRUJCH-VDGAXYAQSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000718030947 1104486177 /nfs/dbraw/zinc/48/61/77/1104486177.db2.gz GCQVQKBQYRUJCH-VDGAXYAQSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000718030946 1104486212 /nfs/dbraw/zinc/48/62/12/1104486212.db2.gz GCQVQKBQYRUJCH-PWIZWCRZSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCCCO1 ZINC000718030946 1104486216 /nfs/dbraw/zinc/48/62/16/1104486216.db2.gz GCQVQKBQYRUJCH-PWIZWCRZSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162950935 197603161 /nfs/dbraw/zinc/60/31/61/197603161.db2.gz DKCBCDFUYOQJOH-IUODEOHRSA-N 2 2 308.389 3.201 10 0 DGAELP Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)c(C)c(C)[nH+]2)cc1 ZINC000070456208 190896182 /nfs/dbraw/zinc/89/61/82/190896182.db2.gz KKOHSVASOUDHKA-INIZCTEOSA-N 2 2 310.445 3.480 10 0 DGAELP Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000140876887 186028755 /nfs/dbraw/zinc/02/87/55/186028755.db2.gz OTNOGKXJJCSGJW-UHFFFAOYSA-N 2 2 311.433 3.132 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000313264058 282770752 /nfs/dbraw/zinc/77/07/52/282770752.db2.gz MRWQIAQMWQQOIL-HNNXBMFYSA-N 2 2 320.234 3.002 10 0 DGAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000172771084 198147271 /nfs/dbraw/zinc/14/72/71/198147271.db2.gz WTTJQBNXTZJSBV-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000172771084 198147272 /nfs/dbraw/zinc/14/72/72/198147272.db2.gz WTTJQBNXTZJSBV-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP CCc1[nH+]c(-c2ccccc2)nc(NCC2CC[NH2+]CC2)c1C ZINC000073684266 191341664 /nfs/dbraw/zinc/34/16/64/191341664.db2.gz UYVZFVSYKYOTHS-UHFFFAOYSA-N 2 2 310.445 3.426 10 0 DGAELP CCC[C@@H](C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179900208 432073597 /nfs/dbraw/zinc/07/35/97/432073597.db2.gz PLWVFQQPJVGOJS-QGZVFWFLSA-N 2 2 303.494 3.457 10 0 DGAELP CCC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179900208 432073600 /nfs/dbraw/zinc/07/36/00/432073600.db2.gz PLWVFQQPJVGOJS-QGZVFWFLSA-N 2 2 303.494 3.457 10 0 DGAELP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000180120967 199119237 /nfs/dbraw/zinc/11/92/37/199119237.db2.gz UTSLELKOVYODIZ-QGZVFWFLSA-N 2 2 315.465 3.079 10 0 DGAELP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000180120967 199119239 /nfs/dbraw/zinc/11/92/39/199119239.db2.gz UTSLELKOVYODIZ-QGZVFWFLSA-N 2 2 315.465 3.079 10 0 DGAELP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180614802 199185184 /nfs/dbraw/zinc/18/51/84/199185184.db2.gz UJSJVXFVDVEVNW-CRAIPNDOSA-N 2 2 313.445 3.468 10 0 DGAELP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000180614802 199185186 /nfs/dbraw/zinc/18/51/86/199185186.db2.gz UJSJVXFVDVEVNW-CRAIPNDOSA-N 2 2 313.445 3.468 10 0 DGAELP O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180667008 199193299 /nfs/dbraw/zinc/19/32/99/199193299.db2.gz UQHGTDSNRPDFIX-IEBWSBKVSA-N 2 2 321.424 3.422 10 0 DGAELP O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180667008 199193301 /nfs/dbraw/zinc/19/33/01/199193301.db2.gz UQHGTDSNRPDFIX-IEBWSBKVSA-N 2 2 321.424 3.422 10 0 DGAELP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180666972 199193386 /nfs/dbraw/zinc/19/33/86/199193386.db2.gz UQHGTDSNRPDFIX-PKOBYXMFSA-N 2 2 321.424 3.422 10 0 DGAELP O[C@H](C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180666972 199193387 /nfs/dbraw/zinc/19/33/87/199193387.db2.gz UQHGTDSNRPDFIX-PKOBYXMFSA-N 2 2 321.424 3.422 10 0 DGAELP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246096328 432095311 /nfs/dbraw/zinc/09/53/11/432095311.db2.gz IYCTWFHJCZJNIE-QXZUDOESSA-N 2 2 311.429 3.488 10 0 DGAELP COc1ccccc1/C=C/C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246096328 432095315 /nfs/dbraw/zinc/09/53/15/432095315.db2.gz IYCTWFHJCZJNIE-QXZUDOESSA-N 2 2 311.429 3.488 10 0 DGAELP Cc1[nH+]c2c(n1[C@H]1CCN(c3[nH]c4ccccc4[nH+]3)C1)CCCC2 ZINC000275523424 212392178 /nfs/dbraw/zinc/39/21/78/212392178.db2.gz YGHQNHNASXEYOJ-AWEZNQCLSA-N 2 2 321.428 3.398 10 0 DGAELP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911989 432104823 /nfs/dbraw/zinc/10/48/23/432104823.db2.gz BERZHEMPHXRTEM-KRWDZBQOSA-N 3 2 312.461 3.399 10 0 DGAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796513 284070105 /nfs/dbraw/zinc/07/01/05/284070105.db2.gz DQWKIRWURLLHHB-CQSZACIVSA-N 2 2 323.400 3.331 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645013 193279919 /nfs/dbraw/zinc/27/99/19/193279919.db2.gz KVFGPPBWRWHDSS-HZPDHXFCSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@H+]1C ZINC000093645013 193279922 /nfs/dbraw/zinc/27/99/22/193279922.db2.gz KVFGPPBWRWHDSS-HZPDHXFCSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645013 193279925 /nfs/dbraw/zinc/27/99/25/193279925.db2.gz KVFGPPBWRWHDSS-HZPDHXFCSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645013 193279927 /nfs/dbraw/zinc/27/99/27/193279927.db2.gz KVFGPPBWRWHDSS-HZPDHXFCSA-N 2 2 319.468 3.340 10 0 DGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753244 193299388 /nfs/dbraw/zinc/29/93/88/193299388.db2.gz DBOQTMYVLPTZSP-MRXNPFEDSA-N 2 2 312.461 3.240 10 0 DGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753244 193299390 /nfs/dbraw/zinc/29/93/90/193299390.db2.gz DBOQTMYVLPTZSP-MRXNPFEDSA-N 2 2 312.461 3.240 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753244 193299392 /nfs/dbraw/zinc/29/93/92/193299392.db2.gz DBOQTMYVLPTZSP-MRXNPFEDSA-N 2 2 312.461 3.240 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000093753244 193299394 /nfs/dbraw/zinc/29/93/94/193299394.db2.gz DBOQTMYVLPTZSP-MRXNPFEDSA-N 2 2 312.461 3.240 10 0 DGAELP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643864 193281485 /nfs/dbraw/zinc/28/14/85/193281485.db2.gz IXCKAJKJUPDDBP-RDJZCZTQSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643864 193281487 /nfs/dbraw/zinc/28/14/87/193281487.db2.gz IXCKAJKJUPDDBP-RDJZCZTQSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643864 193281488 /nfs/dbraw/zinc/28/14/88/193281488.db2.gz IXCKAJKJUPDDBP-RDJZCZTQSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(C)C ZINC000093643864 193281490 /nfs/dbraw/zinc/28/14/90/193281490.db2.gz IXCKAJKJUPDDBP-RDJZCZTQSA-N 2 2 320.477 3.397 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643794 193281721 /nfs/dbraw/zinc/28/17/21/193281721.db2.gz GZFRBYJSOOXAEN-WCQYABFASA-N 2 2 316.367 3.342 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000093643794 193281722 /nfs/dbraw/zinc/28/17/22/193281722.db2.gz GZFRBYJSOOXAEN-WCQYABFASA-N 2 2 316.367 3.342 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643794 193281723 /nfs/dbraw/zinc/28/17/23/193281723.db2.gz GZFRBYJSOOXAEN-WCQYABFASA-N 2 2 316.367 3.342 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643794 193281724 /nfs/dbraw/zinc/28/17/24/193281724.db2.gz GZFRBYJSOOXAEN-WCQYABFASA-N 2 2 316.367 3.342 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000122867781 284227295 /nfs/dbraw/zinc/22/72/95/284227295.db2.gz DWJWIAVNUUWQHK-OAHLLOKOSA-N 2 2 313.401 3.011 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000122867781 284227297 /nfs/dbraw/zinc/22/72/97/284227297.db2.gz DWJWIAVNUUWQHK-OAHLLOKOSA-N 2 2 313.401 3.011 10 0 DGAELP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cs1 ZINC000136081341 432145954 /nfs/dbraw/zinc/14/59/54/432145954.db2.gz OHIHWANQUSNNTD-CQSZACIVSA-N 2 2 304.463 3.302 10 0 DGAELP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cs1 ZINC000136081341 432145957 /nfs/dbraw/zinc/14/59/57/432145957.db2.gz OHIHWANQUSNNTD-CQSZACIVSA-N 2 2 304.463 3.302 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181852886 432147380 /nfs/dbraw/zinc/14/73/80/432147380.db2.gz AVHFIHKRDAUOCM-HNNXBMFYSA-N 2 2 321.465 3.204 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000181852886 432147384 /nfs/dbraw/zinc/14/73/84/432147384.db2.gz AVHFIHKRDAUOCM-HNNXBMFYSA-N 2 2 321.465 3.204 10 0 DGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246597591 432147448 /nfs/dbraw/zinc/14/74/48/432147448.db2.gz ORFZCDFTZCWKHK-HZSPNIEDSA-N 2 2 317.437 3.208 10 0 DGAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246597591 432147451 /nfs/dbraw/zinc/14/74/51/432147451.db2.gz ORFZCDFTZCWKHK-HZSPNIEDSA-N 2 2 317.437 3.208 10 0 DGAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000161872967 296313154 /nfs/dbraw/zinc/31/31/54/296313154.db2.gz PANKHSHIWKOTOF-RTBURBONSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000161872967 296313156 /nfs/dbraw/zinc/31/31/56/296313156.db2.gz PANKHSHIWKOTOF-RTBURBONSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000161872967 296313158 /nfs/dbraw/zinc/31/31/58/296313158.db2.gz PANKHSHIWKOTOF-RTBURBONSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000161872967 296313160 /nfs/dbraw/zinc/31/31/60/296313160.db2.gz PANKHSHIWKOTOF-RTBURBONSA-N 3 2 307.526 3.059 10 0 DGAELP COC[C@@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000249878898 285090511 /nfs/dbraw/zinc/09/05/11/285090511.db2.gz HICXRQCAXXEPNH-RTBURBONSA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000249878898 285090513 /nfs/dbraw/zinc/09/05/13/285090513.db2.gz HICXRQCAXXEPNH-RTBURBONSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253149616 285106204 /nfs/dbraw/zinc/10/62/04/285106204.db2.gz DPRFBMULINHEHY-KBAYOESNSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253149616 285106206 /nfs/dbraw/zinc/10/62/06/285106206.db2.gz DPRFBMULINHEHY-KBAYOESNSA-N 2 2 302.462 3.369 10 0 DGAELP C[C@@H]1CC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000343504070 254152809 /nfs/dbraw/zinc/15/28/09/254152809.db2.gz CWIGWFJFQGCXSQ-MBOZVWFJSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@@H]1CC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000343504070 254152810 /nfs/dbraw/zinc/15/28/10/254152810.db2.gz CWIGWFJFQGCXSQ-MBOZVWFJSA-N 2 2 316.489 3.444 10 0 DGAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000302796110 285278958 /nfs/dbraw/zinc/27/89/58/285278958.db2.gz XBYWYWMMIWXPKL-LJQANCHMSA-N 2 2 310.441 3.373 10 0 DGAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1O ZINC000302796110 285278959 /nfs/dbraw/zinc/27/89/59/285278959.db2.gz XBYWYWMMIWXPKL-LJQANCHMSA-N 2 2 310.441 3.373 10 0 DGAELP CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356833763 285512671 /nfs/dbraw/zinc/51/26/71/285512671.db2.gz FNAPAJRUFSOPER-ZFWWWQNUSA-N 2 2 322.415 3.054 10 0 DGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000356908453 285554571 /nfs/dbraw/zinc/55/45/71/285554571.db2.gz XTTHPAFQSHMIIZ-QZTJIDSGSA-N 2 2 308.510 3.434 10 0 DGAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000399063617 400288366 /nfs/dbraw/zinc/28/83/66/400288366.db2.gz LVAWFOJASRKBTI-LLVKDONJSA-N 2 2 317.260 3.101 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428542 400295188 /nfs/dbraw/zinc/29/51/88/400295188.db2.gz GFCKRWUEIBKBKE-ZBFHGGJFSA-N 2 2 301.459 3.286 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000404428542 400295193 /nfs/dbraw/zinc/29/51/93/400295193.db2.gz GFCKRWUEIBKBKE-ZBFHGGJFSA-N 2 2 301.459 3.286 10 0 DGAELP c1ccc(N2CCC([NH2+]CC[C@H]3CNc4ccccc43)CC2)[nH+]c1 ZINC000635024275 401406338 /nfs/dbraw/zinc/40/63/38/401406338.db2.gz VQWLOYVIYLQLEA-INIZCTEOSA-N 2 2 322.456 3.239 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)c2)c[nH+]1 ZINC000631254158 401438649 /nfs/dbraw/zinc/43/86/49/401438649.db2.gz JVWBVRDRUWJXMD-SJORKVTESA-N 2 2 317.458 3.371 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886601 401563595 /nfs/dbraw/zinc/56/35/95/401563595.db2.gz KUBZLAJQYOYJQG-SWLSCSKDSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886601 401563600 /nfs/dbraw/zinc/56/36/00/401563600.db2.gz KUBZLAJQYOYJQG-SWLSCSKDSA-N 2 2 309.251 3.023 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[nH+]c2ccccn12 ZINC000364660432 287050014 /nfs/dbraw/zinc/05/00/14/287050014.db2.gz SCEBCDKGVCKDQQ-KBAYOESNSA-N 2 2 313.445 3.062 10 0 DGAELP CSCCCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000186782585 165058987 /nfs/dbraw/zinc/05/89/87/165058987.db2.gz PCFQSWQBCAMMBH-UHFFFAOYSA-N 2 2 307.507 3.169 10 0 DGAELP COc1ccc2nc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)sc2c1 ZINC000187120315 165076633 /nfs/dbraw/zinc/07/66/33/165076633.db2.gz DVURMJSWPRMEQD-CHWSQXEVSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)sc2c1 ZINC000187120315 165076636 /nfs/dbraw/zinc/07/66/36/165076636.db2.gz DVURMJSWPRMEQD-CHWSQXEVSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)sc2c1 ZINC000187120315 165076641 /nfs/dbraw/zinc/07/66/41/165076641.db2.gz DVURMJSWPRMEQD-CHWSQXEVSA-N 2 2 319.474 3.219 10 0 DGAELP COc1ccc2nc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)sc2c1 ZINC000187120315 165076646 /nfs/dbraw/zinc/07/66/46/165076646.db2.gz DVURMJSWPRMEQD-CHWSQXEVSA-N 2 2 319.474 3.219 10 0 DGAELP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187761009 165103177 /nfs/dbraw/zinc/10/31/77/165103177.db2.gz CLUHNKGVXSINRQ-QGZVFWFLSA-N 2 2 324.472 3.143 10 0 DGAELP Cc1c[nH+]ccc1NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000192498849 165294968 /nfs/dbraw/zinc/29/49/68/165294968.db2.gz UAUJNHTYRDNPGF-GASCZTMLSA-N 2 2 312.417 3.011 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190465235 432160414 /nfs/dbraw/zinc/16/04/14/432160414.db2.gz XALOBPGXSGOSKC-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190465235 432160418 /nfs/dbraw/zinc/16/04/18/432160418.db2.gz XALOBPGXSGOSKC-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190465235 432160421 /nfs/dbraw/zinc/16/04/21/432160421.db2.gz XALOBPGXSGOSKC-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000190465235 432160425 /nfs/dbraw/zinc/16/04/25/432160425.db2.gz XALOBPGXSGOSKC-CQSZACIVSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742183 432160806 /nfs/dbraw/zinc/16/08/06/432160806.db2.gz MUCZTWCOLSDKMR-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246742183 432160809 /nfs/dbraw/zinc/16/08/09/432160809.db2.gz MUCZTWCOLSDKMR-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742183 432160812 /nfs/dbraw/zinc/16/08/12/432160812.db2.gz MUCZTWCOLSDKMR-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246742183 432160814 /nfs/dbraw/zinc/16/08/14/432160814.db2.gz MUCZTWCOLSDKMR-DZGCQCFKSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccsc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190483674 432162113 /nfs/dbraw/zinc/16/21/13/432162113.db2.gz UKTFBIGARGGAOR-KRWDZBQOSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1ccsc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190483674 432162115 /nfs/dbraw/zinc/16/21/15/432162115.db2.gz UKTFBIGARGGAOR-KRWDZBQOSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1ccsc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190483674 432162117 /nfs/dbraw/zinc/16/21/17/432162117.db2.gz UKTFBIGARGGAOR-KRWDZBQOSA-N 2 2 315.486 3.405 10 0 DGAELP Cc1ccsc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190483674 432162122 /nfs/dbraw/zinc/16/21/22/432162122.db2.gz UKTFBIGARGGAOR-KRWDZBQOSA-N 2 2 315.486 3.405 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC000190483358 432163372 /nfs/dbraw/zinc/16/33/72/432163372.db2.gz WNNHPEXYUSKHQM-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC000190483358 432163376 /nfs/dbraw/zinc/16/33/76/432163376.db2.gz WNNHPEXYUSKHQM-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000190483358 432163379 /nfs/dbraw/zinc/16/33/79/432163379.db2.gz WNNHPEXYUSKHQM-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000190483358 432163382 /nfs/dbraw/zinc/16/33/82/432163382.db2.gz WNNHPEXYUSKHQM-GOSISDBHSA-N 2 2 313.420 3.175 10 0 DGAELP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1-c1ccccc1 ZINC000246855398 432174731 /nfs/dbraw/zinc/17/47/31/432174731.db2.gz SGHXKXLJJQWFIN-FXAWDEMLSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1[nH+]cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1-c1ccccc1 ZINC000246855398 432174734 /nfs/dbraw/zinc/17/47/34/432174734.db2.gz SGHXKXLJJQWFIN-FXAWDEMLSA-N 2 2 324.472 3.097 10 0 DGAELP Clc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246982464 432187119 /nfs/dbraw/zinc/18/71/19/432187119.db2.gz VXWYAGXRWJHHPA-XJKSGUPXSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246982464 432187121 /nfs/dbraw/zinc/18/71/21/432187121.db2.gz VXWYAGXRWJHHPA-XJKSGUPXSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246982464 432187124 /nfs/dbraw/zinc/18/71/24/432187124.db2.gz VXWYAGXRWJHHPA-XJKSGUPXSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246982464 432187125 /nfs/dbraw/zinc/18/71/25/432187125.db2.gz VXWYAGXRWJHHPA-XJKSGUPXSA-N 2 2 305.853 3.184 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000247052897 432196034 /nfs/dbraw/zinc/19/60/34/432196034.db2.gz NIKHCQNVTIJGKT-MAUKXSAKSA-N 2 2 315.486 3.186 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000247052897 432196038 /nfs/dbraw/zinc/19/60/38/432196038.db2.gz NIKHCQNVTIJGKT-MAUKXSAKSA-N 2 2 315.486 3.186 10 0 DGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247088399 432202410 /nfs/dbraw/zinc/20/24/10/432202410.db2.gz PGKIJZMNCQRUSB-CRAIPNDOSA-N 3 2 312.461 3.316 10 0 DGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247088399 432202415 /nfs/dbraw/zinc/20/24/15/432202415.db2.gz PGKIJZMNCQRUSB-CRAIPNDOSA-N 3 2 312.461 3.316 10 0 DGAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000130931559 196124349 /nfs/dbraw/zinc/12/43/49/196124349.db2.gz TUIVXLIMOOFXAQ-UHFFFAOYSA-N 2 2 306.479 3.468 10 0 DGAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000130931559 196124350 /nfs/dbraw/zinc/12/43/50/196124350.db2.gz TUIVXLIMOOFXAQ-UHFFFAOYSA-N 2 2 306.479 3.468 10 0 DGAELP CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131289567 196157281 /nfs/dbraw/zinc/15/72/81/196157281.db2.gz LCTUSJZDRGUQTJ-INIZCTEOSA-N 2 2 319.836 3.389 10 0 DGAELP CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CCn1cc[nH+]c1 ZINC000131289567 196157283 /nfs/dbraw/zinc/15/72/83/196157283.db2.gz LCTUSJZDRGUQTJ-INIZCTEOSA-N 2 2 319.836 3.389 10 0 DGAELP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000131467175 196171900 /nfs/dbraw/zinc/17/19/00/196171900.db2.gz HVPICAIXJYCLQV-QWRGUYRKSA-N 2 2 303.233 3.041 10 0 DGAELP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000131467175 196171902 /nfs/dbraw/zinc/17/19/02/196171902.db2.gz HVPICAIXJYCLQV-QWRGUYRKSA-N 2 2 303.233 3.041 10 0 DGAELP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172536977 432219002 /nfs/dbraw/zinc/21/90/02/432219002.db2.gz BCVHKAGUCLURBO-BEFAXECRSA-N 2 2 320.452 3.462 10 0 DGAELP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000172536977 432219006 /nfs/dbraw/zinc/21/90/06/432219006.db2.gz BCVHKAGUCLURBO-BEFAXECRSA-N 2 2 320.452 3.462 10 0 DGAELP CCc1csc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182744185 432224408 /nfs/dbraw/zinc/22/44/08/432224408.db2.gz XCRJOJYDAQKBLI-AWEZNQCLSA-N 2 2 304.463 3.172 10 0 DGAELP CCc1csc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182744185 432224411 /nfs/dbraw/zinc/22/44/11/432224411.db2.gz XCRJOJYDAQKBLI-AWEZNQCLSA-N 2 2 304.463 3.172 10 0 DGAELP Clc1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000299749314 229391379 /nfs/dbraw/zinc/39/13/79/229391379.db2.gz JXLZNNYCEZVPKT-HNNXBMFYSA-N 2 2 316.836 3.257 10 0 DGAELP Clc1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000299749314 229391382 /nfs/dbraw/zinc/39/13/82/229391382.db2.gz JXLZNNYCEZVPKT-HNNXBMFYSA-N 2 2 316.836 3.257 10 0 DGAELP CCCCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753170 432233485 /nfs/dbraw/zinc/23/34/85/432233485.db2.gz BGWHIMKAGQDNCB-UHFFFAOYSA-N 2 2 323.525 3.023 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(OC3CCCC3)c1)C2 ZINC000368082282 271133382 /nfs/dbraw/zinc/13/33/82/271133382.db2.gz UVUSVJCVVHFPDK-HNNXBMFYSA-N 2 2 311.429 3.378 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(OC3CCCC3)c1)CC2 ZINC000368082282 271133383 /nfs/dbraw/zinc/13/33/83/271133383.db2.gz UVUSVJCVVHFPDK-HNNXBMFYSA-N 2 2 311.429 3.378 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc(F)cc(F)c1 ZINC000151514597 432252907 /nfs/dbraw/zinc/25/29/07/432252907.db2.gz KOFBCIBGVMRJFH-GFCCVEGCSA-N 2 2 314.339 3.396 10 0 DGAELP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586030 274349536 /nfs/dbraw/zinc/34/95/36/274349536.db2.gz DXGPIJXWBCJNQF-OLMNPRSZSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586030 274349537 /nfs/dbraw/zinc/34/95/37/274349537.db2.gz DXGPIJXWBCJNQF-OLMNPRSZSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586030 274349538 /nfs/dbraw/zinc/34/95/38/274349538.db2.gz DXGPIJXWBCJNQF-OLMNPRSZSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000245586030 274349539 /nfs/dbraw/zinc/34/95/39/274349539.db2.gz DXGPIJXWBCJNQF-OLMNPRSZSA-N 2 2 306.425 3.072 10 0 DGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423563897 275371045 /nfs/dbraw/zinc/37/10/45/275371045.db2.gz RRBSMXICZHOOCC-ZFWWWQNUSA-N 2 2 309.251 3.168 10 0 DGAELP c1[nH+]cn2c1c(NCC1CC[NH+](C3CC3)CC1)nc1ccccc12 ZINC000624161413 429931129 /nfs/dbraw/zinc/93/11/29/429931129.db2.gz ADXGQRMBKVQVFA-UHFFFAOYSA-N 2 2 321.428 3.169 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000182150754 277083723 /nfs/dbraw/zinc/08/37/23/277083723.db2.gz HBSJJPPVYAQMSW-DEYYWGMASA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000182150754 277083725 /nfs/dbraw/zinc/08/37/25/277083725.db2.gz HBSJJPPVYAQMSW-DEYYWGMASA-N 2 2 303.450 3.024 10 0 DGAELP [NH3+][C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000108479096 431144416 /nfs/dbraw/zinc/14/44/16/431144416.db2.gz LVRFBBPCNSGUFR-OALUTQOASA-N 2 2 321.399 3.301 10 0 DGAELP [NH3+][C@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000108479096 431144420 /nfs/dbraw/zinc/14/44/20/431144420.db2.gz LVRFBBPCNSGUFR-OALUTQOASA-N 2 2 321.399 3.301 10 0 DGAELP C[NH+](C)Cc1cc(CNc2cc[nH+]c(C3CC3)n2)ccc1F ZINC000115518874 431457744 /nfs/dbraw/zinc/45/77/44/431457744.db2.gz AOGYQFQWBKMSKV-UHFFFAOYSA-N 2 2 300.381 3.167 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000116261700 431500190 /nfs/dbraw/zinc/50/01/90/431500190.db2.gz BGELJTHMDANPAF-HNNXBMFYSA-N 2 2 311.433 3.263 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000191947997 280290605 /nfs/dbraw/zinc/29/06/05/280290605.db2.gz COYPPIJUUBWPAI-OALUTQOASA-N 2 2 311.429 3.324 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000191947997 280290609 /nfs/dbraw/zinc/29/06/09/280290609.db2.gz COYPPIJUUBWPAI-OALUTQOASA-N 2 2 311.429 3.324 10 0 DGAELP Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000119517579 431701652 /nfs/dbraw/zinc/70/16/52/431701652.db2.gz OPOLEELTXFPUAZ-QGZVFWFLSA-N 2 2 320.396 3.116 10 0 DGAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000030902573 431748501 /nfs/dbraw/zinc/74/85/01/431748501.db2.gz ZCIPLASDMUCRJE-XJKSGUPXSA-N 2 2 308.385 3.274 10 0 DGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000088686646 431858535 /nfs/dbraw/zinc/85/85/35/431858535.db2.gz OXOWHBCLQBDKHE-BHYGNILZSA-N 2 2 318.461 3.227 10 0 DGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000088686646 431858537 /nfs/dbraw/zinc/85/85/37/431858537.db2.gz OXOWHBCLQBDKHE-BHYGNILZSA-N 2 2 318.461 3.227 10 0 DGAELP CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648726 431910771 /nfs/dbraw/zinc/91/07/71/431910771.db2.gz WLLVCVFJHHMDMN-UHFFFAOYSA-N 2 2 321.856 3.231 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000123989695 431880642 /nfs/dbraw/zinc/88/06/42/431880642.db2.gz VVKUWFPWZJTGMX-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000123989695 431880644 /nfs/dbraw/zinc/88/06/44/431880644.db2.gz VVKUWFPWZJTGMX-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123989695 431880646 /nfs/dbraw/zinc/88/06/46/431880646.db2.gz VVKUWFPWZJTGMX-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2coc(-c3ccc(F)cc3)n2)CC[NH+]1C ZINC000123989695 431880648 /nfs/dbraw/zinc/88/06/48/431880648.db2.gz VVKUWFPWZJTGMX-SUMWQHHRSA-N 2 2 317.408 3.395 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122606 432270423 /nfs/dbraw/zinc/27/04/23/432270423.db2.gz NOWJWKWYVBBIST-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122606 432270427 /nfs/dbraw/zinc/27/04/27/432270427.db2.gz NOWJWKWYVBBIST-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122606 432270430 /nfs/dbraw/zinc/27/04/30/432270430.db2.gz NOWJWKWYVBBIST-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)CC[C@H]21 ZINC000248122606 432270432 /nfs/dbraw/zinc/27/04/32/432270432.db2.gz NOWJWKWYVBBIST-UKRRQHHQSA-N 2 2 317.458 3.319 10 0 DGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004756 432261017 /nfs/dbraw/zinc/26/10/17/432261017.db2.gz KSQJSNLMGYPPRG-UKRRQHHQSA-N 2 2 310.388 3.204 10 0 DGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004756 432261020 /nfs/dbraw/zinc/26/10/20/432261020.db2.gz KSQJSNLMGYPPRG-UKRRQHHQSA-N 2 2 310.388 3.204 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004756 432261022 /nfs/dbraw/zinc/26/10/22/432261022.db2.gz KSQJSNLMGYPPRG-UKRRQHHQSA-N 2 2 310.388 3.204 10 0 DGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)CC[C@H]21 ZINC000248004756 432261024 /nfs/dbraw/zinc/26/10/24/432261024.db2.gz KSQJSNLMGYPPRG-UKRRQHHQSA-N 2 2 310.388 3.204 10 0 DGAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCO1 ZINC000183928307 432334933 /nfs/dbraw/zinc/33/49/33/432334933.db2.gz RTGJBDLLLMKMSK-AWEZNQCLSA-N 2 2 324.415 3.309 10 0 DGAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CCO1 ZINC000183928307 432334937 /nfs/dbraw/zinc/33/49/37/432334937.db2.gz RTGJBDLLLMKMSK-AWEZNQCLSA-N 2 2 324.415 3.309 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)s1 ZINC000183602490 432307808 /nfs/dbraw/zinc/30/78/08/432307808.db2.gz MLEPLVDIVRPDRR-MWLCHTKSSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000183602490 432307812 /nfs/dbraw/zinc/30/78/12/432307812.db2.gz MLEPLVDIVRPDRR-MWLCHTKSSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000183602490 432307815 /nfs/dbraw/zinc/30/78/15/432307815.db2.gz MLEPLVDIVRPDRR-MWLCHTKSSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)s1 ZINC000183602490 432307817 /nfs/dbraw/zinc/30/78/17/432307817.db2.gz MLEPLVDIVRPDRR-MWLCHTKSSA-N 2 2 321.412 3.385 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248737621 432314308 /nfs/dbraw/zinc/31/43/08/432314308.db2.gz OPSGGHRWQKQORK-AEFFLSMTSA-N 2 2 306.413 3.431 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248737621 432314312 /nfs/dbraw/zinc/31/43/12/432314312.db2.gz OPSGGHRWQKQORK-AEFFLSMTSA-N 2 2 306.413 3.431 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780725 432370586 /nfs/dbraw/zinc/37/05/86/432370586.db2.gz YIYQYTMLGWURAW-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780725 432370589 /nfs/dbraw/zinc/37/05/89/432370589.db2.gz YIYQYTMLGWURAW-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780725 432370592 /nfs/dbraw/zinc/37/05/92/432370592.db2.gz YIYQYTMLGWURAW-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000174780725 432370594 /nfs/dbraw/zinc/37/05/94/432370594.db2.gz YIYQYTMLGWURAW-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717129 432458447 /nfs/dbraw/zinc/45/84/47/432458447.db2.gz NWSJHQPZHGEWLB-CJNGLKHVSA-N 2 2 320.868 3.150 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717129 432458451 /nfs/dbraw/zinc/45/84/51/432458451.db2.gz NWSJHQPZHGEWLB-CJNGLKHVSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717129 432458454 /nfs/dbraw/zinc/45/84/54/432458454.db2.gz NWSJHQPZHGEWLB-CJNGLKHVSA-N 2 2 320.868 3.150 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717129 432458457 /nfs/dbraw/zinc/45/84/57/432458457.db2.gz NWSJHQPZHGEWLB-CJNGLKHVSA-N 2 2 320.868 3.150 10 0 DGAELP C(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000153482632 432413745 /nfs/dbraw/zinc/41/37/45/432413745.db2.gz NQKHOTMRXRNHDJ-IBGZPJMESA-N 3 2 307.526 3.060 10 0 DGAELP C(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000153482632 432413748 /nfs/dbraw/zinc/41/37/48/432413748.db2.gz NQKHOTMRXRNHDJ-IBGZPJMESA-N 3 2 307.526 3.060 10 0 DGAELP C=Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000194425685 432550504 /nfs/dbraw/zinc/55/05/04/432550504.db2.gz GXLSQYJQKQBAFM-LJQANCHMSA-N 2 2 310.445 3.128 10 0 DGAELP C=Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000194425685 432550509 /nfs/dbraw/zinc/55/05/09/432550509.db2.gz GXLSQYJQKQBAFM-LJQANCHMSA-N 2 2 310.445 3.128 10 0 DGAELP Cc1ccc(OCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177237874 432603059 /nfs/dbraw/zinc/60/30/59/432603059.db2.gz KVQWGEKGWSITCF-UHFFFAOYSA-N 2 2 322.412 3.087 10 0 DGAELP Cc1ccc(OCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177237874 432603061 /nfs/dbraw/zinc/60/30/61/432603061.db2.gz KVQWGEKGWSITCF-UHFFFAOYSA-N 2 2 322.412 3.087 10 0 DGAELP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178294842 432717522 /nfs/dbraw/zinc/71/75/22/432717522.db2.gz CHCVLKOTCNMGLZ-DOMZBBRYSA-N 2 2 320.462 3.020 10 0 DGAELP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000178294842 432717525 /nfs/dbraw/zinc/71/75/25/432717525.db2.gz CHCVLKOTCNMGLZ-DOMZBBRYSA-N 2 2 320.462 3.020 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413282 432828467 /nfs/dbraw/zinc/82/84/67/432828467.db2.gz BICOHTAYAVGPNZ-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413282 432828470 /nfs/dbraw/zinc/82/84/70/432828470.db2.gz BICOHTAYAVGPNZ-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413282 432828473 /nfs/dbraw/zinc/82/84/73/432828473.db2.gz BICOHTAYAVGPNZ-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000245413282 432828476 /nfs/dbraw/zinc/82/84/76/432828476.db2.gz BICOHTAYAVGPNZ-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444809 432832342 /nfs/dbraw/zinc/83/23/42/432832342.db2.gz YIYQYTMLGWURAW-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444809 432832345 /nfs/dbraw/zinc/83/23/45/432832345.db2.gz YIYQYTMLGWURAW-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444809 432832347 /nfs/dbraw/zinc/83/23/47/432832347.db2.gz YIYQYTMLGWURAW-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444809 432832350 /nfs/dbraw/zinc/83/23/50/432832350.db2.gz YIYQYTMLGWURAW-LPHOPBHVSA-N 2 2 312.461 3.034 10 0 DGAELP CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245803005 432863940 /nfs/dbraw/zinc/86/39/40/432863940.db2.gz XZYIBYODTFOANF-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245803005 432863943 /nfs/dbraw/zinc/86/39/43/432863943.db2.gz XZYIBYODTFOANF-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245803005 432863946 /nfs/dbraw/zinc/86/39/46/432863946.db2.gz XZYIBYODTFOANF-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245803005 432863947 /nfs/dbraw/zinc/86/39/47/432863947.db2.gz XZYIBYODTFOANF-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC[NH+]1CCCC1 ZINC000245866848 432866474 /nfs/dbraw/zinc/86/64/74/432866474.db2.gz LMCJDFIJTYEBSL-ZHALLVOQSA-N 2 2 302.462 3.323 10 0 DGAELP C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCC[NH+]1CCCC1 ZINC000245866848 432866475 /nfs/dbraw/zinc/86/64/75/432866475.db2.gz LMCJDFIJTYEBSL-ZHALLVOQSA-N 2 2 302.462 3.323 10 0 DGAELP COC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000446745130 433097499 /nfs/dbraw/zinc/09/74/99/433097499.db2.gz LVIMGVIEZDWDKT-IBGZPJMESA-N 2 2 313.445 3.226 10 0 DGAELP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000453385483 433140597 /nfs/dbraw/zinc/14/05/97/433140597.db2.gz NLMOQMPNKNHLEZ-QAPCUYQASA-N 2 2 313.445 3.237 10 0 DGAELP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000453385483 433140607 /nfs/dbraw/zinc/14/06/07/433140607.db2.gz NLMOQMPNKNHLEZ-QAPCUYQASA-N 2 2 313.445 3.237 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCCC3CCOCC3)C2)cc1 ZINC000361432307 433170456 /nfs/dbraw/zinc/17/04/56/433170456.db2.gz LRAGHCBIILVLGK-HXUWFJFHSA-N 2 2 316.489 3.447 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCCC3CCOCC3)C2)cc1 ZINC000361432307 433170467 /nfs/dbraw/zinc/17/04/67/433170467.db2.gz LRAGHCBIILVLGK-HXUWFJFHSA-N 2 2 316.489 3.447 10 0 DGAELP c1cn(-c2ncccc2C[NH2+]Cc2ccc3c(c2)CCCC3)c[nH+]1 ZINC000291940705 433401919 /nfs/dbraw/zinc/40/19/19/433401919.db2.gz NBDWNTRZTDBNDG-UHFFFAOYSA-N 2 2 318.424 3.436 10 0 DGAELP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc[nH+]1 ZINC000301342378 433513169 /nfs/dbraw/zinc/51/31/69/433513169.db2.gz QYSWOQGBRLTLGW-DFNIBXOVSA-N 2 2 322.456 3.417 10 0 DGAELP Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc[nH+]1 ZINC000301342378 433513181 /nfs/dbraw/zinc/51/31/81/433513181.db2.gz QYSWOQGBRLTLGW-DFNIBXOVSA-N 2 2 322.456 3.417 10 0 DGAELP Brc1cscc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370204432 293163269 /nfs/dbraw/zinc/16/32/69/293163269.db2.gz PZVOMOUQVQZNRA-VXGBXAGGSA-N 2 2 315.280 3.227 10 0 DGAELP Brc1cscc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370204432 293163271 /nfs/dbraw/zinc/16/32/71/293163271.db2.gz PZVOMOUQVQZNRA-VXGBXAGGSA-N 2 2 315.280 3.227 10 0 DGAELP Brc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000373468238 293279102 /nfs/dbraw/zinc/27/91/02/293279102.db2.gz USUYWNOYRYBMKH-UHFFFAOYSA-N 2 2 313.239 3.149 10 0 DGAELP C1C([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1[NH+]1CCCCC1 ZINC000376021784 293603539 /nfs/dbraw/zinc/60/35/39/293603539.db2.gz POOQBCPMMZKRNL-UHFFFAOYSA-N 3 2 319.537 3.390 10 0 DGAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Br ZINC000422691188 433933195 /nfs/dbraw/zinc/93/31/95/433933195.db2.gz IAHQXKWJRUCXQV-FKJOKYEKSA-N 2 2 309.251 3.383 10 0 DGAELP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000310901439 434113112 /nfs/dbraw/zinc/11/31/12/434113112.db2.gz MWGABBYXEZNTPI-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)C[C@@]1(C)C[NH3+] ZINC000310901439 434113124 /nfs/dbraw/zinc/11/31/24/434113124.db2.gz MWGABBYXEZNTPI-QMTHXVAHSA-N 2 2 315.230 3.005 10 0 DGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cc(Br)cs1 ZINC000313254157 434128887 /nfs/dbraw/zinc/12/88/87/434128887.db2.gz OMCXBRQPSPJIPV-SECBINFHSA-N 2 2 314.252 3.137 10 0 DGAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CC=CCC3)CCC[NH+]2C)cn1 ZINC000328652364 434297554 /nfs/dbraw/zinc/29/75/54/434297554.db2.gz WKFKVMWMUDOGHM-ZIFCJYIRSA-N 2 2 316.493 3.091 10 0 DGAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CC=CCC3)CCC[NH+]2C)cn1 ZINC000328652364 434297561 /nfs/dbraw/zinc/29/75/61/434297561.db2.gz WKFKVMWMUDOGHM-ZIFCJYIRSA-N 2 2 316.493 3.091 10 0 DGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CC=CCC3)CCC[N@@H+]2C)cn1 ZINC000328652364 434297569 /nfs/dbraw/zinc/29/75/69/434297569.db2.gz WKFKVMWMUDOGHM-ZIFCJYIRSA-N 2 2 316.493 3.091 10 0 DGAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CC=CCC3)CCC[N@H+]2C)cn1 ZINC000328652364 434297579 /nfs/dbraw/zinc/29/75/79/434297579.db2.gz WKFKVMWMUDOGHM-ZIFCJYIRSA-N 2 2 316.493 3.091 10 0 DGAELP CC(C)c1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000450663831 434324978 /nfs/dbraw/zinc/32/49/78/434324978.db2.gz YPEOOXDOBHOAEO-UHFFFAOYSA-N 2 2 310.511 3.215 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397873140 434447243 /nfs/dbraw/zinc/44/72/43/434447243.db2.gz IYQXKUNCLCSEHG-MSOLQXFVSA-N 2 2 304.503 3.384 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000397873140 434447251 /nfs/dbraw/zinc/44/72/51/434447251.db2.gz IYQXKUNCLCSEHG-MSOLQXFVSA-N 2 2 304.503 3.384 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000353753777 434400817 /nfs/dbraw/zinc/40/08/17/434400817.db2.gz PGEHZXDQNCMSGF-LJQANCHMSA-N 2 2 311.429 3.265 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)cc2)c[nH+]1 ZINC000353753777 434400825 /nfs/dbraw/zinc/40/08/25/434400825.db2.gz PGEHZXDQNCMSGF-LJQANCHMSA-N 2 2 311.429 3.265 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398025994 434449247 /nfs/dbraw/zinc/44/92/47/434449247.db2.gz YJAFIMDCIUDFHS-HKUYNNGSSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398025994 434449253 /nfs/dbraw/zinc/44/92/53/434449253.db2.gz YJAFIMDCIUDFHS-HKUYNNGSSA-N 3 2 303.494 3.148 10 0 DGAELP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015884 295167373 /nfs/dbraw/zinc/16/73/73/295167373.db2.gz ZNLNOHMSLYJFQV-GOSISDBHSA-N 2 2 306.494 3.332 10 0 DGAELP C([NH2+]C1CCC2(CCOCC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015884 295167375 /nfs/dbraw/zinc/16/73/75/295167375.db2.gz ZNLNOHMSLYJFQV-GOSISDBHSA-N 2 2 306.494 3.332 10 0 DGAELP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000459661089 434650210 /nfs/dbraw/zinc/65/02/10/434650210.db2.gz PSGVPCIGIULUPT-LJQANCHMSA-N 3 2 320.440 3.089 10 0 DGAELP c1[nH+]cn2cc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000459661089 434650216 /nfs/dbraw/zinc/65/02/16/434650216.db2.gz PSGVPCIGIULUPT-LJQANCHMSA-N 3 2 320.440 3.089 10 0 DGAELP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472579336 435141045 /nfs/dbraw/zinc/14/10/45/435141045.db2.gz IKCDEWCXEZBRTE-LJQANCHMSA-N 3 2 309.542 3.306 10 0 DGAELP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472579336 435141049 /nfs/dbraw/zinc/14/10/49/435141049.db2.gz IKCDEWCXEZBRTE-LJQANCHMSA-N 3 2 309.542 3.306 10 0 DGAELP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC4CCC3CC4)CC2)nc1 ZINC000516467453 435530228 /nfs/dbraw/zinc/53/02/28/435530228.db2.gz NGYOKXFYXWPSGT-ABHNRTSZSA-N 2 2 313.489 3.462 10 0 DGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000517104407 435575656 /nfs/dbraw/zinc/57/56/56/435575656.db2.gz JYMAIXHXIZLQEM-OTWHNJEPSA-N 2 2 302.462 3.466 10 0 DGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530224176 313343258 /nfs/dbraw/zinc/34/32/58/313343258.db2.gz VAKSGMZXMCNJTQ-LSDHHAIUSA-N 2 2 321.262 3.311 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000547272294 314352389 /nfs/dbraw/zinc/35/23/89/314352389.db2.gz YQUPDAVREQYXHL-UHFFFAOYSA-N 2 2 309.251 3.191 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000547272294 314352391 /nfs/dbraw/zinc/35/23/91/314352391.db2.gz YQUPDAVREQYXHL-UHFFFAOYSA-N 2 2 309.251 3.191 10 0 DGAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCC34CC4)CC2)cc1 ZINC000575816660 316065542 /nfs/dbraw/zinc/06/55/42/316065542.db2.gz UOVYXALNSQHRHT-IBGZPJMESA-N 2 2 313.489 3.121 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@@H+]1C ZINC000183096253 323325165 /nfs/dbraw/zinc/32/51/65/323325165.db2.gz ZJUKGXDMRVYDDT-MAUKXSAKSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2C2CCCCC2)CC[N@H+]1C ZINC000183096253 323325169 /nfs/dbraw/zinc/32/51/69/323325169.db2.gz ZJUKGXDMRVYDDT-MAUKXSAKSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096253 323325172 /nfs/dbraw/zinc/32/51/72/323325172.db2.gz ZJUKGXDMRVYDDT-MAUKXSAKSA-N 2 2 318.509 3.382 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2C2CCCCC2)CC[NH+]1C ZINC000183096253 323325177 /nfs/dbraw/zinc/32/51/77/323325177.db2.gz ZJUKGXDMRVYDDT-MAUKXSAKSA-N 2 2 318.509 3.382 10 0 DGAELP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(OC)cc1 ZINC000163292186 521161845 /nfs/dbraw/zinc/16/18/45/521161845.db2.gz IFDMFNKUTWIQNS-MJGOQNOKSA-N 2 2 320.477 3.237 10 0 DGAELP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(OC)cc1 ZINC000163292186 521161850 /nfs/dbraw/zinc/16/18/50/521161850.db2.gz IFDMFNKUTWIQNS-MJGOQNOKSA-N 2 2 320.477 3.237 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000163301573 527394789 /nfs/dbraw/zinc/39/47/89/527394789.db2.gz BRVDINUCQKKAOM-OAHLLOKOSA-N 2 2 305.447 3.107 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000163301573 527394797 /nfs/dbraw/zinc/39/47/97/527394797.db2.gz BRVDINUCQKKAOM-OAHLLOKOSA-N 2 2 305.447 3.107 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720133 546113277 /nfs/dbraw/zinc/11/32/77/546113277.db2.gz FBXLKSQHCBMPTF-AUUYWEPGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720133 546113280 /nfs/dbraw/zinc/11/32/80/546113280.db2.gz FBXLKSQHCBMPTF-AUUYWEPGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720133 546113284 /nfs/dbraw/zinc/11/32/84/546113284.db2.gz FBXLKSQHCBMPTF-AUUYWEPGSA-N 2 2 312.461 3.100 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3nc2C)[C@H](C)C1 ZINC000175720133 546113292 /nfs/dbraw/zinc/11/32/92/546113292.db2.gz FBXLKSQHCBMPTF-AUUYWEPGSA-N 2 2 312.461 3.100 10 0 DGAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1noc2c1CCCC2 ZINC000191503894 546224911 /nfs/dbraw/zinc/22/49/11/546224911.db2.gz QVKUEKFZVXRYDA-UHFFFAOYSA-N 2 2 316.449 3.225 10 0 DGAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1noc2c1CCCC2 ZINC000191503894 546224914 /nfs/dbraw/zinc/22/49/14/546224914.db2.gz QVKUEKFZVXRYDA-UHFFFAOYSA-N 2 2 316.449 3.225 10 0 DGAELP Brc1cscc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000285538855 546397461 /nfs/dbraw/zinc/39/74/61/546397461.db2.gz SZLATGPNZMYEQQ-UHFFFAOYSA-N 2 2 315.280 3.227 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000389848585 546752910 /nfs/dbraw/zinc/75/29/10/546752910.db2.gz SKVRRUKMANVRMS-IPHXSNPTSA-N 2 2 321.468 3.366 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000389848585 546752916 /nfs/dbraw/zinc/75/29/16/546752916.db2.gz SKVRRUKMANVRMS-IPHXSNPTSA-N 2 2 321.468 3.366 10 0 DGAELP Cc1ccccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151106491 620423374 /nfs/dbraw/zinc/42/33/74/620423374.db2.gz OORVVVRTLGZPMU-KRWDZBQOSA-N 2 2 311.429 3.203 10 0 DGAELP Cc1ccccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151106491 620423375 /nfs/dbraw/zinc/42/33/75/620423375.db2.gz OORVVVRTLGZPMU-KRWDZBQOSA-N 2 2 311.429 3.203 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795157 660963448 /nfs/dbraw/zinc/96/34/48/660963448.db2.gz NPKYDCWSBWYART-SJLPKXTDSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795157 660963451 /nfs/dbraw/zinc/96/34/51/660963451.db2.gz NPKYDCWSBWYART-SJLPKXTDSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720878787 658154489 /nfs/dbraw/zinc/15/44/89/658154489.db2.gz UDGICWMWFZCLTN-CDMKHQONSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720878787 658154498 /nfs/dbraw/zinc/15/44/98/658154498.db2.gz UDGICWMWFZCLTN-CDMKHQONSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000157010240 658976350 /nfs/dbraw/zinc/97/63/50/658976350.db2.gz VBTQLTOFSSUHCN-QWRGUYRKSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000157010240 658976356 /nfs/dbraw/zinc/97/63/56/658976356.db2.gz VBTQLTOFSSUHCN-QWRGUYRKSA-N 2 2 315.230 3.147 10 0 DGAELP c1[nH]nc2c1[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000353443941 659982602 /nfs/dbraw/zinc/98/26/02/659982602.db2.gz DZAXXCLTOCEKLV-LJQANCHMSA-N 2 2 324.472 3.084 10 0 DGAELP C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189883543 661994993 /nfs/dbraw/zinc/99/49/93/661994993.db2.gz DMSWBMVJTVDWQY-HNAYVOBHSA-N 2 2 307.397 3.257 10 0 DGAELP CCCCOC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189898570 661995932 /nfs/dbraw/zinc/99/59/32/661995932.db2.gz KYHGOJFICGSKPW-OAHLLOKOSA-N 2 2 315.417 3.256 10 0 DGAELP C[N@H+](CCC(=O)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383305916 685166599 /nfs/dbraw/zinc/16/65/99/685166599.db2.gz FCGCOBPSJBYEFN-GOSISDBHSA-N 2 2 316.489 3.446 10 0 DGAELP C[N@@H+](CCC(=O)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383305916 685166602 /nfs/dbraw/zinc/16/66/02/685166602.db2.gz FCGCOBPSJBYEFN-GOSISDBHSA-N 2 2 316.489 3.446 10 0 DGAELP C[NH+](CCC(=O)C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383305916 685166605 /nfs/dbraw/zinc/16/66/05/685166605.db2.gz FCGCOBPSJBYEFN-GOSISDBHSA-N 2 2 316.489 3.446 10 0 DGAELP C[NH+](CCC(=O)C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383305916 685166610 /nfs/dbraw/zinc/16/66/10/685166610.db2.gz FCGCOBPSJBYEFN-GOSISDBHSA-N 2 2 316.489 3.446 10 0 DGAELP C[N@H+](CCC(=O)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383305920 685166834 /nfs/dbraw/zinc/16/68/34/685166834.db2.gz FCGCOBPSJBYEFN-SFHVURJKSA-N 2 2 316.489 3.446 10 0 DGAELP C[N@@H+](CCC(=O)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383305920 685166835 /nfs/dbraw/zinc/16/68/35/685166835.db2.gz FCGCOBPSJBYEFN-SFHVURJKSA-N 2 2 316.489 3.446 10 0 DGAELP C[NH+](CCC(=O)C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383305920 685166836 /nfs/dbraw/zinc/16/68/36/685166836.db2.gz FCGCOBPSJBYEFN-SFHVURJKSA-N 2 2 316.489 3.446 10 0 DGAELP C[NH+](CCC(=O)C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383305920 685166837 /nfs/dbraw/zinc/16/68/37/685166837.db2.gz FCGCOBPSJBYEFN-SFHVURJKSA-N 2 2 316.489 3.446 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(O)CC1 ZINC000379682379 1176816541 /nfs/dbraw/zinc/81/65/41/1176816541.db2.gz XCJAPEGIAXNAEV-UHFFFAOYSA-N 2 2 304.478 3.038 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC(O)CC1 ZINC000379682379 1176816557 /nfs/dbraw/zinc/81/65/57/1176816557.db2.gz XCJAPEGIAXNAEV-UHFFFAOYSA-N 2 2 304.478 3.038 10 0 DGAELP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000078847508 1196803150 /nfs/dbraw/zinc/80/31/50/1196803150.db2.gz YAQCPDQJLGHMCA-UHFFFAOYSA-N 2 2 303.381 3.211 10 0 DGAELP CCc1cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000379681927 1197704220 /nfs/dbraw/zinc/70/42/20/1197704220.db2.gz UWLSCQOQFCEZIN-IBGZPJMESA-N 2 2 324.472 3.236 10 0 DGAELP CCc1cc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000379681927 1197704223 /nfs/dbraw/zinc/70/42/23/1197704223.db2.gz UWLSCQOQFCEZIN-IBGZPJMESA-N 2 2 324.472 3.236 10 0 DGAELP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c(F)c1 ZINC000303798682 1199599996 /nfs/dbraw/zinc/59/99/96/1199599996.db2.gz MRMPKUNVSOYVLB-UHFFFAOYSA-N 2 2 316.420 3.446 10 0 DGAELP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(F)c1 ZINC000303798682 1199600008 /nfs/dbraw/zinc/60/00/08/1199600008.db2.gz MRMPKUNVSOYVLB-UHFFFAOYSA-N 2 2 316.420 3.446 10 0 DGAELP Cc1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)o1 ZINC000716681078 1100575595 /nfs/dbraw/zinc/57/55/95/1100575595.db2.gz KHEREFUVAVSHKV-KSZLIROESA-N 2 2 311.429 3.126 10 0 DGAELP Cc1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)o1 ZINC000716681078 1100575600 /nfs/dbraw/zinc/57/56/00/1100575600.db2.gz KHEREFUVAVSHKV-KSZLIROESA-N 2 2 311.429 3.126 10 0 DGAELP c1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccncc2)cc1 ZINC000322353294 231209463 /nfs/dbraw/zinc/20/94/63/231209463.db2.gz GAXZXNFEWAGJIF-UFYCRDLUSA-N 2 2 307.441 3.387 10 0 DGAELP c1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccncc2)cc1 ZINC000322353294 231209466 /nfs/dbraw/zinc/20/94/66/231209466.db2.gz GAXZXNFEWAGJIF-UFYCRDLUSA-N 2 2 307.441 3.387 10 0 DGAELP CCc1cc(NC2CCN(c3ccc(C)c[nH+]3)CC2)nc(C)[nH+]1 ZINC000302051544 529554175 /nfs/dbraw/zinc/55/41/75/529554175.db2.gz OCBGJUVNWBDYRX-UHFFFAOYSA-N 2 2 311.433 3.132 10 0 DGAELP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328627433 529794259 /nfs/dbraw/zinc/79/42/59/529794259.db2.gz GDELRTFOLXBCOU-ACRUOGEOSA-N 2 2 321.468 3.222 10 0 DGAELP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328627433 529794260 /nfs/dbraw/zinc/79/42/60/529794260.db2.gz GDELRTFOLXBCOU-ACRUOGEOSA-N 2 2 321.468 3.222 10 0 DGAELP CSCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000133716858 186009599 /nfs/dbraw/zinc/00/95/99/186009599.db2.gz GSQRPLCSKRMXHD-WBVHZDCISA-N 2 2 307.507 3.025 10 0 DGAELP CSCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000133716858 186009601 /nfs/dbraw/zinc/00/96/01/186009601.db2.gz GSQRPLCSKRMXHD-WBVHZDCISA-N 2 2 307.507 3.025 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccn(C(C)C)n3)C2)[nH+]1 ZINC000172013286 198025496 /nfs/dbraw/zinc/02/54/96/198025496.db2.gz HGRUFRMOZAPPKX-MRXNPFEDSA-N 2 2 313.449 3.101 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccn(C(C)C)n3)C2)[nH+]1 ZINC000172013286 198025498 /nfs/dbraw/zinc/02/54/98/198025498.db2.gz HGRUFRMOZAPPKX-MRXNPFEDSA-N 2 2 313.449 3.101 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)[nH+]1 ZINC000173780065 198250712 /nfs/dbraw/zinc/25/07/12/198250712.db2.gz FVLADLMAXFUDEB-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP c1cn(-c2ccc(CN3CCCC[C@H]([NH+]4CCCC4)C3)cc2)c[nH+]1 ZINC000107697241 432037115 /nfs/dbraw/zinc/03/71/15/432037115.db2.gz WUMYMMQNWLHFDR-FQEVSTJZSA-N 2 2 324.472 3.323 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCN(C)c2ccccc2)C1 ZINC000131504099 432041184 /nfs/dbraw/zinc/04/11/84/432041184.db2.gz CDMKZYFHMFOPBS-GOSISDBHSA-N 2 2 312.461 3.219 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000131504099 432041188 /nfs/dbraw/zinc/04/11/88/432041188.db2.gz CDMKZYFHMFOPBS-GOSISDBHSA-N 2 2 312.461 3.219 10 0 DGAELP C[C@H]([NH2+]CCOCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657110 432094553 /nfs/dbraw/zinc/09/45/53/432094553.db2.gz XHCTULUGSPJXSH-LBPRGKRZSA-N 2 2 313.323 3.102 10 0 DGAELP c1cn(C[C@@H]2CCC[N@H+]2CCSCc2ccccc2)c[nH+]1 ZINC000193918650 201144426 /nfs/dbraw/zinc/14/44/26/201144426.db2.gz WNOLLSCOMXVREH-KRWDZBQOSA-N 2 2 301.459 3.281 10 0 DGAELP c1cn(C[C@@H]2CCC[N@@H+]2CCSCc2ccccc2)c[nH+]1 ZINC000193918650 201144430 /nfs/dbraw/zinc/14/44/30/201144430.db2.gz WNOLLSCOMXVREH-KRWDZBQOSA-N 2 2 301.459 3.281 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@@H+]1C ZINC000194412850 201220828 /nfs/dbraw/zinc/22/08/28/201220828.db2.gz DEKLYUMNEPOZNT-STQMWFEESA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(-c3ccco3)s2)CC[N@H+]1C ZINC000194412850 201220831 /nfs/dbraw/zinc/22/08/31/201220831.db2.gz DEKLYUMNEPOZNT-STQMWFEESA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412850 201220834 /nfs/dbraw/zinc/22/08/34/201220834.db2.gz DEKLYUMNEPOZNT-STQMWFEESA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(-c3ccco3)s2)CC[NH+]1C ZINC000194412850 201220837 /nfs/dbraw/zinc/22/08/37/201220837.db2.gz DEKLYUMNEPOZNT-STQMWFEESA-N 2 2 305.447 3.318 10 0 DGAELP Clc1ncccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171081716 432102152 /nfs/dbraw/zinc/10/21/52/432102152.db2.gz SSZAFENBXAXYFI-ZDUSSCGKSA-N 2 2 302.809 3.064 10 0 DGAELP Clc1ncccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171081716 432102154 /nfs/dbraw/zinc/10/21/54/432102154.db2.gz SSZAFENBXAXYFI-ZDUSSCGKSA-N 2 2 302.809 3.064 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391883 240171299 /nfs/dbraw/zinc/17/12/99/240171299.db2.gz ITLXEEYCCFJZKK-XOVFHRFOSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391883 240171300 /nfs/dbraw/zinc/17/13/00/240171300.db2.gz ITLXEEYCCFJZKK-XOVFHRFOSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398262 240173404 /nfs/dbraw/zinc/17/34/04/240173404.db2.gz UFCYSECBCUXJDW-NKAIQICCSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398262 240173410 /nfs/dbraw/zinc/17/34/10/240173410.db2.gz UFCYSECBCUXJDW-NKAIQICCSA-N 2 2 322.880 3.180 10 0 DGAELP Brc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1 ZINC000091264031 193027875 /nfs/dbraw/zinc/02/78/75/193027875.db2.gz IWHRDVYWRGDJQA-OAHLLOKOSA-N 2 2 320.234 3.387 10 0 DGAELP CCN(CC)c1ncc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000093638580 193279362 /nfs/dbraw/zinc/27/93/62/193279362.db2.gz GJWOZOAYTPZMOC-GDBMZVCRSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)s1 ZINC000093638580 193279363 /nfs/dbraw/zinc/27/93/63/193279363.db2.gz GJWOZOAYTPZMOC-GDBMZVCRSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)s1 ZINC000093638580 193279365 /nfs/dbraw/zinc/27/93/65/193279365.db2.gz GJWOZOAYTPZMOC-GDBMZVCRSA-N 2 2 324.538 3.151 10 0 DGAELP CCN(CC)c1ncc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000093638580 193279367 /nfs/dbraw/zinc/27/93/67/193279367.db2.gz GJWOZOAYTPZMOC-GDBMZVCRSA-N 2 2 324.538 3.151 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280915 /nfs/dbraw/zinc/28/09/15/193280915.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280917 /nfs/dbraw/zinc/28/09/17/193280917.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280918 /nfs/dbraw/zinc/28/09/18/193280918.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280920 /nfs/dbraw/zinc/28/09/20/193280920.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280921 /nfs/dbraw/zinc/28/09/21/193280921.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 2 2 312.461 3.095 10 0 DGAELP Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1-c1ccccc1 ZINC000093644365 193280923 /nfs/dbraw/zinc/28/09/23/193280923.db2.gz LXVFFFXXDBSYTF-CRAIPNDOSA-N 2 2 312.461 3.095 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000093644466 193281093 /nfs/dbraw/zinc/28/10/93/193281093.db2.gz ANXXWZAZTZOPKH-SUMWQHHRSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000093644466 193281095 /nfs/dbraw/zinc/28/10/95/193281095.db2.gz ANXXWZAZTZOPKH-SUMWQHHRSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644466 193281097 /nfs/dbraw/zinc/28/10/97/193281097.db2.gz ANXXWZAZTZOPKH-SUMWQHHRSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644466 193281099 /nfs/dbraw/zinc/28/10/99/193281099.db2.gz ANXXWZAZTZOPKH-SUMWQHHRSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@](C[NH3+])(CCc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000019807747 182152464 /nfs/dbraw/zinc/15/24/64/182152464.db2.gz OVGSGGUQFCIJDZ-GOSISDBHSA-N 2 2 300.471 3.456 10 0 DGAELP C[C@](C[NH3+])(CCc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000019807747 182152467 /nfs/dbraw/zinc/15/24/67/182152467.db2.gz OVGSGGUQFCIJDZ-GOSISDBHSA-N 2 2 300.471 3.456 10 0 DGAELP C[C@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1cccc(Br)c1 ZINC000019946520 182168557 /nfs/dbraw/zinc/16/85/57/182168557.db2.gz AAEQZVYXIKAPBJ-NHYWBVRUSA-N 2 2 309.251 3.194 10 0 DGAELP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OCC ZINC000020933488 182255123 /nfs/dbraw/zinc/25/51/23/182255123.db2.gz QFGYULRRZKHSRD-UHFFFAOYSA-N 2 2 317.433 3.251 10 0 DGAELP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CC2 ZINC000494412945 246144499 /nfs/dbraw/zinc/14/44/99/246144499.db2.gz RFFDGGRRGKUQCA-AWEZNQCLSA-N 2 2 310.426 3.111 10 0 DGAELP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ncc(-c3ccccc3)s1)CC2 ZINC000494412946 246144724 /nfs/dbraw/zinc/14/47/24/246144724.db2.gz RFFDGGRRGKUQCA-CQSZACIVSA-N 2 2 310.426 3.111 10 0 DGAELP c1ccc(COC2CC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000494476240 246152847 /nfs/dbraw/zinc/15/28/47/246152847.db2.gz NRHVLRWHHAFDSA-SYYJFZTOSA-N 2 2 314.473 3.341 10 0 DGAELP c1ccc(COC2CC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000494476240 246152850 /nfs/dbraw/zinc/15/28/50/246152850.db2.gz NRHVLRWHHAFDSA-SYYJFZTOSA-N 2 2 314.473 3.341 10 0 DGAELP CC[N@H+](Cc1sccc1Br)C1CC[NH2+]CC1 ZINC000043676950 183378911 /nfs/dbraw/zinc/37/89/11/183378911.db2.gz IGUGZUJTKCPOPZ-UHFFFAOYSA-N 2 2 303.269 3.085 10 0 DGAELP CC[N@@H+](Cc1sccc1Br)C1CC[NH2+]CC1 ZINC000043676950 183378912 /nfs/dbraw/zinc/37/89/12/183378912.db2.gz IGUGZUJTKCPOPZ-UHFFFAOYSA-N 2 2 303.269 3.085 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000105897900 194162104 /nfs/dbraw/zinc/16/21/04/194162104.db2.gz FXOJWOZWTDKVGJ-HNNXBMFYSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000105897900 194162106 /nfs/dbraw/zinc/16/21/06/194162106.db2.gz FXOJWOZWTDKVGJ-HNNXBMFYSA-N 2 2 301.438 3.060 10 0 DGAELP Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000105900774 194165414 /nfs/dbraw/zinc/16/54/14/194165414.db2.gz GKTKTVMSVGOEHH-LJQANCHMSA-N 2 2 321.428 3.214 10 0 DGAELP Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000105900774 194165416 /nfs/dbraw/zinc/16/54/16/194165416.db2.gz GKTKTVMSVGOEHH-LJQANCHMSA-N 2 2 321.428 3.214 10 0 DGAELP CC[NH2+][C@@H]1CC[N@H+](Cc2cccc(Br)c2)C[C@@H]1C ZINC000049713253 183755255 /nfs/dbraw/zinc/75/52/55/183755255.db2.gz PZOJPLZBXIRRHO-SWLSCSKDSA-N 2 2 311.267 3.269 10 0 DGAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccc(Br)c2)C[C@@H]1C ZINC000049713253 183755256 /nfs/dbraw/zinc/75/52/56/183755256.db2.gz PZOJPLZBXIRRHO-SWLSCSKDSA-N 2 2 311.267 3.269 10 0 DGAELP Cc1cccc(NC[C@@H]2CCN(c3cc[nH+]c(C(C)C)n3)C2)[nH+]1 ZINC000110417570 194328476 /nfs/dbraw/zinc/32/84/76/194328476.db2.gz OWAVOMPQVLYOQJ-HNNXBMFYSA-N 2 2 311.433 3.242 10 0 DGAELP c1[nH+]c([C@H]2CCCN(c3cc[nH+]c(C4CC4)n3)C2)n2c1CCCC2 ZINC000336938593 253024998 /nfs/dbraw/zinc/02/49/98/253024998.db2.gz WEWPOWWXFLBAMD-HNNXBMFYSA-N 2 2 323.444 3.271 10 0 DGAELP CC[N@H+](CCc1nccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000159191318 197333821 /nfs/dbraw/zinc/33/38/21/197333821.db2.gz RSTUYBDVMLKBRB-UHFFFAOYSA-N 2 2 312.442 3.393 10 0 DGAELP CC[N@@H+](CCc1nccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000159191318 197333822 /nfs/dbraw/zinc/33/38/22/197333822.db2.gz RSTUYBDVMLKBRB-UHFFFAOYSA-N 2 2 312.442 3.393 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000342822226 254059740 /nfs/dbraw/zinc/05/97/40/254059740.db2.gz KIPKKYHOSFGPDV-JKSUJKDBSA-N 2 2 303.431 3.077 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000342822226 254059741 /nfs/dbraw/zinc/05/97/41/254059741.db2.gz KIPKKYHOSFGPDV-JKSUJKDBSA-N 2 2 303.431 3.077 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000344331087 254257865 /nfs/dbraw/zinc/25/78/65/254257865.db2.gz ADTXGRXKSMCTRN-CYBMUJFWSA-N 2 2 303.431 3.125 10 0 DGAELP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000180238934 533131752 /nfs/dbraw/zinc/13/17/52/533131752.db2.gz AMYNAQYMQFQGKI-ICSRJNTNSA-N 2 2 310.441 3.468 10 0 DGAELP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc2)cc1 ZINC000180238934 533131756 /nfs/dbraw/zinc/13/17/56/533131756.db2.gz AMYNAQYMQFQGKI-ICSRJNTNSA-N 2 2 310.441 3.468 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398263 533380441 /nfs/dbraw/zinc/38/04/41/533380441.db2.gz UFCYSECBCUXJDW-NZHZHZHDSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398263 533380448 /nfs/dbraw/zinc/38/04/48/533380448.db2.gz UFCYSECBCUXJDW-NZHZHZHDSA-N 2 2 322.880 3.180 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000616633656 400189063 /nfs/dbraw/zinc/18/90/63/400189063.db2.gz QWDDYVYZJPGDRI-INIZCTEOSA-N 2 2 319.449 3.154 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000616633656 400189066 /nfs/dbraw/zinc/18/90/66/400189066.db2.gz QWDDYVYZJPGDRI-INIZCTEOSA-N 2 2 319.449 3.154 10 0 DGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000398186714 400287198 /nfs/dbraw/zinc/28/71/98/400287198.db2.gz LOGNAPIWNFJWHV-HXUWFJFHSA-N 2 2 322.456 3.199 10 0 DGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000398186714 400287204 /nfs/dbraw/zinc/28/72/04/400287204.db2.gz LOGNAPIWNFJWHV-HXUWFJFHSA-N 2 2 322.456 3.199 10 0 DGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867613 400568206 /nfs/dbraw/zinc/56/82/06/400568206.db2.gz QCKYOIMUEYBKHR-HNNXBMFYSA-N 2 2 322.412 3.193 10 0 DGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867613 400568208 /nfs/dbraw/zinc/56/82/08/400568208.db2.gz QCKYOIMUEYBKHR-HNNXBMFYSA-N 2 2 322.412 3.193 10 0 DGAELP C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584981 400834769 /nfs/dbraw/zinc/83/47/69/400834769.db2.gz WPYCHIYWKORWHT-LLVKDONJSA-N 2 2 317.296 3.284 10 0 DGAELP C[N@H+](Cc1csc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000172584981 400834773 /nfs/dbraw/zinc/83/47/73/400834773.db2.gz WPYCHIYWKORWHT-LLVKDONJSA-N 2 2 317.296 3.284 10 0 DGAELP C[NH+](Cc1csc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172584981 400834779 /nfs/dbraw/zinc/83/47/79/400834779.db2.gz WPYCHIYWKORWHT-LLVKDONJSA-N 2 2 317.296 3.284 10 0 DGAELP C[NH+](Cc1csc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172584981 400834783 /nfs/dbraw/zinc/83/47/83/400834783.db2.gz WPYCHIYWKORWHT-LLVKDONJSA-N 2 2 317.296 3.284 10 0 DGAELP c1cc(-c2ccc(N3CCCC3)[nH+]c2)cc([C@H]2COCC[NH2+]2)c1 ZINC000629709780 401054104 /nfs/dbraw/zinc/05/41/04/401054104.db2.gz KTOIEDKWVGRMET-GOSISDBHSA-N 2 2 309.413 3.010 10 0 DGAELP c1ccc(N2CCC([NH2+][C@H](c3cccnc3)C3CC3)CC2)[nH+]c1 ZINC000358346274 286038155 /nfs/dbraw/zinc/03/81/55/286038155.db2.gz BNUFZGJOZHRNCE-IBGZPJMESA-N 2 2 308.429 3.186 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886602 401563886 /nfs/dbraw/zinc/56/38/86/401563886.db2.gz KUBZLAJQYOYJQG-WFASDCNBSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886602 401563889 /nfs/dbraw/zinc/56/38/89/401563889.db2.gz KUBZLAJQYOYJQG-WFASDCNBSA-N 2 2 309.251 3.023 10 0 DGAELP CC[NH+](CC)CC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000359725872 286368755 /nfs/dbraw/zinc/36/87/55/286368755.db2.gz PAGCRRJLQJGWSR-UHFFFAOYSA-N 2 2 316.493 3.222 10 0 DGAELP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000187754310 165103591 /nfs/dbraw/zinc/10/35/91/165103591.db2.gz HNGKPHBAUWNVFG-AWEZNQCLSA-N 2 2 310.376 3.127 10 0 DGAELP C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078261 165228656 /nfs/dbraw/zinc/22/86/56/165228656.db2.gz WRWAOCZZVMFHSV-BEFAXECRSA-N 2 2 313.445 3.464 10 0 DGAELP c1cn(-c2ncccc2C[NH2+]CCSCc2ccccc2)c[nH+]1 ZINC000193901454 165335229 /nfs/dbraw/zinc/33/52/29/165335229.db2.gz KJIKLFHMWILJNQ-UHFFFAOYSA-N 2 2 324.453 3.290 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000269039053 432152010 /nfs/dbraw/zinc/15/20/10/432152010.db2.gz GFSQPEKILLVUBJ-XYJFISCASA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000269039053 432152011 /nfs/dbraw/zinc/15/20/11/432152011.db2.gz GFSQPEKILLVUBJ-XYJFISCASA-N 2 2 310.445 3.038 10 0 DGAELP Cc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190476965 432160743 /nfs/dbraw/zinc/16/07/43/432160743.db2.gz WLVIRQHNTOMIJE-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190476965 432160748 /nfs/dbraw/zinc/16/07/48/432160748.db2.gz WLVIRQHNTOMIJE-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190476965 432160749 /nfs/dbraw/zinc/16/07/49/432160749.db2.gz WLVIRQHNTOMIJE-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190476965 432160752 /nfs/dbraw/zinc/16/07/52/432160752.db2.gz WLVIRQHNTOMIJE-FQEVSTJZSA-N 2 2 309.457 3.344 10 0 DGAELP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190490367 432162017 /nfs/dbraw/zinc/16/20/17/432162017.db2.gz NBAAUIXFSRVLKL-QGZVFWFLSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190490367 432162022 /nfs/dbraw/zinc/16/20/22/432162022.db2.gz NBAAUIXFSRVLKL-QGZVFWFLSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190490367 432162025 /nfs/dbraw/zinc/16/20/25/432162025.db2.gz NBAAUIXFSRVLKL-QGZVFWFLSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190490367 432162029 /nfs/dbraw/zinc/16/20/29/432162029.db2.gz NBAAUIXFSRVLKL-QGZVFWFLSA-N 2 2 313.445 3.191 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2F)C1 ZINC000190488971 432163474 /nfs/dbraw/zinc/16/34/74/432163474.db2.gz MLKHJIHAMQZCRL-KRWDZBQOSA-N 2 2 313.420 3.175 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2F)C1 ZINC000190488971 432163477 /nfs/dbraw/zinc/16/34/77/432163477.db2.gz MLKHJIHAMQZCRL-KRWDZBQOSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000190488971 432163483 /nfs/dbraw/zinc/16/34/83/432163483.db2.gz MLKHJIHAMQZCRL-KRWDZBQOSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000190488971 432163485 /nfs/dbraw/zinc/16/34/85/432163485.db2.gz MLKHJIHAMQZCRL-KRWDZBQOSA-N 2 2 313.420 3.175 10 0 DGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246827321 432169805 /nfs/dbraw/zinc/16/98/05/432169805.db2.gz BLPBSGBHPNZKCF-FXAWDEMLSA-N 3 2 315.505 3.032 10 0 DGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246827321 432169810 /nfs/dbraw/zinc/16/98/10/432169810.db2.gz BLPBSGBHPNZKCF-FXAWDEMLSA-N 3 2 315.505 3.032 10 0 DGAELP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246883222 432176657 /nfs/dbraw/zinc/17/66/57/432176657.db2.gz BCVHKAGUCLURBO-KXBFYZLASA-N 2 2 320.452 3.462 10 0 DGAELP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000246883222 432176661 /nfs/dbraw/zinc/17/66/61/432176661.db2.gz BCVHKAGUCLURBO-KXBFYZLASA-N 2 2 320.452 3.462 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000246861333 432175134 /nfs/dbraw/zinc/17/51/34/432175134.db2.gz CAMAEQXVWAHNTH-QXAKKESOSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000246861333 432175139 /nfs/dbraw/zinc/17/51/39/432175139.db2.gz CAMAEQXVWAHNTH-QXAKKESOSA-N 2 2 302.462 3.056 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423813 432229522 /nfs/dbraw/zinc/22/95/22/432229522.db2.gz ZGIQCOKLGJOKBP-DZGCQCFKSA-N 2 2 301.459 3.212 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423813 432229526 /nfs/dbraw/zinc/22/95/26/432229526.db2.gz ZGIQCOKLGJOKBP-DZGCQCFKSA-N 2 2 301.459 3.212 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423813 432229531 /nfs/dbraw/zinc/22/95/31/432229531.db2.gz ZGIQCOKLGJOKBP-DZGCQCFKSA-N 2 2 301.459 3.212 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc4ccccc4s3)CC[C@H]21 ZINC000247423813 432229532 /nfs/dbraw/zinc/22/95/32/432229532.db2.gz ZGIQCOKLGJOKBP-DZGCQCFKSA-N 2 2 301.459 3.212 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)C2 ZINC000368098592 271134192 /nfs/dbraw/zinc/13/41/92/271134192.db2.gz BWCPKDUXLSJDDA-SJKOYZFVSA-N 2 2 306.413 3.416 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCc3c4ccccc4[nH]c31)CC2 ZINC000368098592 271134197 /nfs/dbraw/zinc/13/41/97/271134197.db2.gz BWCPKDUXLSJDDA-SJKOYZFVSA-N 2 2 306.413 3.416 10 0 DGAELP COc1ccccc1[C@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151500913 432252685 /nfs/dbraw/zinc/25/26/85/432252685.db2.gz JOAPEEQBDLHHAD-AWEZNQCLSA-N 2 2 308.385 3.127 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000183096845 432258692 /nfs/dbraw/zinc/25/86/92/432258692.db2.gz FQHRYZBVVUEVMQ-KBPBESRZSA-N 2 2 309.417 3.326 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000249273915 277081819 /nfs/dbraw/zinc/08/18/19/277081819.db2.gz KFSJZENUYMUGTJ-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000249273915 277081820 /nfs/dbraw/zinc/08/18/20/277081820.db2.gz KFSJZENUYMUGTJ-ZFWWWQNUSA-N 2 2 309.251 3.120 10 0 DGAELP CC1(C)C[N@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000261637019 278336615 /nfs/dbraw/zinc/33/66/15/278336615.db2.gz FXNJZINIHKHGNQ-KRWDZBQOSA-N 2 2 321.896 3.499 10 0 DGAELP CC1(C)C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000261637019 278336617 /nfs/dbraw/zinc/33/66/17/278336617.db2.gz FXNJZINIHKHGNQ-KRWDZBQOSA-N 2 2 321.896 3.499 10 0 DGAELP CC[C@H](CNc1cc(C)[nH+]c(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000112074252 431246600 /nfs/dbraw/zinc/24/66/00/431246600.db2.gz DELJANWOFVJXQS-MRXNPFEDSA-N 2 2 311.433 3.133 10 0 DGAELP Cc1cccc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)[nH+]1 ZINC000114184736 431373820 /nfs/dbraw/zinc/37/38/20/431373820.db2.gz CBOPVUUMLHEZAG-GASCZTMLSA-N 2 2 312.417 3.011 10 0 DGAELP Cc1[nH+]ccn1CCCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000078336291 431661674 /nfs/dbraw/zinc/66/16/74/431661674.db2.gz OJKQRXGAMYFNDK-UHFFFAOYSA-N 2 2 322.416 3.244 10 0 DGAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000030902572 431747992 /nfs/dbraw/zinc/74/79/92/431747992.db2.gz ZCIPLASDMUCRJE-CZUORRHYSA-N 2 2 308.385 3.274 10 0 DGAELP Cc1ccc(-c2[nH+]c3cc(C)cc(C)n3c2N2CC[NH2+]CC2)cc1 ZINC000095936028 280728870 /nfs/dbraw/zinc/72/88/70/280728870.db2.gz ZHLJAXYVTXJWBF-UHFFFAOYSA-N 2 2 320.440 3.336 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095497 431781349 /nfs/dbraw/zinc/78/13/49/431781349.db2.gz BICOHTAYAVGPNZ-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095497 431781355 /nfs/dbraw/zinc/78/13/55/431781355.db2.gz BICOHTAYAVGPNZ-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095497 431781362 /nfs/dbraw/zinc/78/13/62/431781362.db2.gz BICOHTAYAVGPNZ-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095497 431781368 /nfs/dbraw/zinc/78/13/68/431781368.db2.gz BICOHTAYAVGPNZ-VQIMIIECSA-N 2 2 312.461 3.034 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123029564 431852462 /nfs/dbraw/zinc/85/24/62/431852462.db2.gz WUVGIYAWCOVDOL-CVEARBPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123029564 431852466 /nfs/dbraw/zinc/85/24/66/431852466.db2.gz WUVGIYAWCOVDOL-CVEARBPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123029564 431852467 /nfs/dbraw/zinc/85/24/67/431852467.db2.gz WUVGIYAWCOVDOL-CVEARBPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123029564 431852469 /nfs/dbraw/zinc/85/24/69/431852469.db2.gz WUVGIYAWCOVDOL-CVEARBPZSA-N 2 2 317.477 3.163 10 0 DGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088611 431854755 /nfs/dbraw/zinc/85/47/55/431854755.db2.gz QKVWDGREKYTPSA-STQMWFEESA-N 2 2 300.393 3.149 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@@H+]1C ZINC000123452213 431865559 /nfs/dbraw/zinc/86/55/59/431865559.db2.gz FGSYYKLRFRTYPK-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2coc(-c3cccs3)n2)CC[N@H+]1C ZINC000123452213 431865561 /nfs/dbraw/zinc/86/55/61/431865561.db2.gz FGSYYKLRFRTYPK-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452213 431865564 /nfs/dbraw/zinc/86/55/64/431865564.db2.gz FGSYYKLRFRTYPK-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2coc(-c3cccs3)n2)CC[NH+]1C ZINC000123452213 431865565 /nfs/dbraw/zinc/86/55/65/431865565.db2.gz FGSYYKLRFRTYPK-GXTWGEPZSA-N 2 2 305.447 3.318 10 0 DGAELP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000124233732 431887405 /nfs/dbraw/zinc/88/74/05/431887405.db2.gz CJQUHVPJHJKQOX-UHFFFAOYSA-N 2 2 314.364 3.199 10 0 DGAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000124233732 431887408 /nfs/dbraw/zinc/88/74/08/431887408.db2.gz CJQUHVPJHJKQOX-UHFFFAOYSA-N 2 2 314.364 3.199 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091318855 431904423 /nfs/dbraw/zinc/90/44/23/431904423.db2.gz UDTKFAJOUZBEBV-RTBURBONSA-N 2 2 302.462 3.147 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000091318855 431904425 /nfs/dbraw/zinc/90/44/25/431904425.db2.gz UDTKFAJOUZBEBV-RTBURBONSA-N 2 2 302.462 3.147 10 0 DGAELP Cc1ccc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)[nH+]c1 ZINC000091727820 431904604 /nfs/dbraw/zinc/90/46/04/431904604.db2.gz YFMCLTPCPOTWKQ-CYBMUJFWSA-N 2 2 302.447 3.166 10 0 DGAELP Fc1ccc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000151725801 432269755 /nfs/dbraw/zinc/26/97/55/432269755.db2.gz SWHQWNNFUFRCHV-CQSZACIVSA-N 2 2 317.408 3.275 10 0 DGAELP Fc1ccc2oc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000151725801 432269758 /nfs/dbraw/zinc/26/97/58/432269758.db2.gz SWHQWNNFUFRCHV-CQSZACIVSA-N 2 2 317.408 3.275 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1F ZINC000183220653 432271552 /nfs/dbraw/zinc/27/15/52/432271552.db2.gz WXZYEBQEQWWIAY-LBPRGKRZSA-N 2 2 314.339 3.396 10 0 DGAELP CN(C)c1ccccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779536 432299112 /nfs/dbraw/zinc/29/91/12/432299112.db2.gz FLYGMLSZRYJHAU-MRXNPFEDSA-N 2 2 310.445 3.082 10 0 DGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248052403 432264169 /nfs/dbraw/zinc/26/41/69/432264169.db2.gz NZPNIQMEYDJUOH-MSOLQXFVSA-N 2 2 302.462 3.323 10 0 DGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248052403 432264171 /nfs/dbraw/zinc/26/41/71/432264171.db2.gz NZPNIQMEYDJUOH-MSOLQXFVSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248052403 432264172 /nfs/dbraw/zinc/26/41/72/432264172.db2.gz NZPNIQMEYDJUOH-MSOLQXFVSA-N 2 2 302.462 3.323 10 0 DGAELP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000248052403 432264176 /nfs/dbraw/zinc/26/41/76/432264176.db2.gz NZPNIQMEYDJUOH-MSOLQXFVSA-N 2 2 302.462 3.323 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000248062490 432265861 /nfs/dbraw/zinc/26/58/61/432265861.db2.gz YRMNJRJKRZRSKY-QWQRMKEZSA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000248062490 432265865 /nfs/dbraw/zinc/26/58/65/432265865.db2.gz YRMNJRJKRZRSKY-QWQRMKEZSA-N 2 2 303.450 3.024 10 0 DGAELP Cc1ccc(C)c([C@H]2C[N@H+](CCCn3cc[nH+]c3)[C@H](C)CO2)c1 ZINC000183181995 432267939 /nfs/dbraw/zinc/26/79/39/432267939.db2.gz XOLUSWKWPIXWKQ-IEBWSBKVSA-N 2 2 313.445 3.352 10 0 DGAELP Cc1ccc(C)c([C@H]2C[N@@H+](CCCn3cc[nH+]c3)[C@H](C)CO2)c1 ZINC000183181995 432267940 /nfs/dbraw/zinc/26/79/40/432267940.db2.gz XOLUSWKWPIXWKQ-IEBWSBKVSA-N 2 2 313.445 3.352 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000249057610 432336354 /nfs/dbraw/zinc/33/63/54/432336354.db2.gz XXDRLPQULXQGNC-GPMSIDNRSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000249057610 432336356 /nfs/dbraw/zinc/33/63/56/432336356.db2.gz XXDRLPQULXQGNC-GPMSIDNRSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000152533448 432339498 /nfs/dbraw/zinc/33/94/98/432339498.db2.gz YBIIYACWDMFPDJ-GJYPPUQNSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccncc1 ZINC000152533448 432339501 /nfs/dbraw/zinc/33/95/01/432339501.db2.gz YBIIYACWDMFPDJ-GJYPPUQNSA-N 2 2 310.445 3.038 10 0 DGAELP COc1ccc2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)sc2c1 ZINC000261766551 432447957 /nfs/dbraw/zinc/44/79/57/432447957.db2.gz DITATCQDAQQAIJ-FUNVUKJBSA-N 2 2 317.458 3.020 10 0 DGAELP COc1ccc2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)sc2c1 ZINC000261766551 432447960 /nfs/dbraw/zinc/44/79/60/432447960.db2.gz DITATCQDAQQAIJ-FUNVUKJBSA-N 2 2 317.458 3.020 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193164734 432456288 /nfs/dbraw/zinc/45/62/88/432456288.db2.gz KFSJZENUYMUGTJ-DZGCQCFKSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193164734 432456290 /nfs/dbraw/zinc/45/62/90/432456290.db2.gz KFSJZENUYMUGTJ-DZGCQCFKSA-N 2 2 309.251 3.120 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000262118966 432475538 /nfs/dbraw/zinc/47/55/38/432475538.db2.gz LQSUDLWMCSWGHA-WPRPVWTQSA-N 2 2 307.385 3.030 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000262118966 432475542 /nfs/dbraw/zinc/47/55/42/432475542.db2.gz LQSUDLWMCSWGHA-WPRPVWTQSA-N 2 2 307.385 3.030 10 0 DGAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)no1 ZINC000262203568 432478731 /nfs/dbraw/zinc/47/87/31/432478731.db2.gz KRDDOPOWOFUSCB-MRXNPFEDSA-N 2 2 308.385 3.019 10 0 DGAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)no1 ZINC000262203568 432478737 /nfs/dbraw/zinc/47/87/37/432478737.db2.gz KRDDOPOWOFUSCB-MRXNPFEDSA-N 2 2 308.385 3.019 10 0 DGAELP CC1(C)CCC[C@H]1[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262228456 432478881 /nfs/dbraw/zinc/47/88/81/432478881.db2.gz NOFPBOFBYXCOSO-OAHLLOKOSA-N 2 2 314.433 3.109 10 0 DGAELP CC1(C)CCC[C@H]1[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262228456 432478885 /nfs/dbraw/zinc/47/88/85/432478885.db2.gz NOFPBOFBYXCOSO-OAHLLOKOSA-N 2 2 314.433 3.109 10 0 DGAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@H](C)c1cc2ccccc2o1 ZINC000262240671 432479031 /nfs/dbraw/zinc/47/90/31/432479031.db2.gz PDMYIZMBHYMKGX-GFCCVEGCSA-N 2 2 314.389 3.248 10 0 DGAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@H](C)c1cc2ccccc2o1 ZINC000262240671 432479034 /nfs/dbraw/zinc/47/90/34/432479034.db2.gz PDMYIZMBHYMKGX-GFCCVEGCSA-N 2 2 314.389 3.248 10 0 DGAELP C[NH2+]C1CC[NH+](Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000261943972 432463425 /nfs/dbraw/zinc/46/34/25/432463425.db2.gz NDHOAOOWMOVRNS-UHFFFAOYSA-N 2 2 310.445 3.033 10 0 DGAELP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000177057966 432579933 /nfs/dbraw/zinc/57/99/33/432579933.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OCC ZINC000177057966 432579937 /nfs/dbraw/zinc/57/99/37/432579937.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000177057966 432579941 /nfs/dbraw/zinc/57/99/41/432579941.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000177057966 432579943 /nfs/dbraw/zinc/57/99/43/432579943.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177746815 432657093 /nfs/dbraw/zinc/65/70/93/432657093.db2.gz HQRRIKKNFJYOLS-CQSZACIVSA-N 2 2 323.444 3.116 10 0 DGAELP Cc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)o1 ZINC000159044686 432667804 /nfs/dbraw/zinc/66/78/04/432667804.db2.gz XNOHPEKYNOVZDR-IBGZPJMESA-N 2 2 323.396 3.347 10 0 DGAELP Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)o1 ZINC000159044686 432667808 /nfs/dbraw/zinc/66/78/08/432667808.db2.gz XNOHPEKYNOVZDR-IBGZPJMESA-N 2 2 323.396 3.347 10 0 DGAELP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275353530 432725521 /nfs/dbraw/zinc/72/55/21/432725521.db2.gz AHFGTCDSGMPXOA-LISAXSMJSA-N 2 2 303.450 3.222 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000178509755 432744880 /nfs/dbraw/zinc/74/48/80/432744880.db2.gz GYHCYACKEKEKCU-LPHOPBHVSA-N 2 2 301.478 3.462 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC000178509755 432744885 /nfs/dbraw/zinc/74/48/85/432744885.db2.gz GYHCYACKEKEKCU-LPHOPBHVSA-N 2 2 301.478 3.462 10 0 DGAELP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1cccs1 ZINC000178855468 432783298 /nfs/dbraw/zinc/78/32/98/432783298.db2.gz JCRDVZBUCRREPG-LLVKDONJSA-N 2 2 322.397 3.445 10 0 DGAELP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000245853150 432865537 /nfs/dbraw/zinc/86/55/37/432865537.db2.gz MVWSKXLIKVHEEY-WMZOPIPTSA-N 2 2 302.462 3.359 10 0 DGAELP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000245853150 432865540 /nfs/dbraw/zinc/86/55/40/432865540.db2.gz MVWSKXLIKVHEEY-WMZOPIPTSA-N 2 2 302.462 3.359 10 0 DGAELP O[C@H](C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000245860786 432866464 /nfs/dbraw/zinc/86/64/64/432866464.db2.gz OTSFUZQBSNEKON-GDBMZVCRSA-N 2 2 311.385 3.015 10 0 DGAELP O[C@H](C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccco1 ZINC000245860786 432866466 /nfs/dbraw/zinc/86/64/66/432866466.db2.gz OTSFUZQBSNEKON-GDBMZVCRSA-N 2 2 311.385 3.015 10 0 DGAELP C[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245561761 432844427 /nfs/dbraw/zinc/84/44/27/432844427.db2.gz CEXBAKHZQOJJEQ-SWLSCSKDSA-N 2 2 314.364 3.247 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2nc3cc(F)ccc3o2)C[C@H]1n1cc[nH+]c1 ZINC000245561761 432844429 /nfs/dbraw/zinc/84/44/29/432844429.db2.gz CEXBAKHZQOJJEQ-SWLSCSKDSA-N 2 2 314.364 3.247 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000163268359 432848515 /nfs/dbraw/zinc/84/85/15/432848515.db2.gz BUARILSOBNRFQV-GOEBONIOSA-N 2 2 324.465 3.063 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000163268359 432848518 /nfs/dbraw/zinc/84/85/18/432848518.db2.gz BUARILSOBNRFQV-GOEBONIOSA-N 2 2 324.465 3.063 10 0 DGAELP COc1ccc(OC)c(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)c1 ZINC000163349047 432850704 /nfs/dbraw/zinc/85/07/04/432850704.db2.gz CLCVAIFTJWLUFB-MRXNPFEDSA-N 2 2 318.461 3.153 10 0 DGAELP COc1ccc(OC)c(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)c1 ZINC000163349047 432850707 /nfs/dbraw/zinc/85/07/07/432850707.db2.gz CLCVAIFTJWLUFB-MRXNPFEDSA-N 2 2 318.461 3.153 10 0 DGAELP COc1ccc(OC)c(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)c1 ZINC000163349047 432850709 /nfs/dbraw/zinc/85/07/09/432850709.db2.gz CLCVAIFTJWLUFB-MRXNPFEDSA-N 2 2 318.461 3.153 10 0 DGAELP COc1ccc(OC)c(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)c1 ZINC000163349047 432850711 /nfs/dbraw/zinc/85/07/11/432850711.db2.gz CLCVAIFTJWLUFB-MRXNPFEDSA-N 2 2 318.461 3.153 10 0 DGAELP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333272826 433045640 /nfs/dbraw/zinc/04/56/40/433045640.db2.gz GIZBOMGSLWXZDF-HZPDHXFCSA-N 2 2 316.449 3.084 10 0 DGAELP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000336704829 433181900 /nfs/dbraw/zinc/18/19/00/433181900.db2.gz HKYJFJQSRCPKMU-MSOLQXFVSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000336704829 433181911 /nfs/dbraw/zinc/18/19/11/433181911.db2.gz HKYJFJQSRCPKMU-MSOLQXFVSA-N 2 2 302.462 3.198 10 0 DGAELP CC(C)n1c[nH+]cc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000448552363 433419967 /nfs/dbraw/zinc/41/99/67/433419967.db2.gz VRYIABPQBDWTCG-UHFFFAOYSA-N 2 2 312.461 3.172 10 0 DGAELP CC(C)n1c[nH+]cc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000448552363 433419975 /nfs/dbraw/zinc/41/99/75/433419975.db2.gz VRYIABPQBDWTCG-UHFFFAOYSA-N 2 2 312.461 3.172 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000361888049 433436970 /nfs/dbraw/zinc/43/69/70/433436970.db2.gz IYQYQBUWKGJUQY-OKZBNKHCSA-N 2 2 317.477 3.459 10 0 DGAELP c1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000281977227 433452624 /nfs/dbraw/zinc/45/26/24/433452624.db2.gz HHQFYUXODZFHIV-ZDUSSCGKSA-N 2 2 302.447 3.056 10 0 DGAELP c1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000281977227 433452631 /nfs/dbraw/zinc/45/26/31/433452631.db2.gz HHQFYUXODZFHIV-ZDUSSCGKSA-N 2 2 302.447 3.056 10 0 DGAELP c1cn(-c2ncccc2C[NH2+]Cc2ccc3occc3c2)c[nH+]1 ZINC000367522971 293083063 /nfs/dbraw/zinc/08/30/63/293083063.db2.gz KYOITDZWVQTURN-UHFFFAOYSA-N 2 2 304.353 3.303 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1C ZINC000422636288 433936174 /nfs/dbraw/zinc/93/61/74/433936174.db2.gz MUDNXCYLDQNIRN-UHFFFAOYSA-N 2 2 300.446 3.142 10 0 DGAELP CC[NH2+]Cc1ccccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000414865159 433893347 /nfs/dbraw/zinc/89/33/47/433893347.db2.gz KGUVVHKLAYZUAV-UHFFFAOYSA-N 2 2 310.445 3.403 10 0 DGAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Br)s1 ZINC000313254142 434126948 /nfs/dbraw/zinc/12/69/48/434126948.db2.gz OJYGCDKZRDZYSY-SECBINFHSA-N 2 2 314.252 3.137 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422991913 434153417 /nfs/dbraw/zinc/15/34/17/434153417.db2.gz QLGDHXQXJGSGCY-FGTMMUONSA-N 2 2 302.466 3.009 10 0 DGAELP c1csc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084180 434160174 /nfs/dbraw/zinc/16/01/74/434160174.db2.gz KVRYVZJCRBGTGE-HIFRSBDPSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084180 434160182 /nfs/dbraw/zinc/16/01/82/434160182.db2.gz KVRYVZJCRBGTGE-HIFRSBDPSA-N 2 2 317.458 3.367 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186549 434185777 /nfs/dbraw/zinc/18/57/77/434185777.db2.gz ZCFVDDPMYSVTIB-LSDHHAIUSA-N 2 2 317.458 3.182 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)c2)c[nH+]1 ZINC000346186549 434185790 /nfs/dbraw/zinc/18/57/90/434185790.db2.gz ZCFVDDPMYSVTIB-LSDHHAIUSA-N 2 2 317.458 3.182 10 0 DGAELP Brc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423232913 434301065 /nfs/dbraw/zinc/30/10/65/434301065.db2.gz JBBITOPTBKEPKY-CABCVRRESA-N 2 2 309.251 3.242 10 0 DGAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388822831 434338508 /nfs/dbraw/zinc/33/85/08/434338508.db2.gz KVHOHRQKNDCSLT-NSHDSACASA-N 2 2 317.296 3.331 10 0 DGAELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000388822831 434338517 /nfs/dbraw/zinc/33/85/17/434338517.db2.gz KVHOHRQKNDCSLT-NSHDSACASA-N 2 2 317.296 3.331 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000389208460 434345836 /nfs/dbraw/zinc/34/58/36/434345836.db2.gz BJRWXAHLTJGENE-ABAIWWIYSA-N 2 2 309.251 3.120 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000389208460 434345845 /nfs/dbraw/zinc/34/58/45/434345845.db2.gz BJRWXAHLTJGENE-ABAIWWIYSA-N 2 2 309.251 3.120 10 0 DGAELP c1cnn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)cc2)c1 ZINC000527750855 295125298 /nfs/dbraw/zinc/12/52/98/295125298.db2.gz GCXRXHYDDXLLAS-HXUWFJFHSA-N 2 2 324.472 3.369 10 0 DGAELP c1cnn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)cc2)c1 ZINC000527750855 295125299 /nfs/dbraw/zinc/12/52/99/295125299.db2.gz GCXRXHYDDXLLAS-HXUWFJFHSA-N 2 2 324.472 3.369 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805878 295134111 /nfs/dbraw/zinc/13/41/11/295134111.db2.gz IUFFOZPKIQRWBN-HNNXBMFYSA-N 2 2 316.474 3.245 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805878 295134113 /nfs/dbraw/zinc/13/41/13/295134113.db2.gz IUFFOZPKIQRWBN-HNNXBMFYSA-N 2 2 316.474 3.245 10 0 DGAELP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527808045 295134310 /nfs/dbraw/zinc/13/43/10/295134310.db2.gz PIPBIWFDGQXRIG-WBVHZDCISA-N 2 2 300.446 3.159 10 0 DGAELP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527808045 295134312 /nfs/dbraw/zinc/13/43/12/295134312.db2.gz PIPBIWFDGQXRIG-WBVHZDCISA-N 2 2 300.446 3.159 10 0 DGAELP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC[C@H]3CCCOC3)C2)cc1 ZINC000527928554 295152048 /nfs/dbraw/zinc/15/20/48/295152048.db2.gz PKVPCCKELYADCS-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC[C@H]3CCCOC3)C2)cc1 ZINC000527928554 295152049 /nfs/dbraw/zinc/15/20/49/295152049.db2.gz PKVPCCKELYADCS-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP c1ncc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000411700481 434819506 /nfs/dbraw/zinc/81/95/06/434819506.db2.gz ZVPUSTJNWAGAQS-CQSZACIVSA-N 2 2 316.474 3.098 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000514834020 435440597 /nfs/dbraw/zinc/44/05/97/435440597.db2.gz WXYWSXANKXZLEH-APWZRJJASA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000514834020 435440602 /nfs/dbraw/zinc/44/06/02/435440602.db2.gz WXYWSXANKXZLEH-APWZRJJASA-N 2 2 302.462 3.056 10 0 DGAELP c1[nH+]cn(Cc2ccccc2)c1CSCC1CC[NH2+]CC1 ZINC000568508324 435443160 /nfs/dbraw/zinc/44/31/60/435443160.db2.gz ZJFCCLMXCORMHW-UHFFFAOYSA-N 2 2 301.459 3.164 10 0 DGAELP COc1ccc([C@H](C[NH+](C)C)[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000517104406 435575444 /nfs/dbraw/zinc/57/54/44/435575444.db2.gz JYMAIXHXIZLQEM-FHWLQOOXSA-N 2 2 302.462 3.466 10 0 DGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214935 313340397 /nfs/dbraw/zinc/34/03/97/313340397.db2.gz DYHLWTLSQQNUIC-HKUYNNGSSA-N 2 2 322.456 3.124 10 0 DGAELP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216917 313341179 /nfs/dbraw/zinc/34/11/79/313341179.db2.gz DIGJOYDVGKGRKK-HUUCEWRRSA-N 2 2 321.262 3.311 10 0 DGAELP CCC[C@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000546961744 314338253 /nfs/dbraw/zinc/33/82/53/314338253.db2.gz FQVVFLHOVPDCGK-LJQANCHMSA-N 2 2 324.472 3.491 10 0 DGAELP CC(C)[N@H+](CCc1nccs1)Cc1cccc2[nH+]ccn21 ZINC000180538546 323232157 /nfs/dbraw/zinc/23/21/57/323232157.db2.gz CORCYQIGZLYKTB-UHFFFAOYSA-N 2 2 300.431 3.244 10 0 DGAELP CC(C)[N@@H+](CCc1nccs1)Cc1cccc2[nH+]ccn21 ZINC000180538546 323232160 /nfs/dbraw/zinc/23/21/60/323232160.db2.gz CORCYQIGZLYKTB-UHFFFAOYSA-N 2 2 300.431 3.244 10 0 DGAELP CCCC[C@@H](CC)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183614262 323343788 /nfs/dbraw/zinc/34/37/88/323343788.db2.gz XIQHBQCMOJRHJZ-GOSISDBHSA-N 2 2 320.525 3.496 10 0 DGAELP CCCC[C@@H](CC)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183614262 323343791 /nfs/dbraw/zinc/34/37/91/323343791.db2.gz XIQHBQCMOJRHJZ-GOSISDBHSA-N 2 2 320.525 3.496 10 0 DGAELP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738662 323393913 /nfs/dbraw/zinc/39/39/13/323393913.db2.gz KUGXNNNCGDUTOR-ZIAGYGMSSA-N 2 2 318.490 3.138 10 0 DGAELP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738662 323393918 /nfs/dbraw/zinc/39/39/18/323393918.db2.gz KUGXNNNCGDUTOR-ZIAGYGMSSA-N 2 2 318.490 3.138 10 0 DGAELP COC[C@H](C)C[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000187615465 323416827 /nfs/dbraw/zinc/41/68/27/323416827.db2.gz CXDHIECCVCYEGH-HZPDHXFCSA-N 2 2 310.507 3.393 10 0 DGAELP Cc1nc(CC[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cs1 ZINC000299743151 534331190 /nfs/dbraw/zinc/33/11/90/534331190.db2.gz MDCLVWYOXMOJQD-HNNXBMFYSA-N 2 2 316.474 3.016 10 0 DGAELP Cc1nc(CC[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cs1 ZINC000299743151 534331198 /nfs/dbraw/zinc/33/11/98/534331198.db2.gz MDCLVWYOXMOJQD-HNNXBMFYSA-N 2 2 316.474 3.016 10 0 DGAELP CCCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070456446 521384734 /nfs/dbraw/zinc/38/47/34/521384734.db2.gz SPPMOENDOPSOBM-INIZCTEOSA-N 2 2 314.408 3.399 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cc(F)ccc1F ZINC000163320586 522616259 /nfs/dbraw/zinc/61/62/59/522616259.db2.gz OMFGGYDRNSYYQI-YOEHRIQHSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cc(F)ccc1F ZINC000163320586 522616272 /nfs/dbraw/zinc/61/62/72/522616272.db2.gz OMFGGYDRNSYYQI-YOEHRIQHSA-N 2 2 312.404 3.116 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163415130 523828597 /nfs/dbraw/zinc/82/85/97/523828597.db2.gz LGPFGDYMSYNWOA-DZGCQCFKSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000163415130 523828604 /nfs/dbraw/zinc/82/86/04/523828604.db2.gz LGPFGDYMSYNWOA-DZGCQCFKSA-N 2 2 319.474 3.058 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000163440654 523829680 /nfs/dbraw/zinc/82/96/80/523829680.db2.gz ISIMZLPZGLHBDB-GDBMZVCRSA-N 2 2 302.418 3.194 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000163440654 523829683 /nfs/dbraw/zinc/82/96/83/523829683.db2.gz ISIMZLPZGLHBDB-GDBMZVCRSA-N 2 2 302.418 3.194 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154779357 525468869 /nfs/dbraw/zinc/46/88/69/525468869.db2.gz UJKOLHAFMYIZGP-HNNXBMFYSA-N 2 2 321.428 3.184 10 0 DGAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCCS3)C2)cc1 ZINC000156406563 526465265 /nfs/dbraw/zinc/46/52/65/526465265.db2.gz XONUEFZCTHDATL-MSOLQXFVSA-N 2 2 304.503 3.179 10 0 DGAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCCS3)C2)cc1 ZINC000156406563 526465268 /nfs/dbraw/zinc/46/52/68/526465268.db2.gz XONUEFZCTHDATL-MSOLQXFVSA-N 2 2 304.503 3.179 10 0 DGAELP Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cnn1C ZINC000192180847 546229214 /nfs/dbraw/zinc/22/92/14/546229214.db2.gz VHYKYFMEMOUSOR-CQSZACIVSA-N 2 2 309.417 3.073 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]Cc2cscc2Br)CC[N@@H+]1C ZINC000304578270 546440797 /nfs/dbraw/zinc/44/07/97/546440797.db2.gz NRANEIGPAHVBPG-MWLCHTKSSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@@H]1C[C@H]([NH2+]Cc2cscc2Br)CC[N@H+]1C ZINC000304578270 546440799 /nfs/dbraw/zinc/44/07/99/546440799.db2.gz NRANEIGPAHVBPG-MWLCHTKSSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381072117 546737841 /nfs/dbraw/zinc/73/78/41/546737841.db2.gz PQSBYBLFHQJMGL-SJORKVTESA-N 2 2 312.457 3.433 10 0 DGAELP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381072117 546737843 /nfs/dbraw/zinc/73/78/43/546737843.db2.gz PQSBYBLFHQJMGL-SJORKVTESA-N 2 2 312.457 3.433 10 0 DGAELP C[C@@]1(C[NH2+]C2CCC(C)(O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000702994042 660752051 /nfs/dbraw/zinc/75/20/51/660752051.db2.gz MKOXCZFZXYPNKR-GPJFCIFZSA-N 2 2 316.489 3.324 10 0 DGAELP C[C@@]1(C[NH2+]C2CCC(C)(O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000702994042 660752052 /nfs/dbraw/zinc/75/20/52/660752052.db2.gz MKOXCZFZXYPNKR-GPJFCIFZSA-N 2 2 316.489 3.324 10 0 DGAELP Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000716648900 661226126 /nfs/dbraw/zinc/22/61/26/661226126.db2.gz FTBUNNVGNPFHLH-BZSNNMDCSA-N 2 2 311.429 3.126 10 0 DGAELP Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)on1 ZINC000716648900 661226128 /nfs/dbraw/zinc/22/61/28/661226128.db2.gz FTBUNNVGNPFHLH-BZSNNMDCSA-N 2 2 311.429 3.126 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720877523 658155085 /nfs/dbraw/zinc/15/50/85/658155085.db2.gz PWCZANHYMUKMOA-SUZMYJTESA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720877523 658155088 /nfs/dbraw/zinc/15/50/88/658155088.db2.gz PWCZANHYMUKMOA-SUZMYJTESA-N 2 2 306.759 3.470 10 0 DGAELP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1Br ZINC000157008755 658976663 /nfs/dbraw/zinc/97/66/63/658976663.db2.gz RSRDKUZPEQDRPR-GFCCVEGCSA-N 2 2 315.230 3.292 10 0 DGAELP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1Br ZINC000157008755 658976668 /nfs/dbraw/zinc/97/66/68/658976668.db2.gz RSRDKUZPEQDRPR-GFCCVEGCSA-N 2 2 315.230 3.292 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000226019304 1176579758 /nfs/dbraw/zinc/57/97/58/1176579758.db2.gz QFNLVUGXPBBKTD-RUXDESIVSA-N 2 2 323.278 3.379 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000226019304 1176579767 /nfs/dbraw/zinc/57/97/67/1176579767.db2.gz QFNLVUGXPBBKTD-RUXDESIVSA-N 2 2 323.278 3.379 10 0 DGAELP CCc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000379679969 1197704184 /nfs/dbraw/zinc/70/41/84/1197704184.db2.gz KQIXBDDZBVEMGQ-SFHVURJKSA-N 2 2 324.472 3.236 10 0 DGAELP CCc1nc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000379679969 1197704188 /nfs/dbraw/zinc/70/41/88/1197704188.db2.gz KQIXBDDZBVEMGQ-SFHVURJKSA-N 2 2 324.472 3.236 10 0 DGAELP CC(C)Cc1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000092659333 185331903 /nfs/dbraw/zinc/33/19/03/185331903.db2.gz PPXPNMHKYPQBJL-UHFFFAOYSA-N 2 2 304.463 3.375 10 0 DGAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328627434 529794441 /nfs/dbraw/zinc/79/44/41/529794441.db2.gz GDELRTFOLXBCOU-HBMCJLEFSA-N 2 2 321.468 3.222 10 0 DGAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)[C@@H]1c1cccnc1 ZINC000328627434 529794442 /nfs/dbraw/zinc/79/44/42/529794442.db2.gz GDELRTFOLXBCOU-HBMCJLEFSA-N 2 2 321.468 3.222 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181965425 199367404 /nfs/dbraw/zinc/36/74/04/199367404.db2.gz NMRQCTDZMNJQTI-IUODEOHRSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000181965425 199367406 /nfs/dbraw/zinc/36/74/06/199367406.db2.gz NMRQCTDZMNJQTI-IUODEOHRSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000181965425 199367408 /nfs/dbraw/zinc/36/74/08/199367408.db2.gz NMRQCTDZMNJQTI-IUODEOHRSA-N 2 2 324.852 3.041 10 0 DGAELP COC(=O)c1ccc(Cl)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181965425 199367409 /nfs/dbraw/zinc/36/74/09/199367409.db2.gz NMRQCTDZMNJQTI-IUODEOHRSA-N 2 2 324.852 3.041 10 0 DGAELP Cc1ccc(-c2nc(N3CCC[NH2+]CC3)cc(C(C)C)[nH+]2)cc1 ZINC000070451914 190895166 /nfs/dbraw/zinc/89/51/66/190895166.db2.gz IKTIITRNFBMBOB-UHFFFAOYSA-N 2 2 310.445 3.375 10 0 DGAELP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000177910776 186202572 /nfs/dbraw/zinc/20/25/72/186202572.db2.gz ZIYUJDDTZUNOGR-LLVKDONJSA-N 2 2 313.430 3.191 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000180124071 199120636 /nfs/dbraw/zinc/12/06/36/199120636.db2.gz KFEPIDRVVLKPRK-GOSISDBHSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000180124071 199120638 /nfs/dbraw/zinc/12/06/38/199120638.db2.gz KFEPIDRVVLKPRK-GOSISDBHSA-N 2 2 321.428 3.246 10 0 DGAELP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180667813 199193263 /nfs/dbraw/zinc/19/32/63/199193263.db2.gz WKIGXVZEKIFQJQ-JXFKEZNVSA-N 2 2 321.424 3.127 10 0 DGAELP C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889700 432099700 /nfs/dbraw/zinc/09/97/00/432099700.db2.gz SWECMLVXBWTOSY-ZDUSSCGKSA-N 2 2 323.425 3.432 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000135123505 432099644 /nfs/dbraw/zinc/09/96/44/432099644.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000135123505 432099647 /nfs/dbraw/zinc/09/96/47/432099647.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000135123505 432099650 /nfs/dbraw/zinc/09/96/50/432099650.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000135123505 432099651 /nfs/dbraw/zinc/09/96/51/432099651.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 2 2 318.461 3.166 10 0 DGAELP C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900806 432101416 /nfs/dbraw/zinc/10/14/16/432101416.db2.gz IDEYJIBZURGBOJ-UZLBHIALSA-N 2 2 321.424 3.431 10 0 DGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)o1 ZINC000275515157 212387093 /nfs/dbraw/zinc/38/70/93/212387093.db2.gz KQSDZTDHUFFIIR-ONUSSAAZSA-N 2 2 315.417 3.146 10 0 DGAELP c1cn(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)c[nH+]1 ZINC000449072663 240003725 /nfs/dbraw/zinc/00/37/25/240003725.db2.gz GCAOUWHBEJLHSM-SFHVURJKSA-N 2 2 311.429 3.123 10 0 DGAELP Brc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)cc1 ZINC000091264032 193027910 /nfs/dbraw/zinc/02/79/10/193027910.db2.gz IWHRDVYWRGDJQA-HNNXBMFYSA-N 2 2 320.234 3.387 10 0 DGAELP CCCCOc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccc1OC ZINC000091670265 193089069 /nfs/dbraw/zinc/08/90/69/193089069.db2.gz KETXNVBMBXZGHJ-UHFFFAOYSA-N 2 2 320.477 3.400 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000119220574 284138103 /nfs/dbraw/zinc/13/81/03/284138103.db2.gz DHGXFVOMCLFYQE-NTCAYCPXSA-N 2 2 322.880 3.444 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000119683056 284148886 /nfs/dbraw/zinc/14/88/86/284148886.db2.gz WABJVZUNCITJFD-UFYCRDLUSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000119683056 284148890 /nfs/dbraw/zinc/14/88/90/284148890.db2.gz WABJVZUNCITJFD-UFYCRDLUSA-N 2 2 316.489 3.446 10 0 DGAELP CCCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644669 193281653 /nfs/dbraw/zinc/28/16/53/193281653.db2.gz AJMSENPUIJIXPO-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000093644669 193281655 /nfs/dbraw/zinc/28/16/55/193281655.db2.gz AJMSENPUIJIXPO-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000093644669 193281657 /nfs/dbraw/zinc/28/16/57/193281657.db2.gz AJMSENPUIJIXPO-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000093644669 193281659 /nfs/dbraw/zinc/28/16/59/193281659.db2.gz AJMSENPUIJIXPO-NVXWUHKLSA-N 2 2 320.477 3.399 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731143 217208526 /nfs/dbraw/zinc/20/85/26/217208526.db2.gz MGFQXEZVBOCIRX-NVXWUHKLSA-N 2 2 301.434 3.092 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731143 217208529 /nfs/dbraw/zinc/20/85/29/217208529.db2.gz MGFQXEZVBOCIRX-NVXWUHKLSA-N 2 2 301.434 3.092 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246462907 432134465 /nfs/dbraw/zinc/13/44/65/432134465.db2.gz PXTZHMFLHBVSMY-IPELMVKDSA-N 2 2 322.468 3.092 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246462907 432134470 /nfs/dbraw/zinc/13/44/70/432134470.db2.gz PXTZHMFLHBVSMY-IPELMVKDSA-N 2 2 322.468 3.092 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246462913 432134417 /nfs/dbraw/zinc/13/44/17/432134417.db2.gz PXTZHMFLHBVSMY-KFKAGJAMSA-N 2 2 322.468 3.092 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246462913 432134419 /nfs/dbraw/zinc/13/44/19/432134419.db2.gz PXTZHMFLHBVSMY-KFKAGJAMSA-N 2 2 322.468 3.092 10 0 DGAELP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000153326566 284666758 /nfs/dbraw/zinc/66/67/58/284666758.db2.gz IRBHCOQKEIEIPV-QWHCGFSZSA-N 2 2 316.898 3.411 10 0 DGAELP CC(C)[N@H+](CCC(N)=[NH2+])Cc1cc(Br)ccc1F ZINC000042529645 183281252 /nfs/dbraw/zinc/28/12/52/183281252.db2.gz YMNGYWGVDPGMNC-UHFFFAOYSA-N 2 2 316.218 3.125 10 0 DGAELP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1cc(Br)ccc1F ZINC000042529645 183281256 /nfs/dbraw/zinc/28/12/56/183281256.db2.gz YMNGYWGVDPGMNC-UHFFFAOYSA-N 2 2 316.218 3.125 10 0 DGAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042563440 183285520 /nfs/dbraw/zinc/28/55/20/183285520.db2.gz ROGYDAOSPCYMBE-MNOVXSKESA-N 2 2 303.244 3.408 10 0 DGAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042563440 183285521 /nfs/dbraw/zinc/28/55/21/183285521.db2.gz ROGYDAOSPCYMBE-MNOVXSKESA-N 2 2 303.244 3.408 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000269039048 432150317 /nfs/dbraw/zinc/15/03/17/432150317.db2.gz GFSQPEKILLVUBJ-SOLBZPMBSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000269039048 432150322 /nfs/dbraw/zinc/15/03/22/432150322.db2.gz GFSQPEKILLVUBJ-SOLBZPMBSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)cs1 ZINC000043687684 183381501 /nfs/dbraw/zinc/38/15/01/183381501.db2.gz CERFMAVPNZKVQP-ZJUUUORDSA-N 2 2 303.269 3.070 10 0 DGAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)cs1 ZINC000043687684 183381503 /nfs/dbraw/zinc/38/15/03/183381503.db2.gz CERFMAVPNZKVQP-ZJUUUORDSA-N 2 2 303.269 3.070 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000105897756 194162159 /nfs/dbraw/zinc/16/21/59/194162159.db2.gz HGQCCSRAVDRZAZ-CYBMUJFWSA-N 2 2 319.371 3.051 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000105897756 194162162 /nfs/dbraw/zinc/16/21/62/194162162.db2.gz HGQCCSRAVDRZAZ-CYBMUJFWSA-N 2 2 319.371 3.051 10 0 DGAELP Cc1cccc(-c2noc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000109793604 194285672 /nfs/dbraw/zinc/28/56/72/194285672.db2.gz QVZNCMBOGZUKNA-UHFFFAOYSA-N 2 2 323.400 3.079 10 0 DGAELP Cc1cccc(NC[C@H]2CCN(c3cc[nH+]c(C(C)C)n3)C2)[nH+]1 ZINC000110417573 194328542 /nfs/dbraw/zinc/32/85/42/194328542.db2.gz OWAVOMPQVLYOQJ-OAHLLOKOSA-N 2 2 311.433 3.242 10 0 DGAELP CCCn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000120619889 195202069 /nfs/dbraw/zinc/20/20/69/195202069.db2.gz HMRRCNYQQAWQGX-SFHVURJKSA-N 2 2 318.509 3.237 10 0 DGAELP CCCn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000120619889 195202070 /nfs/dbraw/zinc/20/20/70/195202070.db2.gz HMRRCNYQQAWQGX-SFHVURJKSA-N 2 2 318.509 3.237 10 0 DGAELP Cc1[nH+]cc(CN2CCC([NH+]3CCCC3)CC2)n1-c1ccccc1 ZINC000127734344 195905280 /nfs/dbraw/zinc/90/52/80/195905280.db2.gz BSKXFBJWXZIYRJ-UHFFFAOYSA-N 2 2 324.472 3.241 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616606472 400183085 /nfs/dbraw/zinc/18/30/85/400183085.db2.gz BFHPGBATOZBSGB-OAHLLOKOSA-N 2 2 305.422 3.129 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616606472 400183086 /nfs/dbraw/zinc/18/30/86/400183086.db2.gz BFHPGBATOZBSGB-OAHLLOKOSA-N 2 2 305.422 3.129 10 0 DGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867618 400568645 /nfs/dbraw/zinc/56/86/45/400568645.db2.gz QCKYOIMUEYBKHR-OAHLLOKOSA-N 2 2 322.412 3.193 10 0 DGAELP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867618 400568650 /nfs/dbraw/zinc/56/86/50/400568650.db2.gz QCKYOIMUEYBKHR-OAHLLOKOSA-N 2 2 322.412 3.193 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358223677 286002514 /nfs/dbraw/zinc/00/25/14/286002514.db2.gz LHFDGZFNKPWXIH-KRWDZBQOSA-N 2 2 318.461 3.014 10 0 DGAELP COCCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358223677 286002517 /nfs/dbraw/zinc/00/25/17/286002517.db2.gz LHFDGZFNKPWXIH-KRWDZBQOSA-N 2 2 318.461 3.014 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358301908 286025476 /nfs/dbraw/zinc/02/54/76/286025476.db2.gz PPRWXQUMEIRTTQ-INMHGKMJSA-N 2 2 323.431 3.460 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000358301908 286025478 /nfs/dbraw/zinc/02/54/78/286025478.db2.gz PPRWXQUMEIRTTQ-INMHGKMJSA-N 2 2 323.431 3.460 10 0 DGAELP Cc1ncsc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608075298 401180325 /nfs/dbraw/zinc/18/03/25/401180325.db2.gz VBSIBPDVNUAWIB-HNNXBMFYSA-N 2 2 312.442 3.259 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@H]3CCCC34CC4)c12 ZINC000630384666 401255931 /nfs/dbraw/zinc/25/59/31/401255931.db2.gz CSMBJMIWGXWPLN-CYBMUJFWSA-N 2 2 320.400 3.203 10 0 DGAELP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000623657168 401563234 /nfs/dbraw/zinc/56/32/34/401563234.db2.gz KSWSSSJCIAKNFV-NSHDSACASA-N 2 2 317.296 3.332 10 0 DGAELP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000623657168 401563236 /nfs/dbraw/zinc/56/32/36/401563236.db2.gz KSWSSSJCIAKNFV-NSHDSACASA-N 2 2 317.296 3.332 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886600 401564171 /nfs/dbraw/zinc/56/41/71/401564171.db2.gz KUBZLAJQYOYJQG-IUODEOHRSA-N 2 2 309.251 3.023 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886600 401564175 /nfs/dbraw/zinc/56/41/75/401564175.db2.gz KUBZLAJQYOYJQG-IUODEOHRSA-N 2 2 309.251 3.023 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH+]c1 ZINC000364385820 287020741 /nfs/dbraw/zinc/02/07/41/287020741.db2.gz LWZWXQYTNRAPHO-FGTMMUONSA-N 2 2 317.477 3.459 10 0 DGAELP Fc1ccc(F)c([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000191684987 165265397 /nfs/dbraw/zinc/26/53/97/165265397.db2.gz DPBQRDOGYONPRJ-CQSZACIVSA-N 2 2 305.372 3.431 10 0 DGAELP Fc1ccc(F)c([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000191684987 165265399 /nfs/dbraw/zinc/26/53/99/165265399.db2.gz DPBQRDOGYONPRJ-CQSZACIVSA-N 2 2 305.372 3.431 10 0 DGAELP Clc1ccsc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000193000646 165314881 /nfs/dbraw/zinc/31/48/81/165314881.db2.gz RARQCJPPKYVBKB-UHFFFAOYSA-N 2 2 304.806 3.272 10 0 DGAELP O=C(CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000182329100 432179134 /nfs/dbraw/zinc/17/91/34/432179134.db2.gz ZNBHEGMAKCINBS-INIZCTEOSA-N 2 2 309.413 3.088 10 0 DGAELP O=C(CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000182329100 432179141 /nfs/dbraw/zinc/17/91/41/432179141.db2.gz ZNBHEGMAKCINBS-INIZCTEOSA-N 2 2 309.413 3.088 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000137597639 432179764 /nfs/dbraw/zinc/17/97/64/432179764.db2.gz DNWQAPQMXGKCGK-MRXNPFEDSA-N 2 2 301.409 3.464 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000137597639 432179766 /nfs/dbraw/zinc/17/97/66/432179766.db2.gz DNWQAPQMXGKCGK-MRXNPFEDSA-N 2 2 301.409 3.464 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246919841 432181832 /nfs/dbraw/zinc/18/18/32/432181832.db2.gz GMSRJFFODAKBIN-RHSMWYFYSA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1Cl ZINC000246919841 432181838 /nfs/dbraw/zinc/18/18/38/432181838.db2.gz GMSRJFFODAKBIN-RHSMWYFYSA-N 2 2 319.836 3.043 10 0 DGAELP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246883209 432175997 /nfs/dbraw/zinc/17/59/97/432175997.db2.gz BCVHKAGUCLURBO-HNAYVOBHSA-N 2 2 320.452 3.462 10 0 DGAELP CC[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000246883209 432176000 /nfs/dbraw/zinc/17/60/00/432176000.db2.gz BCVHKAGUCLURBO-HNAYVOBHSA-N 2 2 320.452 3.462 10 0 DGAELP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000246876606 432176187 /nfs/dbraw/zinc/17/61/87/432176187.db2.gz CLFYHLDLMGRYPE-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000246876606 432176190 /nfs/dbraw/zinc/17/61/90/432176190.db2.gz CLFYHLDLMGRYPE-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000246876606 432176192 /nfs/dbraw/zinc/17/61/92/432176192.db2.gz CLFYHLDLMGRYPE-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000246876606 432176195 /nfs/dbraw/zinc/17/61/95/432176195.db2.gz CLFYHLDLMGRYPE-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247180926 432208712 /nfs/dbraw/zinc/20/87/12/432208712.db2.gz VVPWFRBNAUSEDH-TZMCWYRMSA-N 2 2 317.437 3.098 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nc(C(C)(C)C)no1 ZINC000247180926 432208715 /nfs/dbraw/zinc/20/87/15/432208715.db2.gz VVPWFRBNAUSEDH-TZMCWYRMSA-N 2 2 317.437 3.098 10 0 DGAELP C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@@H](c2ccccc2)O1 ZINC000247121072 432204258 /nfs/dbraw/zinc/20/42/58/432204258.db2.gz MPMPURGHZGWXDH-MJGOQNOKSA-N 2 2 302.462 3.324 10 0 DGAELP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H](c2ccccc2)O1 ZINC000247121072 432204259 /nfs/dbraw/zinc/20/42/59/432204259.db2.gz MPMPURGHZGWXDH-MJGOQNOKSA-N 2 2 302.462 3.324 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000123798185 545907960 /nfs/dbraw/zinc/90/79/60/545907960.db2.gz GIAVBAMBINFSHX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000123798185 545907963 /nfs/dbraw/zinc/90/79/63/545907963.db2.gz GIAVBAMBINFSHX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000123798185 545907965 /nfs/dbraw/zinc/90/79/65/545907965.db2.gz GIAVBAMBINFSHX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000123798185 545907966 /nfs/dbraw/zinc/90/79/66/545907966.db2.gz GIAVBAMBINFSHX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000299740355 229374649 /nfs/dbraw/zinc/37/46/49/229374649.db2.gz YVLDYKAOGSKBSH-AWEZNQCLSA-N 2 2 322.412 3.350 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4ccccc4o3)C1)CCCC2 ZINC000299740355 229374653 /nfs/dbraw/zinc/37/46/53/229374653.db2.gz YVLDYKAOGSKBSH-AWEZNQCLSA-N 2 2 322.412 3.350 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187812118 263680860 /nfs/dbraw/zinc/68/08/60/263680860.db2.gz RROKGVVXYFHNSW-RHSMWYFYSA-N 2 2 310.869 3.144 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000187812118 263680862 /nfs/dbraw/zinc/68/08/62/263680862.db2.gz RROKGVVXYFHNSW-RHSMWYFYSA-N 2 2 310.869 3.144 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191259591 432240181 /nfs/dbraw/zinc/24/01/81/432240181.db2.gz VQDJXZHVRBXPEC-AAEUAGOBSA-N 2 2 302.871 3.163 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191259591 432240183 /nfs/dbraw/zinc/24/01/83/432240183.db2.gz VQDJXZHVRBXPEC-AAEUAGOBSA-N 2 2 302.871 3.163 10 0 DGAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921314 432254770 /nfs/dbraw/zinc/25/47/70/432254770.db2.gz BFDIFFACZPQNJJ-MDZRGWNJSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921314 432254771 /nfs/dbraw/zinc/25/47/71/432254771.db2.gz BFDIFFACZPQNJJ-MDZRGWNJSA-N 2 2 301.478 3.460 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000183113288 432260568 /nfs/dbraw/zinc/26/05/68/432260568.db2.gz GANFZMYCYNLXKJ-CQSZACIVSA-N 2 2 304.463 3.436 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000183113288 432260572 /nfs/dbraw/zinc/26/05/72/432260572.db2.gz GANFZMYCYNLXKJ-CQSZACIVSA-N 2 2 304.463 3.436 10 0 DGAELP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472579329 279094567 /nfs/dbraw/zinc/09/45/67/279094567.db2.gz IKCDEWCXEZBRTE-IBGZPJMESA-N 3 2 309.542 3.306 10 0 DGAELP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472579329 279094569 /nfs/dbraw/zinc/09/45/69/279094569.db2.gz IKCDEWCXEZBRTE-IBGZPJMESA-N 3 2 309.542 3.306 10 0 DGAELP c1ccc(C[NH+]2CCC(Nc3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000110111287 431181925 /nfs/dbraw/zinc/18/19/25/431181925.db2.gz OEYPBEASFVUMEA-UHFFFAOYSA-N 2 2 308.429 3.431 10 0 DGAELP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858106 431355101 /nfs/dbraw/zinc/35/51/01/431355101.db2.gz VUGXKIYRTGKJGD-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858106 431355104 /nfs/dbraw/zinc/35/51/04/431355104.db2.gz VUGXKIYRTGKJGD-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858106 431355109 /nfs/dbraw/zinc/35/51/09/431355109.db2.gz VUGXKIYRTGKJGD-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000072858106 431355113 /nfs/dbraw/zinc/35/51/13/431355113.db2.gz VUGXKIYRTGKJGD-LSDHHAIUSA-N 2 2 314.433 3.071 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000121537117 431801625 /nfs/dbraw/zinc/80/16/25/431801625.db2.gz LFPAZEXAFMIXGS-CQSZACIVSA-N 2 2 313.405 3.018 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000122910670 431849126 /nfs/dbraw/zinc/84/91/26/431849126.db2.gz OVMOUESWOYHMSQ-INIZCTEOSA-N 2 2 323.444 3.239 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc3c(C)cccn23)C1 ZINC000122910670 431849127 /nfs/dbraw/zinc/84/91/27/431849127.db2.gz OVMOUESWOYHMSQ-INIZCTEOSA-N 2 2 323.444 3.239 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123423348 431864856 /nfs/dbraw/zinc/86/48/56/431864856.db2.gz OLVVRFAVMLMHCU-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123423348 431864859 /nfs/dbraw/zinc/86/48/59/431864859.db2.gz OLVVRFAVMLMHCU-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123423348 431864862 /nfs/dbraw/zinc/86/48/62/431864862.db2.gz OLVVRFAVMLMHCU-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123423348 431864863 /nfs/dbraw/zinc/86/48/63/431864863.db2.gz OLVVRFAVMLMHCU-YJBOKZPZSA-N 2 2 317.477 3.163 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000248145931 432271632 /nfs/dbraw/zinc/27/16/32/432271632.db2.gz QDFQZRGXPFNSOK-UONOGXRCSA-N 2 2 307.507 3.357 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000248145931 432271637 /nfs/dbraw/zinc/27/16/37/432271637.db2.gz QDFQZRGXPFNSOK-UONOGXRCSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000248145931 432271641 /nfs/dbraw/zinc/27/16/41/432271641.db2.gz QDFQZRGXPFNSOK-UONOGXRCSA-N 2 2 307.507 3.357 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(C(C)(C)C)cs3)CC[C@H]21 ZINC000248145931 432271647 /nfs/dbraw/zinc/27/16/47/432271647.db2.gz QDFQZRGXPFNSOK-UONOGXRCSA-N 2 2 307.507 3.357 10 0 DGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162600 432272463 /nfs/dbraw/zinc/27/24/63/432272463.db2.gz SJFSBPVRJGNVMW-FUHWJXTLSA-N 2 2 311.429 3.258 10 0 DGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162600 432272466 /nfs/dbraw/zinc/27/24/66/432272466.db2.gz SJFSBPVRJGNVMW-FUHWJXTLSA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162600 432272469 /nfs/dbraw/zinc/27/24/69/432272469.db2.gz SJFSBPVRJGNVMW-FUHWJXTLSA-N 2 2 311.429 3.258 10 0 DGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4)n3)CC[C@H]21 ZINC000248162600 432272473 /nfs/dbraw/zinc/27/24/73/432272473.db2.gz SJFSBPVRJGNVMW-FUHWJXTLSA-N 2 2 311.429 3.258 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000173315305 432272462 /nfs/dbraw/zinc/27/24/62/432272462.db2.gz MNKVUQXWYSCPFD-GFCCVEGCSA-N 2 2 314.339 3.396 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173744796 432298326 /nfs/dbraw/zinc/29/83/26/432298326.db2.gz SNKYBTXYKOGSAX-CYBMUJFWSA-N 2 2 319.836 3.379 10 0 DGAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173744796 432298329 /nfs/dbraw/zinc/29/83/29/432298329.db2.gz SNKYBTXYKOGSAX-CYBMUJFWSA-N 2 2 319.836 3.379 10 0 DGAELP Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000248546890 432299924 /nfs/dbraw/zinc/29/99/24/432299924.db2.gz FWVSOJKNDNVPFW-WMZOPIPTSA-N 2 2 311.429 3.347 10 0 DGAELP Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000248546890 432299931 /nfs/dbraw/zinc/29/99/31/432299931.db2.gz FWVSOJKNDNVPFW-WMZOPIPTSA-N 2 2 311.429 3.347 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000152533538 432339720 /nfs/dbraw/zinc/33/97/20/432339720.db2.gz YBIIYACWDMFPDJ-BXWFABGCSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccncc1 ZINC000152533538 432339726 /nfs/dbraw/zinc/33/97/26/432339726.db2.gz YBIIYACWDMFPDJ-BXWFABGCSA-N 2 2 310.445 3.038 10 0 DGAELP C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000249286972 432344918 /nfs/dbraw/zinc/34/49/18/432344918.db2.gz LUHGARSGVSARET-PNHOKKKMSA-N 2 2 319.408 3.181 10 0 DGAELP Fc1ccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000152102684 432305375 /nfs/dbraw/zinc/30/53/75/432305375.db2.gz FWYZEEFLAXQKTB-OAHLLOKOSA-N 2 2 317.383 3.336 10 0 DGAELP Fc1ccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1F ZINC000152102684 432305380 /nfs/dbraw/zinc/30/53/80/432305380.db2.gz FWYZEEFLAXQKTB-OAHLLOKOSA-N 2 2 317.383 3.336 10 0 DGAELP Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000174921161 432380536 /nfs/dbraw/zinc/38/05/36/432380536.db2.gz GXSJHEJAJMYJJL-HZPDHXFCSA-N 2 2 311.433 3.132 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000250107186 432363744 /nfs/dbraw/zinc/36/37/44/432363744.db2.gz SGUBLHMPSXVMQG-YTQUADARSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000250107186 432363749 /nfs/dbraw/zinc/36/37/49/432363749.db2.gz SGUBLHMPSXVMQG-YTQUADARSA-N 2 2 302.462 3.056 10 0 DGAELP C[N@H+](Cc1ccc(OCc2ccccc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000261557012 432429809 /nfs/dbraw/zinc/42/98/09/432429809.db2.gz WQLBPYZQRLDSPC-HXUWFJFHSA-N 2 2 310.441 3.435 10 0 DGAELP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000261557012 432429812 /nfs/dbraw/zinc/42/98/12/432429812.db2.gz WQLBPYZQRLDSPC-HXUWFJFHSA-N 2 2 310.441 3.435 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000175436904 432435245 /nfs/dbraw/zinc/43/52/45/432435245.db2.gz GQPXIBHVBXCESC-NSHDSACASA-N 2 2 310.854 3.393 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000175436904 432435249 /nfs/dbraw/zinc/43/52/49/432435249.db2.gz GQPXIBHVBXCESC-NSHDSACASA-N 2 2 310.854 3.393 10 0 DGAELP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261871772 432456696 /nfs/dbraw/zinc/45/66/96/432456696.db2.gz OYEPCWYIUOXBQH-CQSZACIVSA-N 2 2 302.340 3.017 10 0 DGAELP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261871772 432456698 /nfs/dbraw/zinc/45/66/98/432456698.db2.gz OYEPCWYIUOXBQH-CQSZACIVSA-N 2 2 302.340 3.017 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000262118963 432474759 /nfs/dbraw/zinc/47/47/59/432474759.db2.gz LQSUDLWMCSWGHA-SCZZXKLOSA-N 2 2 307.385 3.030 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000262118963 432474764 /nfs/dbraw/zinc/47/47/64/432474764.db2.gz LQSUDLWMCSWGHA-SCZZXKLOSA-N 2 2 307.385 3.030 10 0 DGAELP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616027 432485043 /nfs/dbraw/zinc/48/50/43/432485043.db2.gz WNZUEQFHGDOICY-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616027 432485044 /nfs/dbraw/zinc/48/50/44/432485044.db2.gz WNZUEQFHGDOICY-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H](c1ccc(Br)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193616027 432485050 /nfs/dbraw/zinc/48/50/50/432485050.db2.gz WNZUEQFHGDOICY-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP C[C@@H](c1ccc(Br)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193616027 432485051 /nfs/dbraw/zinc/48/50/51/432485051.db2.gz WNZUEQFHGDOICY-FPMFFAJLSA-N 2 2 309.251 3.004 10 0 DGAELP CCCCc1[nH]c2ccc(NC(=O)[C@H]([NH3+])[C@H](C)CC)cc2[nH+]1 ZINC000262631210 432493970 /nfs/dbraw/zinc/49/39/70/432493970.db2.gz HBNVGYZMXODAKN-BDJLRTHQSA-N 2 2 302.422 3.217 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178146344 432698397 /nfs/dbraw/zinc/69/83/97/432698397.db2.gz FUHAGRIQGJPGDP-HKUYNNGSSA-N 2 2 304.478 3.446 10 0 DGAELP COCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178146344 432698400 /nfs/dbraw/zinc/69/84/00/432698400.db2.gz FUHAGRIQGJPGDP-HKUYNNGSSA-N 2 2 304.478 3.446 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000178306737 432718181 /nfs/dbraw/zinc/71/81/81/432718181.db2.gz IFDSUNFKJAYCFF-KRWDZBQOSA-N 2 2 317.408 3.264 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOc1ccc(F)cc1 ZINC000178306737 432718185 /nfs/dbraw/zinc/71/81/85/432718185.db2.gz IFDSUNFKJAYCFF-KRWDZBQOSA-N 2 2 317.408 3.264 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000275943338 432761679 /nfs/dbraw/zinc/76/16/79/432761679.db2.gz ZIEANYBPSCKDGS-HHXXYDBFSA-N 2 2 324.472 3.346 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275943338 432761685 /nfs/dbraw/zinc/76/16/85/432761685.db2.gz ZIEANYBPSCKDGS-HHXXYDBFSA-N 2 2 324.472 3.346 10 0 DGAELP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245737084 432859836 /nfs/dbraw/zinc/85/98/36/432859836.db2.gz LAFXZJDQGRBXJA-HOCLYGCPSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245737084 432859839 /nfs/dbraw/zinc/85/98/39/432859839.db2.gz LAFXZJDQGRBXJA-HOCLYGCPSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245737084 432859840 /nfs/dbraw/zinc/85/98/40/432859840.db2.gz LAFXZJDQGRBXJA-HOCLYGCPSA-N 2 2 306.450 3.008 10 0 DGAELP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000245737084 432859843 /nfs/dbraw/zinc/85/98/43/432859843.db2.gz LAFXZJDQGRBXJA-HOCLYGCPSA-N 2 2 306.450 3.008 10 0 DGAELP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000245853141 432864911 /nfs/dbraw/zinc/86/49/11/432864911.db2.gz MVWSKXLIKVHEEY-AEFFLSMTSA-N 2 2 302.462 3.359 10 0 DGAELP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000245853141 432864914 /nfs/dbraw/zinc/86/49/14/432864914.db2.gz MVWSKXLIKVHEEY-AEFFLSMTSA-N 2 2 302.462 3.359 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246002988 432874005 /nfs/dbraw/zinc/87/40/05/432874005.db2.gz SBZAEGOSNZYWKR-KYJSFNMBSA-N 2 2 318.461 3.142 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000246002988 432874007 /nfs/dbraw/zinc/87/40/07/432874007.db2.gz SBZAEGOSNZYWKR-KYJSFNMBSA-N 2 2 318.461 3.142 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163212340 432846887 /nfs/dbraw/zinc/84/68/87/432846887.db2.gz PBKCIADSAMKAPL-MNOVXSKESA-N 2 2 303.233 3.041 10 0 DGAELP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000163212340 432846890 /nfs/dbraw/zinc/84/68/90/432846890.db2.gz PBKCIADSAMKAPL-MNOVXSKESA-N 2 2 303.233 3.041 10 0 DGAELP c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)nc1 ZINC000425423958 433238364 /nfs/dbraw/zinc/23/83/64/433238364.db2.gz VRFCOIKBRVQAIH-SFHVURJKSA-N 2 2 322.456 3.061 10 0 DGAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)nc1 ZINC000425423958 433238376 /nfs/dbraw/zinc/23/83/76/433238376.db2.gz VRFCOIKBRVQAIH-SFHVURJKSA-N 2 2 322.456 3.061 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880772 433414964 /nfs/dbraw/zinc/41/49/64/433414964.db2.gz AHFZDKHFFWPWCR-QGZVFWFLSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880772 433414970 /nfs/dbraw/zinc/41/49/70/433414970.db2.gz AHFZDKHFFWPWCR-QGZVFWFLSA-N 2 2 310.445 3.037 10 0 DGAELP c1cn(-c2ccc(C[NH2+]C[C@H]3CC34CCSCC4)cc2)c[nH+]1 ZINC000421347593 433489610 /nfs/dbraw/zinc/48/96/10/433489610.db2.gz FTLXIYMTMWQJPN-MRXNPFEDSA-N 2 2 313.470 3.495 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292169439 433490321 /nfs/dbraw/zinc/49/03/21/433490321.db2.gz PMMYBJXJBWJNFK-FQEVSTJZSA-N 2 2 314.473 3.342 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000292169439 433490333 /nfs/dbraw/zinc/49/03/33/433490333.db2.gz PMMYBJXJBWJNFK-FQEVSTJZSA-N 2 2 314.473 3.342 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000292169439 433490347 /nfs/dbraw/zinc/49/03/47/433490347.db2.gz PMMYBJXJBWJNFK-FQEVSTJZSA-N 2 2 314.473 3.342 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000292169439 433490357 /nfs/dbraw/zinc/49/03/57/433490357.db2.gz PMMYBJXJBWJNFK-FQEVSTJZSA-N 2 2 314.473 3.342 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2Br)CC[N@@H+]1C ZINC000282272959 433547403 /nfs/dbraw/zinc/54/74/03/433547403.db2.gz ARMNQRXBUYNQKJ-KOLCDFICSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2Br)CC[N@H+]1C ZINC000282272959 433547414 /nfs/dbraw/zinc/54/74/14/433547414.db2.gz ARMNQRXBUYNQKJ-KOLCDFICSA-N 2 2 303.269 3.083 10 0 DGAELP c1cc(C[NH2+]CC[NH2+]C2CCCCCC2)n(-c2ccccc2)n1 ZINC000414807321 433850588 /nfs/dbraw/zinc/85/05/88/433850588.db2.gz NXAVIUXKSSCFCZ-UHFFFAOYSA-N 2 2 312.461 3.274 10 0 DGAELP c1coc([C@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346202646 434199687 /nfs/dbraw/zinc/19/96/87/434199687.db2.gz OAIBOSQUTNNCHG-MRXNPFEDSA-N 2 2 315.398 3.100 10 0 DGAELP c1coc([C@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCO2)c1 ZINC000346202646 434199696 /nfs/dbraw/zinc/19/96/96/434199696.db2.gz OAIBOSQUTNNCHG-MRXNPFEDSA-N 2 2 315.398 3.100 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCCCO1 ZINC000382112815 434276126 /nfs/dbraw/zinc/27/61/26/434276126.db2.gz RMSOFIIQXPEROD-QFHJOOASSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCCCO1 ZINC000382112815 434276133 /nfs/dbraw/zinc/27/61/33/434276133.db2.gz RMSOFIIQXPEROD-QFHJOOASSA-N 2 2 302.462 3.197 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C2 ZINC000353615105 434270425 /nfs/dbraw/zinc/27/04/25/434270425.db2.gz XXWBMDJFWYGTFM-ZVZYQTTQSA-N 2 2 311.429 3.025 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)CC2 ZINC000353615105 434270436 /nfs/dbraw/zinc/27/04/36/434270436.db2.gz XXWBMDJFWYGTFM-ZVZYQTTQSA-N 2 2 311.429 3.025 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000358130488 434345241 /nfs/dbraw/zinc/34/52/41/434345241.db2.gz FIAFTRNDECLCKC-UHFFFAOYSA-N 2 2 307.441 3.490 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000358130488 434345257 /nfs/dbraw/zinc/34/52/57/434345257.db2.gz FIAFTRNDECLCKC-UHFFFAOYSA-N 2 2 307.441 3.490 10 0 DGAELP CC[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000397918713 434444381 /nfs/dbraw/zinc/44/43/81/434444381.db2.gz MFPCIMWNIYBGGV-UFYCRDLUSA-N 2 2 316.489 3.446 10 0 DGAELP CC[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC1 ZINC000397918713 434444392 /nfs/dbraw/zinc/44/43/92/434444392.db2.gz MFPCIMWNIYBGGV-UFYCRDLUSA-N 2 2 316.489 3.446 10 0 DGAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000398015082 434449108 /nfs/dbraw/zinc/44/91/08/434449108.db2.gz FYFQHVJZKTXLBD-ROUUACIJSA-N 2 2 306.494 3.140 10 0 DGAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)C(C)(C)C ZINC000398015082 434449118 /nfs/dbraw/zinc/44/91/18/434449118.db2.gz FYFQHVJZKTXLBD-ROUUACIJSA-N 2 2 306.494 3.140 10 0 DGAELP C[C@]1(C[NH2+]CC[C@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000400602642 434491101 /nfs/dbraw/zinc/49/11/01/434491101.db2.gz DPUCHMQHCHZYBN-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@]1(C[NH2+]CC[C@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000400602642 434491107 /nfs/dbraw/zinc/49/11/07/434491107.db2.gz DPUCHMQHCHZYBN-RBUKOAKNSA-N 2 2 302.462 3.057 10 0 DGAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCc1ccccn1 ZINC000398111891 434453410 /nfs/dbraw/zinc/45/34/10/434453410.db2.gz DIKLZDCQMNGSSO-HXUWFJFHSA-N 2 2 311.473 3.370 10 0 DGAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCc1ccccn1 ZINC000398111891 434453417 /nfs/dbraw/zinc/45/34/17/434453417.db2.gz DIKLZDCQMNGSSO-HXUWFJFHSA-N 2 2 311.473 3.370 10 0 DGAELP CCO[C@@H]1C[N@@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405793480 434526000 /nfs/dbraw/zinc/52/60/00/434526000.db2.gz PKZFMKAEXMRCGM-IXPVHAAZSA-N 2 2 317.260 3.350 10 0 DGAELP CCO[C@@H]1C[N@H+]([C@H](C)c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405793480 434526005 /nfs/dbraw/zinc/52/60/05/434526005.db2.gz PKZFMKAEXMRCGM-IXPVHAAZSA-N 2 2 317.260 3.350 10 0 DGAELP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)c2)c1 ZINC000527751550 295125346 /nfs/dbraw/zinc/12/53/46/295125346.db2.gz JGLNVYHQHNQCQC-FQEVSTJZSA-N 2 2 324.472 3.369 10 0 DGAELP c1cnn(-c2cccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)c2)c1 ZINC000527751550 295125347 /nfs/dbraw/zinc/12/53/47/295125347.db2.gz JGLNVYHQHNQCQC-FQEVSTJZSA-N 2 2 324.472 3.369 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ncccc3Cl)C2)[nH+]1 ZINC000528386254 295206187 /nfs/dbraw/zinc/20/61/87/295206187.db2.gz HISARVDAUZGVJY-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ncccc3Cl)C2)[nH+]1 ZINC000528386254 295206188 /nfs/dbraw/zinc/20/61/88/295206188.db2.gz HISARVDAUZGVJY-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCn3c(C)[nH+]c4ccccc43)C[C@H]2C1 ZINC000424252313 434665693 /nfs/dbraw/zinc/66/56/93/434665693.db2.gz DBQXFMLXLUAXIJ-GANOOXTDSA-N 2 2 313.445 3.138 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)[nH+]1 ZINC000371333011 434672466 /nfs/dbraw/zinc/67/24/66/434672466.db2.gz BSKBRCIIUOQCPN-UHFFFAOYSA-N 2 2 307.401 3.179 10 0 DGAELP Cc1nc(N2CC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC000445500946 434807260 /nfs/dbraw/zinc/80/72/60/434807260.db2.gz FAWCWOHLIRVMGQ-HNNXBMFYSA-N 2 2 322.456 3.157 10 0 DGAELP Cc1nc(N2CC[NH+]([C@H](C)c3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC000445500947 434807880 /nfs/dbraw/zinc/80/78/80/434807880.db2.gz FAWCWOHLIRVMGQ-OAHLLOKOSA-N 2 2 322.456 3.157 10 0 DGAELP c1ncc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000411700479 434818581 /nfs/dbraw/zinc/81/85/81/434818581.db2.gz ZVPUSTJNWAGAQS-AWEZNQCLSA-N 2 2 316.474 3.098 10 0 DGAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729022 435140783 /nfs/dbraw/zinc/14/07/83/435140783.db2.gz PWMDUYPNNJKSRU-WOJBJXKFSA-N 3 2 321.553 3.449 10 0 DGAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729022 435140787 /nfs/dbraw/zinc/14/07/87/435140787.db2.gz PWMDUYPNNJKSRU-WOJBJXKFSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729022 435140791 /nfs/dbraw/zinc/14/07/91/435140791.db2.gz PWMDUYPNNJKSRU-WOJBJXKFSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729022 435140794 /nfs/dbraw/zinc/14/07/94/435140794.db2.gz PWMDUYPNNJKSRU-WOJBJXKFSA-N 3 2 321.553 3.449 10 0 DGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459367 435167319 /nfs/dbraw/zinc/16/73/19/435167319.db2.gz KKDJPNCKMZFAPO-OXJNMPFZSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459367 435167324 /nfs/dbraw/zinc/16/73/24/435167324.db2.gz KKDJPNCKMZFAPO-OXJNMPFZSA-N 2 2 310.441 3.305 10 0 DGAELP c1cn(-c2csc(C[NH2+]Cc3noc4c3CCCC4)c2)c[nH+]1 ZINC000567956837 435376264 /nfs/dbraw/zinc/37/62/64/435376264.db2.gz ABKISJFLBMOCJK-UHFFFAOYSA-N 2 2 314.414 3.090 10 0 DGAELP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000513527934 435392381 /nfs/dbraw/zinc/39/23/81/435392381.db2.gz VXWVAQFDELCEIE-SFKKXYGYSA-N 2 2 322.880 3.301 10 0 DGAELP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000514834021 435440623 /nfs/dbraw/zinc/44/06/23/435440623.db2.gz WXYWSXANKXZLEH-LPHOPBHVSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000514834021 435440628 /nfs/dbraw/zinc/44/06/28/435440628.db2.gz WXYWSXANKXZLEH-LPHOPBHVSA-N 2 2 302.462 3.056 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000516470252 435533187 /nfs/dbraw/zinc/53/31/87/435533187.db2.gz KWCZJEMVPGBBSV-OAHLLOKOSA-N 2 2 310.426 3.318 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CC[C@@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000516470252 435533192 /nfs/dbraw/zinc/53/31/92/435533192.db2.gz KWCZJEMVPGBBSV-OAHLLOKOSA-N 2 2 310.426 3.318 10 0 DGAELP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059030 435701372 /nfs/dbraw/zinc/70/13/72/435701372.db2.gz QSAXFSPHELAQQM-ZWKOTPCHSA-N 2 2 324.509 3.306 10 0 DGAELP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491059030 435701374 /nfs/dbraw/zinc/70/13/74/435701374.db2.gz QSAXFSPHELAQQM-ZWKOTPCHSA-N 2 2 324.509 3.306 10 0 DGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214238 313340485 /nfs/dbraw/zinc/34/04/85/313340485.db2.gz COLMNNJWBHSNDW-GJZGRUSLSA-N 2 2 321.262 3.311 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCO1 ZINC000328648981 534815699 /nfs/dbraw/zinc/81/56/99/534815699.db2.gz UVIPGKOXCNNBEM-HPFXQQBRSA-N 2 2 303.450 3.199 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154644905 525480646 /nfs/dbraw/zinc/48/06/46/525480646.db2.gz ZJAPTRUPPHCHEC-YPMHNXCESA-N 2 2 302.340 3.330 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(OC(F)(F)F)c1 ZINC000154644905 525480649 /nfs/dbraw/zinc/48/06/49/525480649.db2.gz ZJAPTRUPPHCHEC-YPMHNXCESA-N 2 2 302.340 3.330 10 0 DGAELP COc1ccc(C[C@H](C)C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1F ZINC000470326035 536522103 /nfs/dbraw/zinc/52/21/03/536522103.db2.gz CQCAPQCESJYBKL-INIZCTEOSA-N 2 2 320.452 3.255 10 0 DGAELP COc1ccc(C[C@H](C)C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1F ZINC000470326035 536522112 /nfs/dbraw/zinc/52/21/12/536522112.db2.gz CQCAPQCESJYBKL-INIZCTEOSA-N 2 2 320.452 3.255 10 0 DGAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137076727 545982603 /nfs/dbraw/zinc/98/26/03/545982603.db2.gz HGYKRTUILRAZFJ-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000137076727 545982607 /nfs/dbraw/zinc/98/26/07/545982607.db2.gz HGYKRTUILRAZFJ-LLVKDONJSA-N 2 2 317.658 3.286 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000183142144 546171815 /nfs/dbraw/zinc/17/18/15/546171815.db2.gz IBLHWMYEKBOUCA-LBPRGKRZSA-N 2 2 323.400 3.292 10 0 DGAELP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000188409979 546205346 /nfs/dbraw/zinc/20/53/46/546205346.db2.gz ZQPHXBVBPFMMKH-ZDUSSCGKSA-N 2 2 304.463 3.302 10 0 DGAELP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000188409979 546205351 /nfs/dbraw/zinc/20/53/51/546205351.db2.gz ZQPHXBVBPFMMKH-ZDUSSCGKSA-N 2 2 304.463 3.302 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250084974 546328185 /nfs/dbraw/zinc/32/81/85/546328185.db2.gz NXSHHFUTMAZNLR-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250084974 546328186 /nfs/dbraw/zinc/32/81/86/546328186.db2.gz NXSHHFUTMAZNLR-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255491200 546335949 /nfs/dbraw/zinc/33/59/49/546335949.db2.gz VBFPZOUVRNHQTN-QLBOMPFWSA-N 2 2 300.446 3.126 10 0 DGAELP COc1ccccc1/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255491200 546335954 /nfs/dbraw/zinc/33/59/54/546335954.db2.gz VBFPZOUVRNHQTN-QLBOMPFWSA-N 2 2 300.446 3.126 10 0 DGAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000261795323 546338494 /nfs/dbraw/zinc/33/84/94/546338494.db2.gz QMVOUMDVEGWDBM-CXAGYDPISA-N 2 2 311.385 3.187 10 0 DGAELP Cc1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151106432 620423429 /nfs/dbraw/zinc/42/34/29/620423429.db2.gz OORVVVRTLGZPMU-QGZVFWFLSA-N 2 2 311.429 3.203 10 0 DGAELP Cc1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151106432 620423430 /nfs/dbraw/zinc/42/34/30/620423430.db2.gz OORVVVRTLGZPMU-QGZVFWFLSA-N 2 2 311.429 3.203 10 0 DGAELP CC(C)(C)C(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705960335 660843911 /nfs/dbraw/zinc/84/39/11/660843911.db2.gz VLJMCUDRLXFKPR-HDICACEKSA-N 2 2 314.473 3.056 10 0 DGAELP CC(C)(C)C(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705960335 660843914 /nfs/dbraw/zinc/84/39/14/660843914.db2.gz VLJMCUDRLXFKPR-HDICACEKSA-N 2 2 314.473 3.056 10 0 DGAELP CC(C)(C)C(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705960335 660843917 /nfs/dbraw/zinc/84/39/17/660843917.db2.gz VLJMCUDRLXFKPR-HDICACEKSA-N 2 2 314.473 3.056 10 0 DGAELP CC(C)(C)C(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705960335 660843920 /nfs/dbraw/zinc/84/39/20/660843920.db2.gz VLJMCUDRLXFKPR-HDICACEKSA-N 2 2 314.473 3.056 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)[nH+]1 ZINC000195516349 656212420 /nfs/dbraw/zinc/21/24/20/656212420.db2.gz YXEXEBKBWKWKBO-OAHLLOKOSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)[nH+]1 ZINC000195516349 656212423 /nfs/dbraw/zinc/21/24/23/656212423.db2.gz YXEXEBKBWKWKBO-OAHLLOKOSA-N 2 2 316.836 3.372 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720876449 658154775 /nfs/dbraw/zinc/15/47/75/658154775.db2.gz ISMMIPVGFLFIBI-SCVCMEIPSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720876449 658154778 /nfs/dbraw/zinc/15/47/78/658154778.db2.gz ISMMIPVGFLFIBI-SCVCMEIPSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000157009937 658976045 /nfs/dbraw/zinc/97/60/45/658976045.db2.gz VBTQLTOFSSUHCN-WDEREUQCSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000157009937 658976049 /nfs/dbraw/zinc/97/60/49/658976049.db2.gz VBTQLTOFSSUHCN-WDEREUQCSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189883560 661995174 /nfs/dbraw/zinc/99/51/74/661995174.db2.gz DMSWBMVJTVDWQY-DNVCBOLYSA-N 2 2 307.397 3.257 10 0 DGAELP C=CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000236632954 1202615067 /nfs/dbraw/zinc/61/50/67/1202615067.db2.gz MBPCNWWFEMZJDN-UHFFFAOYSA-N 2 2 309.251 3.189 10 0 DGAELP c1cn(CC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c[nH+]1 ZINC000236759287 1202623257 /nfs/dbraw/zinc/62/32/57/1202623257.db2.gz QOGTWHSKVJIGDO-UHFFFAOYSA-N 2 2 317.396 3.012 10 0 DGAELP CN(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000237163655 1202652858 /nfs/dbraw/zinc/65/28/58/1202652858.db2.gz GEUWBTLKRCSQAQ-UHFFFAOYSA-N 2 2 320.440 3.094 10 0 DGAELP C[C@@]1(C[NH2+]Cc2ccns2)CC[N@H+](Cc2ccccc2)C1 ZINC000404428186 1094256938 /nfs/dbraw/zinc/25/69/38/1094256938.db2.gz JYEOTSSSMJDSGU-KRWDZBQOSA-N 2 2 301.459 3.145 10 0 DGAELP C[C@@]1(C[NH2+]Cc2ccns2)CC[N@@H+](Cc2ccccc2)C1 ZINC000404428186 1094256943 /nfs/dbraw/zinc/25/69/43/1094256943.db2.gz JYEOTSSSMJDSGU-KRWDZBQOSA-N 2 2 301.459 3.145 10 0 DGAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000718030944 1104486569 /nfs/dbraw/zinc/48/65/69/1104486569.db2.gz GCQVQKBQYRUJCH-DBVUQKKJSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCCO1 ZINC000718030944 1104486573 /nfs/dbraw/zinc/48/65/73/1104486573.db2.gz GCQVQKBQYRUJCH-DBVUQKKJSA-N 2 2 316.489 3.444 10 0 DGAELP Cc1ccc2[nH+]c(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)cn2c1 ZINC000080655732 192178122 /nfs/dbraw/zinc/17/81/22/192178122.db2.gz HVQIJROGSHOOIR-MSOLQXFVSA-N 2 2 312.461 3.090 10 0 DGAELP Cc1ccc2[nH+]c(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cn2c1 ZINC000080655732 192178125 /nfs/dbraw/zinc/17/81/25/192178125.db2.gz HVQIJROGSHOOIR-MSOLQXFVSA-N 2 2 312.461 3.090 10 0 DGAELP CCc1[nH+]c(-c2ccc(F)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685289 191341506 /nfs/dbraw/zinc/34/15/06/191341506.db2.gz OJJNNSUSHJMGJJ-OAHLLOKOSA-N 2 2 314.408 3.317 10 0 DGAELP CCc1[nH+]c(-c2ccccc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000073684729 191342058 /nfs/dbraw/zinc/34/20/58/191342058.db2.gz AHFRPHDGVODSFI-HNNXBMFYSA-N 2 2 310.445 3.426 10 0 DGAELP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178284733 198841815 /nfs/dbraw/zinc/84/18/15/198841815.db2.gz SJPZJHMNGXJOMX-UKRRQHHQSA-N 2 2 317.437 3.143 10 0 DGAELP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178284733 198841817 /nfs/dbraw/zinc/84/18/17/198841817.db2.gz SJPZJHMNGXJOMX-UKRRQHHQSA-N 2 2 317.437 3.143 10 0 DGAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168722050 432070203 /nfs/dbraw/zinc/07/02/03/432070203.db2.gz IBRIVUOXAVZJNX-STQMWFEESA-N 2 2 300.393 3.149 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000179542486 199052337 /nfs/dbraw/zinc/05/23/37/199052337.db2.gz WSISJUXTVYUBDG-MRXNPFEDSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000179542486 199052339 /nfs/dbraw/zinc/05/23/39/199052339.db2.gz WSISJUXTVYUBDG-MRXNPFEDSA-N 2 2 301.438 3.060 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000180132316 199121513 /nfs/dbraw/zinc/12/15/13/199121513.db2.gz FWEBIVOBOZBHFU-CYBMUJFWSA-N 2 2 309.335 3.273 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000180132316 199121515 /nfs/dbraw/zinc/12/15/15/199121515.db2.gz FWEBIVOBOZBHFU-CYBMUJFWSA-N 2 2 309.335 3.273 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075122 200189561 /nfs/dbraw/zinc/18/95/61/200189561.db2.gz ZHIFUHUIYRJCMR-DGCLKSJQSA-N 2 2 315.255 3.204 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075122 200189562 /nfs/dbraw/zinc/18/95/62/200189562.db2.gz ZHIFUHUIYRJCMR-DGCLKSJQSA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075122 200189564 /nfs/dbraw/zinc/18/95/64/200189564.db2.gz ZHIFUHUIYRJCMR-DGCLKSJQSA-N 2 2 315.255 3.204 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)o2)[C@H](C)C1 ZINC000188075122 200189566 /nfs/dbraw/zinc/18/95/66/200189566.db2.gz ZHIFUHUIYRJCMR-DGCLKSJQSA-N 2 2 315.255 3.204 10 0 DGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3Cl)CC2)CCO1 ZINC000170928336 432087048 /nfs/dbraw/zinc/08/70/48/432087048.db2.gz ARGZZIKRAUSQOB-OAHLLOKOSA-N 2 2 322.880 3.068 10 0 DGAELP C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889720 432099475 /nfs/dbraw/zinc/09/94/75/432099475.db2.gz SWECMLVXBWTOSY-CYBMUJFWSA-N 2 2 323.425 3.432 10 0 DGAELP c1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)n(C2CCCC2)n1 ZINC000449298761 240117802 /nfs/dbraw/zinc/11/78/02/240117802.db2.gz KXYMKJJAHAPNNK-UHFFFAOYSA-N 2 2 302.466 3.105 10 0 DGAELP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000093412886 284011760 /nfs/dbraw/zinc/01/17/60/284011760.db2.gz BQHRVCLCPRHISS-UHFFFAOYSA-N 2 2 324.534 3.324 10 0 DGAELP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000093412886 284011763 /nfs/dbraw/zinc/01/17/63/284011763.db2.gz BQHRVCLCPRHISS-UHFFFAOYSA-N 2 2 324.534 3.324 10 0 DGAELP CCCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000246290673 432117453 /nfs/dbraw/zinc/11/74/53/432117453.db2.gz OROUMFYGNIPGOY-ZFWWWQNUSA-N 2 2 304.463 3.375 10 0 DGAELP CCCc1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000246290673 432117455 /nfs/dbraw/zinc/11/74/55/432117455.db2.gz OROUMFYGNIPGOY-ZFWWWQNUSA-N 2 2 304.463 3.375 10 0 DGAELP CCCn1c2ccccc2nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644135 193279984 /nfs/dbraw/zinc/27/99/84/193279984.db2.gz QPHJIVNKGODWCW-HZPDHXFCSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644135 193279986 /nfs/dbraw/zinc/27/99/86/193279986.db2.gz QPHJIVNKGODWCW-HZPDHXFCSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644135 193279990 /nfs/dbraw/zinc/27/99/90/193279990.db2.gz QPHJIVNKGODWCW-HZPDHXFCSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644135 193279992 /nfs/dbraw/zinc/27/99/92/193279992.db2.gz QPHJIVNKGODWCW-HZPDHXFCSA-N 2 2 314.477 3.361 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000093643796 193280029 /nfs/dbraw/zinc/28/00/29/193280029.db2.gz GZFRBYJSOOXAEN-AAEUAGOBSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000093643796 193280031 /nfs/dbraw/zinc/28/00/31/193280031.db2.gz GZFRBYJSOOXAEN-AAEUAGOBSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643796 193280033 /nfs/dbraw/zinc/28/00/33/193280033.db2.gz GZFRBYJSOOXAEN-AAEUAGOBSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC[NH+]1C ZINC000093643796 193280034 /nfs/dbraw/zinc/28/00/34/193280034.db2.gz GZFRBYJSOOXAEN-AAEUAGOBSA-N 2 2 316.367 3.342 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@@H+]1C ZINC000093644193 193282266 /nfs/dbraw/zinc/28/22/66/193282266.db2.gz PHNXIXBSFWRBCR-PBHICJAKSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2OC(C)(C)C3)CC[N@H+]1C ZINC000093644193 193282268 /nfs/dbraw/zinc/28/22/68/193282268.db2.gz PHNXIXBSFWRBCR-PBHICJAKSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644193 193282269 /nfs/dbraw/zinc/28/22/69/193282269.db2.gz PHNXIXBSFWRBCR-PBHICJAKSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2OC(C)(C)C3)CC[NH+]1C ZINC000093644193 193282271 /nfs/dbraw/zinc/28/22/71/193282271.db2.gz PHNXIXBSFWRBCR-PBHICJAKSA-N 2 2 302.462 3.315 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000093644377 193282585 /nfs/dbraw/zinc/28/25/85/193282585.db2.gz UHOACUQWNWMOFW-HIFRSBDPSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000093644377 193282587 /nfs/dbraw/zinc/28/25/87/193282587.db2.gz UHOACUQWNWMOFW-HIFRSBDPSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644377 193282589 /nfs/dbraw/zinc/28/25/89/193282589.db2.gz UHOACUQWNWMOFW-HIFRSBDPSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644377 193282590 /nfs/dbraw/zinc/28/25/90/193282590.db2.gz UHOACUQWNWMOFW-HIFRSBDPSA-N 2 2 316.424 3.130 10 0 DGAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121127999 284189022 /nfs/dbraw/zinc/18/90/22/284189022.db2.gz DGCNJAHQSZEAFW-HKUYNNGSSA-N 2 2 302.462 3.090 10 0 DGAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121127999 284189026 /nfs/dbraw/zinc/18/90/26/284189026.db2.gz DGCNJAHQSZEAFW-HKUYNNGSSA-N 2 2 302.462 3.090 10 0 DGAELP Cc1cccc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000246422882 432128123 /nfs/dbraw/zinc/12/81/23/432128123.db2.gz CCZYNPKOLQIYFM-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1cccc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn21 ZINC000246422882 432128127 /nfs/dbraw/zinc/12/81/27/432128127.db2.gz CCZYNPKOLQIYFM-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1cccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn21 ZINC000246422882 432128130 /nfs/dbraw/zinc/12/81/30/432128130.db2.gz CCZYNPKOLQIYFM-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1cccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn21 ZINC000246422882 432128133 /nfs/dbraw/zinc/12/81/33/432128133.db2.gz CCZYNPKOLQIYFM-LPHOPBHVSA-N 2 2 324.472 3.091 10 0 DGAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000019982996 182172906 /nfs/dbraw/zinc/17/29/06/182172906.db2.gz JGKIAHKWFMJMJF-FZMZJTMJSA-N 2 2 302.340 3.317 10 0 DGAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)C1 ZINC000019982996 182172908 /nfs/dbraw/zinc/17/29/08/182172908.db2.gz JGKIAHKWFMJMJF-FZMZJTMJSA-N 2 2 302.340 3.317 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000494375700 246140172 /nfs/dbraw/zinc/14/01/72/246140172.db2.gz QZDVDWGMVGPTBU-GOSISDBHSA-N 2 2 304.478 3.303 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000494375700 246140174 /nfs/dbraw/zinc/14/01/74/246140174.db2.gz QZDVDWGMVGPTBU-GOSISDBHSA-N 2 2 304.478 3.303 10 0 DGAELP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1csc(-c3ccccc3)n1)CC2 ZINC000494408163 246144856 /nfs/dbraw/zinc/14/48/56/246144856.db2.gz CAHAZQYFUNFGQC-AWEZNQCLSA-N 2 2 310.426 3.111 10 0 DGAELP C[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000246477990 432136574 /nfs/dbraw/zinc/13/65/74/432136574.db2.gz FTORQEHLHFGYFQ-QFBILLFUSA-N 2 2 321.428 3.152 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000246477990 432136577 /nfs/dbraw/zinc/13/65/77/432136577.db2.gz FTORQEHLHFGYFQ-QFBILLFUSA-N 2 2 321.428 3.152 10 0 DGAELP c1nc(-c2ccccc2)[nH]c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000267873704 206313990 /nfs/dbraw/zinc/31/39/90/206313990.db2.gz LNZBJMONSGWYFJ-UHFFFAOYSA-N 2 2 310.445 3.183 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246573059 432146128 /nfs/dbraw/zinc/14/61/28/432146128.db2.gz DZHWBTXODHPWSG-ZFWWWQNUSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246573059 432146132 /nfs/dbraw/zinc/14/61/32/432146132.db2.gz DZHWBTXODHPWSG-ZFWWWQNUSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246573059 432146137 /nfs/dbraw/zinc/14/61/37/432146137.db2.gz DZHWBTXODHPWSG-ZFWWWQNUSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2ccc(F)cc2nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246573059 432146139 /nfs/dbraw/zinc/14/61/39/432146139.db2.gz DZHWBTXODHPWSG-ZFWWWQNUSA-N 2 2 318.440 3.110 10 0 DGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246597597 432147365 /nfs/dbraw/zinc/14/73/65/432147365.db2.gz ORFZCDFTZCWKHK-MCIONIFRSA-N 2 2 317.437 3.208 10 0 DGAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246597597 432147369 /nfs/dbraw/zinc/14/73/69/432147369.db2.gz ORFZCDFTZCWKHK-MCIONIFRSA-N 2 2 317.437 3.208 10 0 DGAELP C[NH2+]C[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000040599835 183108307 /nfs/dbraw/zinc/10/83/07/183108307.db2.gz DPBBWYMIZQWYRW-GFCCVEGCSA-N 2 2 317.260 3.304 10 0 DGAELP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000040599835 183108312 /nfs/dbraw/zinc/10/83/12/183108312.db2.gz DPBBWYMIZQWYRW-GFCCVEGCSA-N 2 2 317.260 3.304 10 0 DGAELP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Br)cs1 ZINC000042402397 183264579 /nfs/dbraw/zinc/26/45/79/183264579.db2.gz WRESJDYKRCNDLN-LLVKDONJSA-N 2 2 305.285 3.316 10 0 DGAELP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Br)cs1 ZINC000042402397 183264581 /nfs/dbraw/zinc/26/45/81/183264581.db2.gz WRESJDYKRCNDLN-LLVKDONJSA-N 2 2 305.285 3.316 10 0 DGAELP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000110537930 194338463 /nfs/dbraw/zinc/33/84/63/194338463.db2.gz YRHLSYWDZUPDPK-KRWDZBQOSA-N 2 2 322.456 3.331 10 0 DGAELP c1ccc(CC[N@H+]2CC[C@@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000110537930 194338466 /nfs/dbraw/zinc/33/84/66/194338466.db2.gz YRHLSYWDZUPDPK-KRWDZBQOSA-N 2 2 322.456 3.331 10 0 DGAELP CC(C)[NH2+]Cc1c[nH+]c(Cc2ccc(Br)cc2)[nH]1 ZINC000062821285 184254253 /nfs/dbraw/zinc/25/42/53/184254253.db2.gz QTEMNMROHATGBM-UHFFFAOYSA-N 2 2 308.223 3.261 10 0 DGAELP Brc1ccc(Cc2[nH]c(C[NH2+]C3CC3)c[nH+]2)cc1 ZINC000062821402 184254334 /nfs/dbraw/zinc/25/43/34/184254334.db2.gz BJNQPUULGONNGL-UHFFFAOYSA-N 2 2 306.207 3.015 10 0 DGAELP Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000119960348 195070751 /nfs/dbraw/zinc/07/07/51/195070751.db2.gz HITOBMQBATVDHJ-UHFFFAOYSA-N 2 2 324.428 3.308 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CC[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443425 253116203 /nfs/dbraw/zinc/11/62/03/253116203.db2.gz OIUJFHYTLYJHDD-AEFFLSMTSA-N 2 2 317.477 3.358 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CC[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443425 253116204 /nfs/dbraw/zinc/11/62/04/253116204.db2.gz OIUJFHYTLYJHDD-AEFFLSMTSA-N 2 2 317.477 3.358 10 0 DGAELP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc[nH+]1 ZINC000337784023 253175005 /nfs/dbraw/zinc/17/50/05/253175005.db2.gz ACXDTQPVSQQZKB-KRWDZBQOSA-N 2 2 310.445 3.498 10 0 DGAELP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc[nH+]1 ZINC000337784023 253175008 /nfs/dbraw/zinc/17/50/08/253175008.db2.gz ACXDTQPVSQQZKB-KRWDZBQOSA-N 2 2 310.445 3.498 10 0 DGAELP c1ccc(N2CCCN(c3cc[nH+]c4ccccc43)CC2)[nH+]c1 ZINC000186026547 285481111 /nfs/dbraw/zinc/48/11/11/285481111.db2.gz QCKNHHYUQXXODT-UHFFFAOYSA-N 2 2 304.397 3.347 10 0 DGAELP Clc1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328624876 400182309 /nfs/dbraw/zinc/18/23/09/400182309.db2.gz CSCSCYYUJYHWQD-KRWDZBQOSA-N 2 2 315.848 3.347 10 0 DGAELP Clc1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328624876 400182314 /nfs/dbraw/zinc/18/23/14/400182314.db2.gz CSCSCYYUJYHWQD-KRWDZBQOSA-N 2 2 315.848 3.347 10 0 DGAELP Cc1ccsc1C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328636199 400183640 /nfs/dbraw/zinc/18/36/40/400183640.db2.gz NYEBLOFEKJFUSU-INIZCTEOSA-N 2 2 301.459 3.063 10 0 DGAELP Cc1ccsc1C[N@H+](Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328636199 400183645 /nfs/dbraw/zinc/18/36/45/400183645.db2.gz NYEBLOFEKJFUSU-INIZCTEOSA-N 2 2 301.459 3.063 10 0 DGAELP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609635618 400183825 /nfs/dbraw/zinc/18/38/25/400183825.db2.gz BLXCFONMTYABOO-ZWKOTPCHSA-N 2 2 324.509 3.306 10 0 DGAELP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000609635618 400183828 /nfs/dbraw/zinc/18/38/28/400183828.db2.gz BLXCFONMTYABOO-ZWKOTPCHSA-N 2 2 324.509 3.306 10 0 DGAELP CCC[NH+](CCC)CCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603885421 400730161 /nfs/dbraw/zinc/73/01/61/400730161.db2.gz SODXVWYLUFEDMR-UHFFFAOYSA-N 2 2 302.422 3.175 10 0 DGAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000626115063 401303561 /nfs/dbraw/zinc/30/35/61/401303561.db2.gz FGVMVUWVJGBIHY-UHFFFAOYSA-N 2 2 314.473 3.285 10 0 DGAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000626115063 401303563 /nfs/dbraw/zinc/30/35/63/401303563.db2.gz FGVMVUWVJGBIHY-UHFFFAOYSA-N 2 2 314.473 3.285 10 0 DGAELP c1cnc2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)ccc2n1 ZINC000634986960 401396131 /nfs/dbraw/zinc/39/61/31/401396131.db2.gz IQXDYMIFVGEYLS-QGZVFWFLSA-N 2 2 310.445 3.126 10 0 DGAELP c1cnc2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)ccc2n1 ZINC000634986960 401396134 /nfs/dbraw/zinc/39/61/34/401396134.db2.gz IQXDYMIFVGEYLS-QGZVFWFLSA-N 2 2 310.445 3.126 10 0 DGAELP Brc1ccc(C2([NH2+]CC34CC(C3)C[NH2+]4)CCC2)cc1 ZINC000634993469 401397786 /nfs/dbraw/zinc/39/77/86/401397786.db2.gz VTGOLIXOBOIWIM-UHFFFAOYSA-N 2 2 321.262 3.170 10 0 DGAELP OC1CCC([NH2+][C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000631678295 401532694 /nfs/dbraw/zinc/53/26/94/401532694.db2.gz BZDJJUVIQLDIKN-IOJLRTSASA-N 2 2 316.489 3.324 10 0 DGAELP OC1CCC([NH2+][C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631678295 401532696 /nfs/dbraw/zinc/53/26/96/401532696.db2.gz BZDJJUVIQLDIKN-IOJLRTSASA-N 2 2 316.489 3.324 10 0 DGAELP OCCC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000188076007 165111086 /nfs/dbraw/zinc/11/10/86/165111086.db2.gz KOTOCDNPSHXWST-UHFFFAOYSA-N 2 2 322.880 3.057 10 0 DGAELP FC(F)Oc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188419143 165123092 /nfs/dbraw/zinc/12/30/92/165123092.db2.gz MBIJJDCERMPINE-AWEZNQCLSA-N 2 2 307.344 3.149 10 0 DGAELP FC(F)Oc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000188419143 165123096 /nfs/dbraw/zinc/12/30/96/165123096.db2.gz MBIJJDCERMPINE-AWEZNQCLSA-N 2 2 307.344 3.149 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH+]c1 ZINC000365074953 287094520 /nfs/dbraw/zinc/09/45/20/287094520.db2.gz XRCPGIGYCFGIRE-YESZJQIVSA-N 2 2 303.450 3.069 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190483754 432162811 /nfs/dbraw/zinc/16/28/11/432162811.db2.gz RVBJHSQWAKPCPZ-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190483754 432162815 /nfs/dbraw/zinc/16/28/15/432162815.db2.gz RVBJHSQWAKPCPZ-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190483754 432162818 /nfs/dbraw/zinc/16/28/18/432162818.db2.gz RVBJHSQWAKPCPZ-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000190483754 432162821 /nfs/dbraw/zinc/16/28/21/432162821.db2.gz RVBJHSQWAKPCPZ-INIZCTEOSA-N 2 2 301.459 3.097 10 0 DGAELP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190490385 432163155 /nfs/dbraw/zinc/16/31/55/432163155.db2.gz NBAAUIXFSRVLKL-KRWDZBQOSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190490385 432163160 /nfs/dbraw/zinc/16/31/60/432163160.db2.gz NBAAUIXFSRVLKL-KRWDZBQOSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190490385 432163161 /nfs/dbraw/zinc/16/31/61/432163161.db2.gz NBAAUIXFSRVLKL-KRWDZBQOSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190490385 432163165 /nfs/dbraw/zinc/16/31/65/432163165.db2.gz NBAAUIXFSRVLKL-KRWDZBQOSA-N 2 2 313.445 3.191 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000182242999 432169817 /nfs/dbraw/zinc/16/98/17/432169817.db2.gz WHLMRFJORLFIMW-KRWDZBQOSA-N 2 2 311.429 3.355 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccc4c(c3)CCO4)C1)CCCC2 ZINC000299741158 229376206 /nfs/dbraw/zinc/37/62/06/229376206.db2.gz DDRKWOSNCJNZJF-QGZVFWFLSA-N 2 2 323.440 3.144 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc4c(c3)CCO4)C1)CCCC2 ZINC000299741158 229376210 /nfs/dbraw/zinc/37/62/10/229376210.db2.gz DDRKWOSNCJNZJF-QGZVFWFLSA-N 2 2 323.440 3.144 10 0 DGAELP c1cn(-c2csc(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2)c[nH+]1 ZINC000355575518 266121454 /nfs/dbraw/zinc/12/14/54/266121454.db2.gz ACJJRNLGRNAQJK-UHFFFAOYSA-N 3 2 316.474 3.040 10 0 DGAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334572 432238121 /nfs/dbraw/zinc/23/81/21/432238121.db2.gz VDHJQDNQDPZONB-CHWSQXEVSA-N 2 2 316.898 3.289 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1F ZINC000151493686 432250388 /nfs/dbraw/zinc/25/03/88/432250388.db2.gz HNPWMTXTGZLKPC-GFCCVEGCSA-N 2 2 314.339 3.396 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154779463 274253248 /nfs/dbraw/zinc/25/32/48/274253248.db2.gz UJKOLHAFMYIZGP-OAHLLOKOSA-N 2 2 321.428 3.184 10 0 DGAELP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079489279 431726535 /nfs/dbraw/zinc/72/65/35/431726535.db2.gz GHWSDVPEYGFVQG-CABCVRRESA-N 2 2 306.425 3.072 10 0 DGAELP C[C@@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079489279 431726542 /nfs/dbraw/zinc/72/65/42/431726542.db2.gz GHWSDVPEYGFVQG-CABCVRRESA-N 2 2 306.425 3.072 10 0 DGAELP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)o1 ZINC000030902571 431747140 /nfs/dbraw/zinc/74/71/40/431747140.db2.gz ZCIPLASDMUCRJE-BBRMVZONSA-N 2 2 308.385 3.274 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095495 431782805 /nfs/dbraw/zinc/78/28/05/431782805.db2.gz BICOHTAYAVGPNZ-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095495 431782807 /nfs/dbraw/zinc/78/28/07/431782807.db2.gz BICOHTAYAVGPNZ-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095495 431782810 /nfs/dbraw/zinc/78/28/10/431782810.db2.gz BICOHTAYAVGPNZ-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095495 431782815 /nfs/dbraw/zinc/78/28/15/431782815.db2.gz BICOHTAYAVGPNZ-APWZRJJASA-N 2 2 312.461 3.034 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123078404 431854390 /nfs/dbraw/zinc/85/43/90/431854390.db2.gz FTZYIOKZBZQHEX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123078404 431854391 /nfs/dbraw/zinc/85/43/91/431854391.db2.gz FTZYIOKZBZQHEX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123078404 431854394 /nfs/dbraw/zinc/85/43/94/431854394.db2.gz FTZYIOKZBZQHEX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123078404 431854395 /nfs/dbraw/zinc/85/43/95/431854395.db2.gz FTZYIOKZBZQHEX-UKRRQHHQSA-N 2 2 323.868 3.001 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139583 431856857 /nfs/dbraw/zinc/85/68/57/431856857.db2.gz FOHLXXKNBASKDC-KGLIPLIRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000123139583 431856858 /nfs/dbraw/zinc/85/68/58/431856858.db2.gz FOHLXXKNBASKDC-KGLIPLIRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139583 431856861 /nfs/dbraw/zinc/85/68/61/431856861.db2.gz FOHLXXKNBASKDC-KGLIPLIRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139583 431856862 /nfs/dbraw/zinc/85/68/62/431856862.db2.gz FOHLXXKNBASKDC-KGLIPLIRSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123413838 431864039 /nfs/dbraw/zinc/86/40/39/431864039.db2.gz RTEIQUOCISPGRT-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123413838 431864041 /nfs/dbraw/zinc/86/40/41/431864041.db2.gz RTEIQUOCISPGRT-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123413838 431864043 /nfs/dbraw/zinc/86/40/43/431864043.db2.gz RTEIQUOCISPGRT-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123413838 431864045 /nfs/dbraw/zinc/86/40/45/431864045.db2.gz RTEIQUOCISPGRT-ZYHUDNBSSA-N 2 2 317.296 3.425 10 0 DGAELP Cc1cccc(NC[C@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)[nH+]1 ZINC000270602707 432263317 /nfs/dbraw/zinc/26/33/17/432263317.db2.gz WEPDKAOWALIVJQ-CQSZACIVSA-N 2 2 307.401 3.205 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191991787 432321672 /nfs/dbraw/zinc/32/16/72/432321672.db2.gz LPXMTOSJOXCHLF-LJQANCHMSA-N 2 2 321.428 3.251 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191991787 432321676 /nfs/dbraw/zinc/32/16/76/432321676.db2.gz LPXMTOSJOXCHLF-LJQANCHMSA-N 2 2 321.428 3.251 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000248880927 432325018 /nfs/dbraw/zinc/32/50/18/432325018.db2.gz PMANJPNCOMGLGL-LSDHHAIUSA-N 2 2 321.465 3.203 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000248880927 432325023 /nfs/dbraw/zinc/32/50/23/432325023.db2.gz PMANJPNCOMGLGL-LSDHHAIUSA-N 2 2 321.465 3.203 10 0 DGAELP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000249685409 432353702 /nfs/dbraw/zinc/35/37/02/432353702.db2.gz GHWSDVPEYGFVQG-HUUCEWRRSA-N 2 2 306.425 3.072 10 0 DGAELP C[C@H](c1ccc(F)cc1)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000249685409 432353706 /nfs/dbraw/zinc/35/37/06/432353706.db2.gz GHWSDVPEYGFVQG-HUUCEWRRSA-N 2 2 306.425 3.072 10 0 DGAELP Cc1cnn(CCCCC[NH+]2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000173930506 432308589 /nfs/dbraw/zinc/30/85/89/432308589.db2.gz BBCPJVIOGHXEGC-MOPGFXCFSA-N 2 2 318.509 3.309 10 0 DGAELP Cc1cnn(CCCCC[NH+]2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000173930506 432308593 /nfs/dbraw/zinc/30/85/93/432308593.db2.gz BBCPJVIOGHXEGC-MOPGFXCFSA-N 2 2 318.509 3.309 10 0 DGAELP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000173930506 432308598 /nfs/dbraw/zinc/30/85/98/432308598.db2.gz BBCPJVIOGHXEGC-MOPGFXCFSA-N 2 2 318.509 3.309 10 0 DGAELP Cc1cnn(CCCCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000173930506 432308603 /nfs/dbraw/zinc/30/86/03/432308603.db2.gz BBCPJVIOGHXEGC-MOPGFXCFSA-N 2 2 318.509 3.309 10 0 DGAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949174 432382419 /nfs/dbraw/zinc/38/24/19/432382419.db2.gz FQIQFDOMDCOSLQ-MRXNPFEDSA-N 2 2 312.461 3.102 10 0 DGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949174 432382422 /nfs/dbraw/zinc/38/24/22/432382422.db2.gz FQIQFDOMDCOSLQ-MRXNPFEDSA-N 2 2 312.461 3.102 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949174 432382426 /nfs/dbraw/zinc/38/24/26/432382426.db2.gz FQIQFDOMDCOSLQ-MRXNPFEDSA-N 2 2 312.461 3.102 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000174949174 432382431 /nfs/dbraw/zinc/38/24/31/432382431.db2.gz FQIQFDOMDCOSLQ-MRXNPFEDSA-N 2 2 312.461 3.102 10 0 DGAELP C[C@]1(COc2cc[nH+]cc2)CCC[N@H+](Cc2ccncc2F)C1 ZINC000257174348 432416868 /nfs/dbraw/zinc/41/68/68/432416868.db2.gz FWRXRLFFFSXXDF-SFHVURJKSA-N 2 2 315.392 3.297 10 0 DGAELP C[C@]1(COc2cc[nH+]cc2)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000257174348 432416873 /nfs/dbraw/zinc/41/68/73/432416873.db2.gz FWRXRLFFFSXXDF-SFHVURJKSA-N 2 2 315.392 3.297 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000154526304 432504786 /nfs/dbraw/zinc/50/47/86/432504786.db2.gz JNYUZBMMZQCBLM-DZGCQCFKSA-N 2 2 309.251 3.120 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000154526304 432504788 /nfs/dbraw/zinc/50/47/88/432504788.db2.gz JNYUZBMMZQCBLM-DZGCQCFKSA-N 2 2 309.251 3.120 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635214 432510953 /nfs/dbraw/zinc/51/09/53/432510953.db2.gz YRDAVNBTDGVMAN-JQWIXIFHSA-N 2 2 302.340 3.172 10 0 DGAELP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OCC ZINC000154642676 432511529 /nfs/dbraw/zinc/51/15/29/432511529.db2.gz FZLRCQBRGHKIFG-HOCLYGCPSA-N 2 2 306.450 3.229 10 0 DGAELP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OCC ZINC000154642676 432511531 /nfs/dbraw/zinc/51/15/31/432511531.db2.gz FZLRCQBRGHKIFG-HOCLYGCPSA-N 2 2 306.450 3.229 10 0 DGAELP C[N@H+](Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262017274 432468155 /nfs/dbraw/zinc/46/81/55/432468155.db2.gz VTJJETRNOKEIFB-FUNVUKJBSA-N 2 2 305.422 3.150 10 0 DGAELP C[N@@H+](Cc1nc2ccc(F)cc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262017274 432468156 /nfs/dbraw/zinc/46/81/56/432468156.db2.gz VTJJETRNOKEIFB-FUNVUKJBSA-N 2 2 305.422 3.150 10 0 DGAELP Cc1cccc(NC[C@@H]2CCN(c3cc[nH+]cc3Cl)C2)[nH+]1 ZINC000176894512 432562837 /nfs/dbraw/zinc/56/28/37/432562837.db2.gz OKTGTNIIGKUHQJ-ZDUSSCGKSA-N 2 2 302.809 3.377 10 0 DGAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187135744 432647967 /nfs/dbraw/zinc/64/79/67/432647967.db2.gz MNSXJYKANXTNES-HOCLYGCPSA-N 2 2 308.441 3.087 10 0 DGAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187135744 432647971 /nfs/dbraw/zinc/64/79/71/432647971.db2.gz MNSXJYKANXTNES-HOCLYGCPSA-N 2 2 308.441 3.087 10 0 DGAELP Cc1nc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302087298 282009340 /nfs/dbraw/zinc/00/93/40/282009340.db2.gz KVLVMJWITGMNTJ-CQSZACIVSA-N 2 2 314.477 3.117 10 0 DGAELP Cc1nc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302087298 282009341 /nfs/dbraw/zinc/00/93/41/282009341.db2.gz KVLVMJWITGMNTJ-CQSZACIVSA-N 2 2 314.477 3.117 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000178298695 432716334 /nfs/dbraw/zinc/71/63/34/432716334.db2.gz MIKOGFLSIMVQRI-SJORKVTESA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000178298695 432716338 /nfs/dbraw/zinc/71/63/38/432716338.db2.gz MIKOGFLSIMVQRI-SJORKVTESA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc(C(C)C)n1 ZINC000178334838 432721609 /nfs/dbraw/zinc/72/16/09/432721609.db2.gz JJFYYRMXUBNOIJ-HNNXBMFYSA-N 2 2 304.463 3.436 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000178334838 432721616 /nfs/dbraw/zinc/72/16/16/432721616.db2.gz JJFYYRMXUBNOIJ-HNNXBMFYSA-N 2 2 304.463 3.436 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1F ZINC000178334032 432722379 /nfs/dbraw/zinc/72/23/79/432722379.db2.gz GNKMMEWLDNJNLC-OAHLLOKOSA-N 2 2 303.381 3.004 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1F ZINC000178334032 432722382 /nfs/dbraw/zinc/72/23/82/432722382.db2.gz GNKMMEWLDNJNLC-OAHLLOKOSA-N 2 2 303.381 3.004 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189735824 432816030 /nfs/dbraw/zinc/81/60/30/432816030.db2.gz AMRLKGZXGSMJGW-NJAFHUGGSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000189735824 432816034 /nfs/dbraw/zinc/81/60/34/432816034.db2.gz AMRLKGZXGSMJGW-NJAFHUGGSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]1CCCC[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162950744 432838504 /nfs/dbraw/zinc/83/85/04/432838504.db2.gz DKCBCDFUYOQJOH-DOMZBBRYSA-N 2 2 308.389 3.201 10 0 DGAELP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000161873088 432801683 /nfs/dbraw/zinc/80/16/83/432801683.db2.gz PANKHSHIWKOTOF-RBUKOAKNSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC[NH+]2CCCC2)C1 ZINC000161873088 432801688 /nfs/dbraw/zinc/80/16/88/432801688.db2.gz PANKHSHIWKOTOF-RBUKOAKNSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000161873088 432801691 /nfs/dbraw/zinc/80/16/91/432801691.db2.gz PANKHSHIWKOTOF-RBUKOAKNSA-N 3 2 307.526 3.059 10 0 DGAELP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000161873088 432801695 /nfs/dbraw/zinc/80/16/95/432801695.db2.gz PANKHSHIWKOTOF-RBUKOAKNSA-N 3 2 307.526 3.059 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOC[C@H]3CC3CCC3)c2)c[nH+]1 ZINC000354733332 433244536 /nfs/dbraw/zinc/24/45/36/433244536.db2.gz PJNGLFKNPMWMHL-OAHLLOKOSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOC[C@H]3CC3CCC3)c2)c[nH+]1 ZINC000354733332 433244549 /nfs/dbraw/zinc/24/45/49/433244549.db2.gz PJNGLFKNPMWMHL-OAHLLOKOSA-N 2 2 317.458 3.325 10 0 DGAELP COc1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000361928113 433455218 /nfs/dbraw/zinc/45/52/18/433455218.db2.gz VDSKQDIEHWLOSH-HNNXBMFYSA-N 2 2 322.412 3.169 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292169440 433489739 /nfs/dbraw/zinc/48/97/39/433489739.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 2 2 314.473 3.342 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000292169440 433489748 /nfs/dbraw/zinc/48/97/48/433489748.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 2 2 314.473 3.342 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000292169440 433489757 /nfs/dbraw/zinc/48/97/57/433489757.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 2 2 314.473 3.342 10 0 DGAELP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000292169440 433489765 /nfs/dbraw/zinc/48/97/65/433489765.db2.gz PMMYBJXJBWJNFK-HXUWFJFHSA-N 2 2 314.473 3.342 10 0 DGAELP Cc1nocc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000293212962 433660079 /nfs/dbraw/zinc/66/00/79/433660079.db2.gz JMPMGFZWKWSAHS-SFHVURJKSA-N 2 2 313.445 3.373 10 0 DGAELP Cc1nocc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000293212962 433660087 /nfs/dbraw/zinc/66/00/87/433660087.db2.gz JMPMGFZWKWSAHS-SFHVURJKSA-N 2 2 313.445 3.373 10 0 DGAELP c1c[nH+]c([C@@H](NC2CC([NH+]3CCCCC3)C2)c2ccccc2)[nH]1 ZINC000373521812 293285444 /nfs/dbraw/zinc/28/54/44/293285444.db2.gz LOJQMNIDFASYBP-ABHNRTSZSA-N 2 2 310.445 3.106 10 0 DGAELP Cc1cccc(NC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)[nH+]1 ZINC000301880560 433775333 /nfs/dbraw/zinc/77/53/33/433775333.db2.gz LUBPNMUYZRPFLT-UHFFFAOYSA-N 2 2 307.401 3.347 10 0 DGAELP c1cc(-c2ccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)o2)n[nH]1 ZINC000378014978 293735781 /nfs/dbraw/zinc/73/57/81/293735781.db2.gz RHHPGDMIFMSWLL-UHFFFAOYSA-N 2 2 314.433 3.166 10 0 DGAELP c1ccc(OCCCC[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414964887 433946049 /nfs/dbraw/zinc/94/60/49/433946049.db2.gz YVQCEMKCUMQCEI-FQEVSTJZSA-N 2 2 310.441 3.322 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000511030763 294399890 /nfs/dbraw/zinc/39/98/90/294399890.db2.gz PMSQXGPDRFNJED-AHRSYUTCSA-N 2 2 316.489 3.353 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000511030763 294399893 /nfs/dbraw/zinc/39/98/93/294399893.db2.gz PMSQXGPDRFNJED-AHRSYUTCSA-N 2 2 316.489 3.353 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000511031252 294399899 /nfs/dbraw/zinc/39/98/99/294399899.db2.gz PMSQXGPDRFNJED-UXPWSPDFSA-N 2 2 316.489 3.353 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCCC2)C1 ZINC000511031252 294399902 /nfs/dbraw/zinc/39/99/02/294399902.db2.gz PMSQXGPDRFNJED-UXPWSPDFSA-N 2 2 316.489 3.353 10 0 DGAELP c1coc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013953 434152552 /nfs/dbraw/zinc/15/25/52/434152552.db2.gz GCOUNPUQZPKSLR-UKRRQHHQSA-N 2 2 317.458 3.367 10 0 DGAELP c1coc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013953 434152558 /nfs/dbraw/zinc/15/25/58/434152558.db2.gz GCOUNPUQZPKSLR-UKRRQHHQSA-N 2 2 317.458 3.367 10 0 DGAELP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422991916 434154691 /nfs/dbraw/zinc/15/46/91/434154691.db2.gz QLGDHXQXJGSGCY-RCCFBDPRSA-N 2 2 302.466 3.009 10 0 DGAELP Brc1sccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000388816067 434337513 /nfs/dbraw/zinc/33/75/13/434337513.db2.gz GSSOLKLMICRCJM-JTQLQIEISA-N 2 2 315.280 3.085 10 0 DGAELP Brc1sccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000388816067 434337522 /nfs/dbraw/zinc/33/75/22/434337522.db2.gz GSSOLKLMICRCJM-JTQLQIEISA-N 2 2 315.280 3.085 10 0 DGAELP CCCOc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000358133719 434342706 /nfs/dbraw/zinc/34/27/06/434342706.db2.gz ITOIPTRODNMCHP-UHFFFAOYSA-N 2 2 318.461 3.226 10 0 DGAELP CCCOc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000358133719 434342709 /nfs/dbraw/zinc/34/27/09/434342709.db2.gz ITOIPTRODNMCHP-UHFFFAOYSA-N 2 2 318.461 3.226 10 0 DGAELP CCCOc1cc(C[NH2+]CC[N@H+]2CC=C(C)CC2)ccc1OC ZINC000358137561 434346440 /nfs/dbraw/zinc/34/64/40/434346440.db2.gz MBEZUZCLWPUBEA-UHFFFAOYSA-N 2 2 318.461 3.226 10 0 DGAELP CCCOc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1OC ZINC000358137561 434346452 /nfs/dbraw/zinc/34/64/52/434346452.db2.gz MBEZUZCLWPUBEA-UHFFFAOYSA-N 2 2 318.461 3.226 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H]2CCCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398016086 434449015 /nfs/dbraw/zinc/44/90/15/434449015.db2.gz QINFTNYRDVVOKH-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@]1(C[NH2+]C[C@H]2CCCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016086 434449026 /nfs/dbraw/zinc/44/90/26/434449026.db2.gz QINFTNYRDVVOKH-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCCOCc1ccccc1 ZINC000393951490 434399603 /nfs/dbraw/zinc/39/96/03/434399603.db2.gz YBZHLSVGPFDXHQ-FQEVSTJZSA-N 2 2 310.441 3.151 10 0 DGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCCOCc1ccccc1 ZINC000393951490 434399610 /nfs/dbraw/zinc/39/96/10/434399610.db2.gz YBZHLSVGPFDXHQ-FQEVSTJZSA-N 2 2 310.441 3.151 10 0 DGAELP Cc1nccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446873 434420600 /nfs/dbraw/zinc/42/06/00/434420600.db2.gz BKHROXIFMOVMTD-OXJNMPFZSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446873 434420608 /nfs/dbraw/zinc/42/06/08/434420608.db2.gz BKHROXIFMOVMTD-OXJNMPFZSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446873 434420615 /nfs/dbraw/zinc/42/06/15/434420615.db2.gz BKHROXIFMOVMTD-OXJNMPFZSA-N 2 2 324.472 3.270 10 0 DGAELP Cc1nccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000366446873 434420623 /nfs/dbraw/zinc/42/06/23/434420623.db2.gz BKHROXIFMOVMTD-OXJNMPFZSA-N 2 2 324.472 3.270 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400642155 434492079 /nfs/dbraw/zinc/49/20/79/434492079.db2.gz PVIJTUIDXBTHIC-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@H]2C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400642155 434492088 /nfs/dbraw/zinc/49/20/88/434492088.db2.gz PVIJTUIDXBTHIC-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP c1nc(-c2ccccc2)[nH]c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366878439 434528230 /nfs/dbraw/zinc/52/82/30/434528230.db2.gz JPOCUECOBDXFFZ-UHFFFAOYSA-N 2 2 310.445 3.183 10 0 DGAELP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c[nH+]cn1CC)CCC2 ZINC000417817417 434531936 /nfs/dbraw/zinc/53/19/36/434531936.db2.gz UYYQIQRRGYVWHG-AWEZNQCLSA-N 2 2 304.463 3.431 10 0 DGAELP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1c[nH+]cn1CC)CCC2 ZINC000417817417 434531944 /nfs/dbraw/zinc/53/19/44/434531944.db2.gz UYYQIQRRGYVWHG-AWEZNQCLSA-N 2 2 304.463 3.431 10 0 DGAELP c1cnn(-c2cccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)c2)c1 ZINC000527751552 295125197 /nfs/dbraw/zinc/12/51/97/295125197.db2.gz JGLNVYHQHNQCQC-HXUWFJFHSA-N 2 2 324.472 3.369 10 0 DGAELP c1cnn(-c2cccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)c2)c1 ZINC000527751552 295125199 /nfs/dbraw/zinc/12/51/99/295125199.db2.gz JGLNVYHQHNQCQC-HXUWFJFHSA-N 2 2 324.472 3.369 10 0 DGAELP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527808040 295134534 /nfs/dbraw/zinc/13/45/34/295134534.db2.gz PIPBIWFDGQXRIG-DOTOQJQBSA-N 2 2 300.446 3.159 10 0 DGAELP c1ccc2c(c1)OCC[C@H]2C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527808040 295134535 /nfs/dbraw/zinc/13/45/35/295134535.db2.gz PIPBIWFDGQXRIG-DOTOQJQBSA-N 2 2 300.446 3.159 10 0 DGAELP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000527808750 295134572 /nfs/dbraw/zinc/13/45/72/295134572.db2.gz KZYMVEIHWKAMNN-INIZCTEOSA-N 2 2 316.474 3.245 10 0 DGAELP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000527808750 295134575 /nfs/dbraw/zinc/13/45/75/295134575.db2.gz KZYMVEIHWKAMNN-INIZCTEOSA-N 2 2 316.474 3.245 10 0 DGAELP c1cc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)cs1 ZINC000574572290 434988544 /nfs/dbraw/zinc/98/85/44/434988544.db2.gz NACGYIWEXRIOAA-MRXNPFEDSA-N 2 2 319.499 3.447 10 0 DGAELP c1cc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cs2)cs1 ZINC000574572290 434988547 /nfs/dbraw/zinc/98/85/47/434988547.db2.gz NACGYIWEXRIOAA-MRXNPFEDSA-N 2 2 319.499 3.447 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000514834022 435441348 /nfs/dbraw/zinc/44/13/48/435441348.db2.gz WXYWSXANKXZLEH-QFBILLFUSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000514834022 435441352 /nfs/dbraw/zinc/44/13/52/435441352.db2.gz WXYWSXANKXZLEH-QFBILLFUSA-N 2 2 302.462 3.056 10 0 DGAELP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CC4CCC3CC4)CC2)ccn1 ZINC000517741212 435609876 /nfs/dbraw/zinc/60/98/76/435609876.db2.gz FEQDCMKVAPDPQU-NKELODKYSA-N 2 2 313.489 3.462 10 0 DGAELP C[NH+](C)C1CC([NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000572060960 435778451 /nfs/dbraw/zinc/77/84/51/435778451.db2.gz UBOZXHKPKZRCMJ-UHFFFAOYSA-N 2 2 323.687 3.346 10 0 DGAELP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1OCC1CC1)CCCC2 ZINC000551227232 435824751 /nfs/dbraw/zinc/82/47/51/435824751.db2.gz GLFOHKYPOPGUPJ-UHFFFAOYSA-N 2 2 311.429 3.298 10 0 DGAELP Cc1[nH+]cc(C[NH2+][C@H]2CCc3cc(Br)ccc32)n1C ZINC000657336592 436146131 /nfs/dbraw/zinc/14/61/31/436146131.db2.gz VDBZVSLKRBNZTI-HNNXBMFYSA-N 2 2 320.234 3.268 10 0 DGAELP c1ccc(OC2CCCC2)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179754 313334912 /nfs/dbraw/zinc/33/49/12/313334912.db2.gz WTDCGHHSOKYCHH-GOSISDBHSA-N 2 2 300.446 3.382 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1F ZINC000530529640 313381124 /nfs/dbraw/zinc/38/11/24/313381124.db2.gz ZOYIOLIFFYXJSR-MAUKXSAKSA-N 2 2 313.420 3.221 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1F ZINC000530529640 313381125 /nfs/dbraw/zinc/38/11/25/313381125.db2.gz ZOYIOLIFFYXJSR-MAUKXSAKSA-N 2 2 313.420 3.221 10 0 DGAELP c1cn(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c[nH+]1 ZINC000535087451 313699729 /nfs/dbraw/zinc/69/97/29/313699729.db2.gz HEHRAGJUJUVRCS-PKOBYXMFSA-N 2 2 313.445 3.421 10 0 DGAELP Cc1[nH+]cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC000563440925 315115702 /nfs/dbraw/zinc/11/57/02/315115702.db2.gz UCLWCCFPHGKHLH-YQQQUEKLSA-N 3 2 324.472 3.014 10 0 DGAELP Cc1[nH+]cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC000563440925 315115703 /nfs/dbraw/zinc/11/57/03/315115703.db2.gz UCLWCCFPHGKHLH-YQQQUEKLSA-N 3 2 324.472 3.014 10 0 DGAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000566501204 315353981 /nfs/dbraw/zinc/35/39/81/315353981.db2.gz PHUQKPHVJRYBRW-RBUKOAKNSA-N 2 2 314.473 3.200 10 0 DGAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CC4)C2)cc1 ZINC000566501204 315353983 /nfs/dbraw/zinc/35/39/83/315353983.db2.gz PHUQKPHVJRYBRW-RBUKOAKNSA-N 2 2 314.473 3.200 10 0 DGAELP c1ccc(N2CCC([NH2+]CC3Cc4ccccc4C3)CC2)[nH+]c1 ZINC000580019687 323946419 /nfs/dbraw/zinc/94/64/19/323946419.db2.gz MQCLODBAHJLKTN-UHFFFAOYSA-N 2 2 307.441 3.055 10 0 DGAELP CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000070456018 519833480 /nfs/dbraw/zinc/83/34/80/519833480.db2.gz RSNBRVUJIWVHQH-UHFFFAOYSA-N 2 2 311.433 3.074 10 0 DGAELP Cc1nc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302087297 534621493 /nfs/dbraw/zinc/62/14/93/534621493.db2.gz KVLVMJWITGMNTJ-AWEZNQCLSA-N 2 2 314.477 3.117 10 0 DGAELP Cc1nc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302087297 534621496 /nfs/dbraw/zinc/62/14/96/534621496.db2.gz KVLVMJWITGMNTJ-AWEZNQCLSA-N 2 2 314.477 3.117 10 0 DGAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCS3)C2)cc1 ZINC000156406428 526465222 /nfs/dbraw/zinc/46/52/22/526465222.db2.gz XONUEFZCTHDATL-ROUUACIJSA-N 2 2 304.503 3.179 10 0 DGAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCS3)C2)cc1 ZINC000156406428 526465228 /nfs/dbraw/zinc/46/52/28/526465228.db2.gz XONUEFZCTHDATL-ROUUACIJSA-N 2 2 304.503 3.179 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177101426 546119838 /nfs/dbraw/zinc/11/98/38/546119838.db2.gz ZTKGLKGDDBLEJF-AWEZNQCLSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177101426 546119841 /nfs/dbraw/zinc/11/98/41/546119841.db2.gz ZTKGLKGDDBLEJF-AWEZNQCLSA-N 2 2 320.234 3.310 10 0 DGAELP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000188409948 546205426 /nfs/dbraw/zinc/20/54/26/546205426.db2.gz ZQPHXBVBPFMMKH-CYBMUJFWSA-N 2 2 304.463 3.302 10 0 DGAELP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000188409948 546205431 /nfs/dbraw/zinc/20/54/31/546205431.db2.gz ZQPHXBVBPFMMKH-CYBMUJFWSA-N 2 2 304.463 3.302 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cscc2Br)CC[N@@H+]1C ZINC000304578264 546440869 /nfs/dbraw/zinc/44/08/69/546440869.db2.gz NRANEIGPAHVBPG-KOLCDFICSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]Cc2cscc2Br)CC[N@H+]1C ZINC000304578264 546440872 /nfs/dbraw/zinc/44/08/72/546440872.db2.gz NRANEIGPAHVBPG-KOLCDFICSA-N 2 2 303.269 3.083 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667819317 547312153 /nfs/dbraw/zinc/31/21/53/547312153.db2.gz TWXAYXNUYMSXGY-ZCNNSNEGSA-N 2 2 314.473 3.198 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667819317 547312157 /nfs/dbraw/zinc/31/21/57/547312157.db2.gz TWXAYXNUYMSXGY-ZCNNSNEGSA-N 2 2 314.473 3.198 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667819316 547312334 /nfs/dbraw/zinc/31/23/34/547312334.db2.gz TWXAYXNUYMSXGY-XUVXKRRUSA-N 2 2 314.473 3.198 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667819316 547312338 /nfs/dbraw/zinc/31/23/38/547312338.db2.gz TWXAYXNUYMSXGY-XUVXKRRUSA-N 2 2 314.473 3.198 10 0 DGAELP c1cn(-c2cc(C[NH2+]Cc3cccc4cccnc43)ccn2)c[nH+]1 ZINC000742697196 575013161 /nfs/dbraw/zinc/01/31/61/575013161.db2.gz STNRSTILJRVNKU-UHFFFAOYSA-N 2 2 315.380 3.105 10 0 DGAELP c1cc2cccc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)c2[nH]1 ZINC000727466376 576126699 /nfs/dbraw/zinc/12/66/99/576126699.db2.gz MEBKOFLDPUJJPL-UHFFFAOYSA-N 2 2 303.369 3.038 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000723602325 655704814 /nfs/dbraw/zinc/70/48/14/655704814.db2.gz IXEZHPKBYPOYJH-IBGZPJMESA-N 2 2 313.445 3.293 10 0 DGAELP Cc1nc(C)c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000723602325 655704815 /nfs/dbraw/zinc/70/48/15/655704815.db2.gz IXEZHPKBYPOYJH-IBGZPJMESA-N 2 2 313.445 3.293 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000221146975 657889407 /nfs/dbraw/zinc/88/94/07/657889407.db2.gz ZSBAXRHVRRNTSM-LBPRGKRZSA-N 2 2 304.381 3.482 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000221146975 657889415 /nfs/dbraw/zinc/88/94/15/657889415.db2.gz ZSBAXRHVRRNTSM-LBPRGKRZSA-N 2 2 304.381 3.482 10 0 DGAELP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000720878180 658155175 /nfs/dbraw/zinc/15/51/75/658155175.db2.gz QIGFSFMVHBVYSZ-NWDGAFQWSA-N 2 2 306.759 3.217 10 0 DGAELP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1Cl ZINC000720878180 658155178 /nfs/dbraw/zinc/15/51/78/658155178.db2.gz QIGFSFMVHBVYSZ-NWDGAFQWSA-N 2 2 306.759 3.217 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000157010090 658976757 /nfs/dbraw/zinc/97/67/57/658976757.db2.gz VBTQLTOFSSUHCN-GHMZBOCLSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000157010090 658976760 /nfs/dbraw/zinc/97/67/60/658976760.db2.gz VBTQLTOFSSUHCN-GHMZBOCLSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccnc1Cl ZINC000156233805 661860769 /nfs/dbraw/zinc/86/07/69/661860769.db2.gz ZFTZHADYGMZHPX-CYBMUJFWSA-N 2 2 316.836 3.450 10 0 DGAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccns1 ZINC000719862071 662297464 /nfs/dbraw/zinc/29/74/64/662297464.db2.gz OBBJWNBXJLJZQK-UHFFFAOYSA-N 2 2 303.475 3.186 10 0 DGAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCc1ccns1 ZINC000719862071 662297466 /nfs/dbraw/zinc/29/74/66/662297466.db2.gz OBBJWNBXJLJZQK-UHFFFAOYSA-N 2 2 303.475 3.186 10 0 DGAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000226019292 1176580040 /nfs/dbraw/zinc/58/00/40/1176580040.db2.gz QFNLVUGXPBBKTD-JXQTWKCFSA-N 2 2 323.278 3.379 10 0 DGAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000226019292 1176580044 /nfs/dbraw/zinc/58/00/44/1176580044.db2.gz QFNLVUGXPBBKTD-JXQTWKCFSA-N 2 2 323.278 3.379 10 0 DGAELP C[C@@H](CC[NH2+]Cc1cn2ccccc2n1)[N@H+](C)Cc1ccccc1 ZINC000080206512 1197046360 /nfs/dbraw/zinc/04/63/60/1197046360.db2.gz KCDKDZHHUMEOII-KRWDZBQOSA-N 2 2 322.456 3.335 10 0 DGAELP C[C@@H](CC[NH2+]Cc1cn2ccccc2n1)[N@@H+](C)Cc1ccccc1 ZINC000080206512 1197046364 /nfs/dbraw/zinc/04/63/64/1197046364.db2.gz KCDKDZHHUMEOII-KRWDZBQOSA-N 2 2 322.456 3.335 10 0 DGAELP c1oc(-c2ccccc2)nc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000119120266 1200025212 /nfs/dbraw/zinc/02/52/12/1200025212.db2.gz YPIGGPWSMDUHJC-UHFFFAOYSA-N 2 2 308.385 3.328 10 0 DGAELP c1cn(-c2ccc(C[NH2+]CCCNc3ccccc3)cc2)c[nH+]1 ZINC000124228907 1200333477 /nfs/dbraw/zinc/33/34/77/1200333477.db2.gz XHPCXQXTSXARKR-UHFFFAOYSA-N 2 2 306.413 3.464 10 0 DGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000184730382 1202818238 /nfs/dbraw/zinc/81/82/38/1202818238.db2.gz AFNGILRTYYUTEB-MRXNPFEDSA-N 2 2 320.440 3.423 10 0 DGAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000184730382 1202818243 /nfs/dbraw/zinc/81/82/43/1202818243.db2.gz AFNGILRTYYUTEB-MRXNPFEDSA-N 2 2 320.440 3.423 10 0 DGAELP Fc1cc(F)cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812412 185343179 /nfs/dbraw/zinc/34/31/79/185343179.db2.gz BEAXYFFPVSHGCM-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP Fc1cc(F)cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000092812412 185343180 /nfs/dbraw/zinc/34/31/80/185343180.db2.gz BEAXYFFPVSHGCM-CYBMUJFWSA-N 2 2 303.356 3.294 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)CCO2 ZINC000177910556 186202889 /nfs/dbraw/zinc/20/28/89/186202889.db2.gz HOUOZQIPVAMNAG-CQSZACIVSA-N 2 2 320.396 3.053 10 0 DGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCn1cc[nH+]c1 ZINC000237495976 186297134 /nfs/dbraw/zinc/29/71/34/186297134.db2.gz NLYYVYDFZDKZSI-CYBMUJFWSA-N 2 2 309.360 3.095 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000179937842 432074508 /nfs/dbraw/zinc/07/45/08/432074508.db2.gz FHTVYPOFBDAJLE-UHFFFAOYSA-N 2 2 318.461 3.168 10 0 DGAELP C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668595 199193988 /nfs/dbraw/zinc/19/39/88/199193988.db2.gz GUGOGLYUPPSYOF-LBPRGKRZSA-N 2 2 315.808 3.110 10 0 DGAELP CCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000180669413 199194510 /nfs/dbraw/zinc/19/45/10/199194510.db2.gz QNXMPMRNKABJAL-STQMWFEESA-N 2 2 311.389 3.230 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000135123485 432099622 /nfs/dbraw/zinc/09/96/22/432099622.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000135123485 432099624 /nfs/dbraw/zinc/09/96/24/432099624.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000135123485 432099626 /nfs/dbraw/zinc/09/96/26/432099626.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 2 2 318.461 3.166 10 0 DGAELP CC(C)OC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000135123485 432099630 /nfs/dbraw/zinc/09/96/30/432099630.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 2 2 318.461 3.166 10 0 DGAELP CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897495 432101722 /nfs/dbraw/zinc/10/17/22/432101722.db2.gz JYDSFTGCZURMOE-AWEZNQCLSA-N 2 2 324.432 3.033 10 0 DGAELP c1cn(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)c[nH+]1 ZINC000449072662 240005240 /nfs/dbraw/zinc/00/52/40/240005240.db2.gz GCAOUWHBEJLHSM-GOSISDBHSA-N 2 2 311.429 3.123 10 0 DGAELP c1cn2c(n1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000449371741 240160902 /nfs/dbraw/zinc/16/09/02/240160902.db2.gz YFMYOYCAVWQHCC-SFHVURJKSA-N 2 2 310.445 3.104 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449384225 240168451 /nfs/dbraw/zinc/16/84/51/240168451.db2.gz AKBWEQQDPFVTMC-WTQUMQLASA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449384225 240168458 /nfs/dbraw/zinc/16/84/58/240168458.db2.gz AKBWEQQDPFVTMC-WTQUMQLASA-N 2 2 322.880 3.180 10 0 DGAELP c1cn(-c2csc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)c2)c[nH+]1 ZINC000449482702 240235197 /nfs/dbraw/zinc/23/51/97/240235197.db2.gz ZJBSOEOXVLMHRU-CQSZACIVSA-N 2 2 317.458 3.373 10 0 DGAELP CCCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000091671065 193089729 /nfs/dbraw/zinc/08/97/29/193089729.db2.gz HCYAQCGRHFUDMA-UHFFFAOYSA-N 2 2 320.477 3.400 10 0 DGAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102423805 284022533 /nfs/dbraw/zinc/02/25/33/284022533.db2.gz AUIFEHOBLMZTPG-HXUWFJFHSA-N 2 2 322.452 3.225 10 0 DGAELP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000459436237 243368202 /nfs/dbraw/zinc/36/82/02/243368202.db2.gz FRWKDMWJHMRAJZ-UHFFFAOYSA-N 2 2 301.821 3.405 10 0 DGAELP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000459436237 243368204 /nfs/dbraw/zinc/36/82/04/243368204.db2.gz FRWKDMWJHMRAJZ-UHFFFAOYSA-N 2 2 301.821 3.405 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639834 193278517 /nfs/dbraw/zinc/27/85/17/193278517.db2.gz UOAKFGXKTCORNF-DNVCBOLYSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639834 193278518 /nfs/dbraw/zinc/27/85/18/193278518.db2.gz UOAKFGXKTCORNF-DNVCBOLYSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639834 193278520 /nfs/dbraw/zinc/27/85/20/193278520.db2.gz UOAKFGXKTCORNF-DNVCBOLYSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@H](C)C1 ZINC000093639834 193278522 /nfs/dbraw/zinc/27/85/22/193278522.db2.gz UOAKFGXKTCORNF-DNVCBOLYSA-N 2 2 312.461 3.239 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@@H+]1C ZINC000093645016 193281381 /nfs/dbraw/zinc/28/13/81/193281381.db2.gz KVFGPPBWRWHDSS-HOTGVXAUSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c(F)cccc2N2CCCC2)CC[N@H+]1C ZINC000093645016 193281383 /nfs/dbraw/zinc/28/13/83/193281383.db2.gz KVFGPPBWRWHDSS-HOTGVXAUSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645016 193281385 /nfs/dbraw/zinc/28/13/85/193281385.db2.gz KVFGPPBWRWHDSS-HOTGVXAUSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2N2CCCC2)CC[NH+]1C ZINC000093645016 193281386 /nfs/dbraw/zinc/28/13/86/193281386.db2.gz KVFGPPBWRWHDSS-HOTGVXAUSA-N 2 2 319.468 3.340 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@@H+]1C ZINC000093644376 193281713 /nfs/dbraw/zinc/28/17/13/193281713.db2.gz UHOACUQWNWMOFW-DZGCQCFKSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000093644376 193281714 /nfs/dbraw/zinc/28/17/14/193281714.db2.gz UHOACUQWNWMOFW-DZGCQCFKSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644376 193281715 /nfs/dbraw/zinc/28/17/15/193281715.db2.gz UHOACUQWNWMOFW-DZGCQCFKSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC[NH+]1C ZINC000093644376 193281716 /nfs/dbraw/zinc/28/17/16/193281716.db2.gz UHOACUQWNWMOFW-DZGCQCFKSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000093644468 193282281 /nfs/dbraw/zinc/28/22/81/193282281.db2.gz ANXXWZAZTZOPKH-GUYCJALGSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000093644468 193282283 /nfs/dbraw/zinc/28/22/83/193282283.db2.gz ANXXWZAZTZOPKH-GUYCJALGSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644468 193282285 /nfs/dbraw/zinc/28/22/85/193282285.db2.gz ANXXWZAZTZOPKH-GUYCJALGSA-N 2 2 316.424 3.130 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC[NH+]1C ZINC000093644468 193282287 /nfs/dbraw/zinc/28/22/87/193282287.db2.gz ANXXWZAZTZOPKH-GUYCJALGSA-N 2 2 316.424 3.130 10 0 DGAELP CCC[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[NH+](C)C ZINC000128315795 284371034 /nfs/dbraw/zinc/37/10/34/284371034.db2.gz QFPULKKUBDEWMZ-MRXNPFEDSA-N 2 2 314.433 3.499 10 0 DGAELP [NH3+]CC[N@H+](Cc1cc(Br)cs1)C1CCCC1 ZINC000043687692 183381419 /nfs/dbraw/zinc/38/14/19/183381419.db2.gz HKMJGWMMRQPERT-UHFFFAOYSA-N 2 2 303.269 3.214 10 0 DGAELP [NH3+]CC[N@@H+](Cc1cc(Br)cs1)C1CCCC1 ZINC000043687692 183381421 /nfs/dbraw/zinc/38/14/21/183381421.db2.gz HKMJGWMMRQPERT-UHFFFAOYSA-N 2 2 303.269 3.214 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000105896696 194162299 /nfs/dbraw/zinc/16/22/99/194162299.db2.gz XQXMZOZTKJEVAZ-AWEZNQCLSA-N 2 2 310.401 3.424 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000105896696 194162300 /nfs/dbraw/zinc/16/23/00/194162300.db2.gz XQXMZOZTKJEVAZ-AWEZNQCLSA-N 2 2 310.401 3.424 10 0 DGAELP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000119698436 195019826 /nfs/dbraw/zinc/01/98/26/195019826.db2.gz KHYAUSIJHWSIII-MOPGFXCFSA-N 2 2 302.462 3.056 10 0 DGAELP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000119698436 195019829 /nfs/dbraw/zinc/01/98/29/195019829.db2.gz KHYAUSIJHWSIII-MOPGFXCFSA-N 2 2 302.462 3.056 10 0 DGAELP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2OC)C1 ZINC000255196575 285137392 /nfs/dbraw/zinc/13/73/92/285137392.db2.gz QZQOABMYOGCQBJ-NBEHIINDSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2OC)C1 ZINC000255196575 285137395 /nfs/dbraw/zinc/13/73/95/285137395.db2.gz QZQOABMYOGCQBJ-NBEHIINDSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000255196575 285137399 /nfs/dbraw/zinc/13/73/99/285137399.db2.gz QZQOABMYOGCQBJ-NBEHIINDSA-N 2 2 302.462 3.372 10 0 DGAELP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2OC)C1 ZINC000255196575 285137403 /nfs/dbraw/zinc/13/74/03/285137403.db2.gz QZQOABMYOGCQBJ-NBEHIINDSA-N 2 2 302.462 3.372 10 0 DGAELP c1cn(-c2csc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2)c[nH+]1 ZINC000344136696 254230683 /nfs/dbraw/zinc/23/06/83/254230683.db2.gz UMQXFKUUITZGGW-UHFFFAOYSA-N 3 2 316.474 3.040 10 0 DGAELP c1cn(-c2csc(C[NH2+]Cc3ccc4c(c3)COC4)c2)c[nH+]1 ZINC000344338258 254258888 /nfs/dbraw/zinc/25/88/88/254258888.db2.gz WOKHDRZZWOYSCH-UHFFFAOYSA-N 2 2 311.410 3.254 10 0 DGAELP C[NH+](C)C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000121771759 195344841 /nfs/dbraw/zinc/34/48/41/195344841.db2.gz OKTSGXIDTWRIPE-UHFFFAOYSA-N 2 2 318.852 3.052 10 0 DGAELP CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356833760 285512710 /nfs/dbraw/zinc/51/27/10/285512710.db2.gz FNAPAJRUFSOPER-HIFRSBDPSA-N 2 2 322.415 3.054 10 0 DGAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000584614609 400086221 /nfs/dbraw/zinc/08/62/21/400086221.db2.gz VSHSEAUGMIZGFA-ZWKOTPCHSA-N 2 2 300.402 3.054 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1C1CC[NH+](CC[NH3+])CC1 ZINC000616619727 400186376 /nfs/dbraw/zinc/18/63/76/400186376.db2.gz QAEQOVYFBBRXAX-UHFFFAOYSA-N 2 2 319.449 3.172 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc2cnccc21 ZINC000616681478 400201875 /nfs/dbraw/zinc/20/18/75/400201875.db2.gz YCWAOCURCCLGQR-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc2cnccc21 ZINC000616681478 400201879 /nfs/dbraw/zinc/20/18/79/400201879.db2.gz YCWAOCURCCLGQR-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP c1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000602543128 400491989 /nfs/dbraw/zinc/49/19/89/400491989.db2.gz PMGGGGRUHJIGIB-UHFFFAOYSA-N 2 2 314.477 3.446 10 0 DGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338914 400941537 /nfs/dbraw/zinc/94/15/37/400941537.db2.gz NPJOMYKSTUBDLN-SJLPKXTDSA-N 2 2 312.461 3.046 10 0 DGAELP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338914 400941541 /nfs/dbraw/zinc/94/15/41/400941541.db2.gz NPJOMYKSTUBDLN-SJLPKXTDSA-N 2 2 312.461 3.046 10 0 DGAELP c1cn(-c2csc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)c2)c[nH+]1 ZINC000631254146 401438573 /nfs/dbraw/zinc/43/85/73/401438573.db2.gz JVWBVRDRUWJXMD-IAGOWNOFSA-N 2 2 317.458 3.371 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173744779 164705642 /nfs/dbraw/zinc/70/56/42/164705642.db2.gz SNKYBTXYKOGSAX-ZDUSSCGKSA-N 2 2 319.836 3.379 10 0 DGAELP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000173744779 164705645 /nfs/dbraw/zinc/70/56/45/164705645.db2.gz SNKYBTXYKOGSAX-ZDUSSCGKSA-N 2 2 319.836 3.379 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[nH+]c1 ZINC000365074950 287094586 /nfs/dbraw/zinc/09/45/86/287094586.db2.gz XRCPGIGYCFGIRE-GVDBMIGSSA-N 2 2 303.450 3.069 10 0 DGAELP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078248 165229409 /nfs/dbraw/zinc/22/94/09/165229409.db2.gz WRWAOCZZVMFHSV-KXBFYZLASA-N 2 2 313.445 3.464 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CCC(CO)CC1 ZINC000192119818 165282893 /nfs/dbraw/zinc/28/28/93/165282893.db2.gz KSHRQOYKSHUGEE-UHFFFAOYSA-N 2 2 313.445 3.164 10 0 DGAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CCC(CO)CC1 ZINC000192119818 165282895 /nfs/dbraw/zinc/28/28/95/165282895.db2.gz KSHRQOYKSHUGEE-UHFFFAOYSA-N 2 2 313.445 3.164 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC000190471844 432161371 /nfs/dbraw/zinc/16/13/71/432161371.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC000190471844 432161375 /nfs/dbraw/zinc/16/13/75/432161375.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000190471844 432161379 /nfs/dbraw/zinc/16/13/79/432161379.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000190471844 432161382 /nfs/dbraw/zinc/16/13/82/432161382.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 2 313.420 3.175 10 0 DGAELP Fc1cccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641973 432154561 /nfs/dbraw/zinc/15/45/61/432154561.db2.gz UGNSWPKUWSKPPA-HNNXBMFYSA-N 2 2 315.392 3.034 10 0 DGAELP Fc1cccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641973 432154564 /nfs/dbraw/zinc/15/45/64/432154564.db2.gz UGNSWPKUWSKPPA-HNNXBMFYSA-N 2 2 315.392 3.034 10 0 DGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000190436886 432157615 /nfs/dbraw/zinc/15/76/15/432157615.db2.gz BANXNODXGPIUNW-LLVKDONJSA-N 2 2 324.222 3.005 10 0 DGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246827337 432169953 /nfs/dbraw/zinc/16/99/53/432169953.db2.gz BLPBSGBHPNZKCF-PXNSSMCTSA-N 3 2 315.505 3.032 10 0 DGAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246827337 432169955 /nfs/dbraw/zinc/16/99/55/432169955.db2.gz BLPBSGBHPNZKCF-PXNSSMCTSA-N 3 2 315.505 3.032 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246911259 432179887 /nfs/dbraw/zinc/17/98/87/432179887.db2.gz PTEIOGDGDBBXAX-KBPBESRZSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246911259 432179889 /nfs/dbraw/zinc/17/98/89/432179889.db2.gz PTEIOGDGDBBXAX-KBPBESRZSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246911259 432179892 /nfs/dbraw/zinc/17/98/92/432179892.db2.gz PTEIOGDGDBBXAX-KBPBESRZSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246911259 432179895 /nfs/dbraw/zinc/17/98/95/432179895.db2.gz PTEIOGDGDBBXAX-KBPBESRZSA-N 2 2 318.440 3.110 10 0 DGAELP Cc1ccc2[nH+]c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246935677 432183719 /nfs/dbraw/zinc/18/37/19/432183719.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2[nH+]c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000246935677 432183720 /nfs/dbraw/zinc/18/37/20/432183720.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246935677 432183724 /nfs/dbraw/zinc/18/37/24/432183724.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000246935677 432183727 /nfs/dbraw/zinc/18/37/27/432183727.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000246935677 432183730 /nfs/dbraw/zinc/18/37/30/432183730.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247056918 432199039 /nfs/dbraw/zinc/19/90/39/432199039.db2.gz WAMCDWQNBQXUBG-JSGCOSHPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247056918 432199042 /nfs/dbraw/zinc/19/90/42/432199042.db2.gz WAMCDWQNBQXUBG-JSGCOSHPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247056918 432199044 /nfs/dbraw/zinc/19/90/44/432199044.db2.gz WAMCDWQNBQXUBG-JSGCOSHPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247056918 432199046 /nfs/dbraw/zinc/19/90/46/432199046.db2.gz WAMCDWQNBQXUBG-JSGCOSHPSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cc(C[NH+]2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)on1 ZINC000302147221 230124900 /nfs/dbraw/zinc/12/49/00/230124900.db2.gz ILMRKIINYICSDA-UHFFFAOYSA-N 2 2 322.412 3.162 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277921 264189125 /nfs/dbraw/zinc/18/91/25/264189125.db2.gz CUAZTXMRPFTTEC-CQSZACIVSA-N 2 2 321.428 3.085 10 0 DGAELP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277921 264189128 /nfs/dbraw/zinc/18/91/28/264189128.db2.gz CUAZTXMRPFTTEC-CQSZACIVSA-N 2 2 321.428 3.085 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000355586193 266124150 /nfs/dbraw/zinc/12/41/50/266124150.db2.gz RPLJSTZAUPMQPF-UHFFFAOYSA-N 2 2 316.474 3.245 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)CC[C@@H]3C)c2cc1C ZINC000247474138 432234531 /nfs/dbraw/zinc/23/45/31/432234531.db2.gz JMWRFYFGEVNUHS-RRQGHBQHSA-N 2 2 315.461 3.134 10 0 DGAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)CC[C@@H]3C)c2cc1C ZINC000247474138 432234534 /nfs/dbraw/zinc/23/45/34/432234534.db2.gz JMWRFYFGEVNUHS-RRQGHBQHSA-N 2 2 315.461 3.134 10 0 DGAELP Cc1cncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000248913349 279024663 /nfs/dbraw/zinc/02/46/63/279024663.db2.gz JKTUPWWGPJPRHW-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000248913349 279024664 /nfs/dbraw/zinc/02/46/64/279024664.db2.gz JKTUPWWGPJPRHW-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000248913349 279024665 /nfs/dbraw/zinc/02/46/65/279024665.db2.gz JKTUPWWGPJPRHW-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP Cc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000248913349 279024666 /nfs/dbraw/zinc/02/46/66/279024666.db2.gz JKTUPWWGPJPRHW-QZTJIDSGSA-N 2 2 301.478 3.476 10 0 DGAELP CC[C@@H](CNc1cc(C)[nH+]c(-c2ccncc2)n1)[NH+]1CCCC1 ZINC000112074249 431248349 /nfs/dbraw/zinc/24/83/49/431248349.db2.gz DELJANWOFVJXQS-INIZCTEOSA-N 2 2 311.433 3.133 10 0 DGAELP CCCc1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000114717195 431407474 /nfs/dbraw/zinc/40/74/74/431407474.db2.gz QUAGXAMYGJWSKR-CQSZACIVSA-N 2 2 316.474 3.425 10 0 DGAELP CCCc1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cs1 ZINC000114717195 431407479 /nfs/dbraw/zinc/40/74/79/431407479.db2.gz QUAGXAMYGJWSKR-CQSZACIVSA-N 2 2 316.474 3.425 10 0 DGAELP CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077455865 431598232 /nfs/dbraw/zinc/59/82/32/431598232.db2.gz NAXXAYCTIWHYMR-GOSISDBHSA-N 2 2 301.434 3.149 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2csc(Br)c2)CC[N@@H+]1C ZINC000123101376 431854915 /nfs/dbraw/zinc/85/49/15/431854915.db2.gz PXWHKYYEGJVGDH-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2csc(Br)c2)CC[N@H+]1C ZINC000123101376 431854918 /nfs/dbraw/zinc/85/49/18/431854918.db2.gz PXWHKYYEGJVGDH-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123101376 431854920 /nfs/dbraw/zinc/85/49/20/431854920.db2.gz PXWHKYYEGJVGDH-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2csc(Br)c2)CC[NH+]1C ZINC000123101376 431854922 /nfs/dbraw/zinc/85/49/22/431854922.db2.gz PXWHKYYEGJVGDH-JQWIXIFHSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@@H+]1C ZINC000123139805 431856621 /nfs/dbraw/zinc/85/66/21/431856621.db2.gz FOHLXXKNBASKDC-KBPBESRZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ncc(-c3ccccc3F)o2)CC[N@H+]1C ZINC000123139805 431856622 /nfs/dbraw/zinc/85/66/22/431856622.db2.gz FOHLXXKNBASKDC-KBPBESRZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139805 431856623 /nfs/dbraw/zinc/85/66/23/431856623.db2.gz FOHLXXKNBASKDC-KBPBESRZSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ncc(-c3ccccc3F)o2)CC[NH+]1C ZINC000123139805 431856624 /nfs/dbraw/zinc/85/66/24/431856624.db2.gz FOHLXXKNBASKDC-KBPBESRZSA-N 2 2 317.408 3.395 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)[nH+]1 ZINC000173780184 432299521 /nfs/dbraw/zinc/29/95/21/432299521.db2.gz BGVIGMIRQPITBP-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccncc3Cl)C2)[nH+]1 ZINC000173780184 432299525 /nfs/dbraw/zinc/29/95/25/432299525.db2.gz BGVIGMIRQPITBP-AWEZNQCLSA-N 2 2 316.836 3.372 10 0 DGAELP C=Cn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000248880375 432325605 /nfs/dbraw/zinc/32/56/05/432325605.db2.gz KPEGRTYNJVIUFG-IRXDYDNUSA-N 2 2 302.466 3.070 10 0 DGAELP C=Cn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cn1 ZINC000248880375 432325610 /nfs/dbraw/zinc/32/56/10/432325610.db2.gz KPEGRTYNJVIUFG-IRXDYDNUSA-N 2 2 302.466 3.070 10 0 DGAELP C=Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000248880375 432325615 /nfs/dbraw/zinc/32/56/15/432325615.db2.gz KPEGRTYNJVIUFG-IRXDYDNUSA-N 2 2 302.466 3.070 10 0 DGAELP C=Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cn1 ZINC000248880375 432325620 /nfs/dbraw/zinc/32/56/20/432325620.db2.gz KPEGRTYNJVIUFG-IRXDYDNUSA-N 2 2 302.466 3.070 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249184331 432342057 /nfs/dbraw/zinc/34/20/57/432342057.db2.gz JXHYDHQOVUYJIW-VDZJLULYSA-N 2 2 324.472 3.489 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249184331 432342061 /nfs/dbraw/zinc/34/20/61/432342061.db2.gz JXHYDHQOVUYJIW-VDZJLULYSA-N 2 2 324.472 3.489 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000252802912 432389088 /nfs/dbraw/zinc/38/90/88/432389088.db2.gz VTENVOIZIJGESL-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000252802912 432389090 /nfs/dbraw/zinc/38/90/90/432389090.db2.gz VTENVOIZIJGESL-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000252802912 432389095 /nfs/dbraw/zinc/38/90/95/432389095.db2.gz VTENVOIZIJGESL-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000252802912 432389098 /nfs/dbraw/zinc/38/90/98/432389098.db2.gz VTENVOIZIJGESL-HKUYNNGSSA-N 2 2 324.472 3.301 10 0 DGAELP C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000252802725 432389192 /nfs/dbraw/zinc/38/91/92/432389192.db2.gz PLXGZVDKWGSADV-MEDUHNTESA-N 2 2 309.335 3.384 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000252802725 432389196 /nfs/dbraw/zinc/38/91/96/432389196.db2.gz PLXGZVDKWGSADV-MEDUHNTESA-N 2 2 309.335 3.384 10 0 DGAELP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000153326244 432401009 /nfs/dbraw/zinc/40/10/09/432401009.db2.gz IRBHCOQKEIEIPV-OLZOCXBDSA-N 2 2 316.898 3.411 10 0 DGAELP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249984060 432362042 /nfs/dbraw/zinc/36/20/42/432362042.db2.gz YZKCQGJDQXNDNT-HOTGVXAUSA-N 2 2 322.880 3.098 10 0 DGAELP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000249984060 432362045 /nfs/dbraw/zinc/36/20/45/432362045.db2.gz YZKCQGJDQXNDNT-HOTGVXAUSA-N 2 2 322.880 3.098 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000261845774 432455240 /nfs/dbraw/zinc/45/52/40/432455240.db2.gz XGWZVHHXWUEKAY-UHFFFAOYSA-N 2 2 320.383 3.291 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc(OC(F)F)c1 ZINC000261845774 432455246 /nfs/dbraw/zinc/45/52/46/432455246.db2.gz XGWZVHHXWUEKAY-UHFFFAOYSA-N 2 2 320.383 3.291 10 0 DGAELP [NH3+]Cc1nc(C[NH+]2CCC(c3cccc4ccccc43)CC2)no1 ZINC000261892052 432457636 /nfs/dbraw/zinc/45/76/36/432457636.db2.gz ZUXFNRAHFGAUIU-UHFFFAOYSA-N 2 2 322.412 3.061 10 0 DGAELP C[N@H+](Cc1cc(Br)ccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261899454 432457835 /nfs/dbraw/zinc/45/78/35/432457835.db2.gz VTHMHSRNJQNHQR-AWEZNQCLSA-N 2 2 315.230 3.020 10 0 DGAELP C[N@@H+](Cc1cc(Br)ccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261899454 432457840 /nfs/dbraw/zinc/45/78/40/432457840.db2.gz VTHMHSRNJQNHQR-AWEZNQCLSA-N 2 2 315.230 3.020 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000262118965 432474969 /nfs/dbraw/zinc/47/49/69/432474969.db2.gz LQSUDLWMCSWGHA-WCBMZHEXSA-N 2 2 307.385 3.030 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000262118965 432474972 /nfs/dbraw/zinc/47/49/72/432474972.db2.gz LQSUDLWMCSWGHA-WCBMZHEXSA-N 2 2 307.385 3.030 10 0 DGAELP [NH3+]Cc1nc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)no1 ZINC000262229818 432478577 /nfs/dbraw/zinc/47/85/77/432478577.db2.gz NTNODMQMUMTQEV-UHFFFAOYSA-N 2 2 320.824 3.131 10 0 DGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154591174 432508287 /nfs/dbraw/zinc/50/82/87/432508287.db2.gz IAGHBKOKLPXAHZ-WFASDCNBSA-N 2 2 316.474 3.258 10 0 DGAELP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154591174 432508293 /nfs/dbraw/zinc/50/82/93/432508293.db2.gz IAGHBKOKLPXAHZ-WFASDCNBSA-N 2 2 316.474 3.258 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193995011 432515625 /nfs/dbraw/zinc/51/56/25/432515625.db2.gz JNXRKABYFOIKAI-BCLQGDPASA-N 2 2 323.278 3.379 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193995011 432515626 /nfs/dbraw/zinc/51/56/26/432515626.db2.gz JNXRKABYFOIKAI-BCLQGDPASA-N 2 2 323.278 3.379 10 0 DGAELP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000176379202 432517130 /nfs/dbraw/zinc/51/71/30/432517130.db2.gz BZQXBNJFVKQVID-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)sc1C ZINC000176379202 432517133 /nfs/dbraw/zinc/51/71/33/432517133.db2.gz BZQXBNJFVKQVID-AWEZNQCLSA-N 2 2 302.447 3.089 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000178313577 432719534 /nfs/dbraw/zinc/71/95/34/432719534.db2.gz IIZZCOZYYJRTDJ-HNNXBMFYSA-N 2 2 312.373 3.104 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000178313577 432719541 /nfs/dbraw/zinc/71/95/41/432719541.db2.gz IIZZCOZYYJRTDJ-HNNXBMFYSA-N 2 2 312.373 3.104 10 0 DGAELP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)cc1 ZINC000178564083 432752115 /nfs/dbraw/zinc/75/21/15/432752115.db2.gz GUZODGINUBXFAS-FUHWJXTLSA-N 2 2 320.477 3.237 10 0 DGAELP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)cc1 ZINC000178564083 432752118 /nfs/dbraw/zinc/75/21/18/432752118.db2.gz GUZODGINUBXFAS-FUHWJXTLSA-N 2 2 320.477 3.237 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245746993 432860575 /nfs/dbraw/zinc/86/05/75/432860575.db2.gz MZTHOLOMDSJABE-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245746993 432860576 /nfs/dbraw/zinc/86/05/76/432860576.db2.gz MZTHOLOMDSJABE-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000245746993 432860578 /nfs/dbraw/zinc/86/05/78/432860578.db2.gz MZTHOLOMDSJABE-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000245746993 432860580 /nfs/dbraw/zinc/86/05/80/432860580.db2.gz MZTHOLOMDSJABE-MAUKXSAKSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1n[nH]cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245752914 432861380 /nfs/dbraw/zinc/86/13/80/432861380.db2.gz HHKWQWHHXQHICM-ICSRJNTNSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1n[nH]cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245752914 432861382 /nfs/dbraw/zinc/86/13/82/432861382.db2.gz HHKWQWHHXQHICM-ICSRJNTNSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1n[nH]cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245752914 432861383 /nfs/dbraw/zinc/86/13/83/432861383.db2.gz HHKWQWHHXQHICM-ICSRJNTNSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1n[nH]cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245752914 432861385 /nfs/dbraw/zinc/86/13/85/432861385.db2.gz HHKWQWHHXQHICM-ICSRJNTNSA-N 2 2 324.472 3.205 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000245617707 432850565 /nfs/dbraw/zinc/85/05/65/432850565.db2.gz MJBKCTLKIRHEOJ-ZBFHGGJFSA-N 2 2 302.809 3.296 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc[nH+]1 ZINC000245617707 432850567 /nfs/dbraw/zinc/85/05/67/432850567.db2.gz MJBKCTLKIRHEOJ-ZBFHGGJFSA-N 2 2 302.809 3.296 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000341387733 433044847 /nfs/dbraw/zinc/04/48/47/433044847.db2.gz YTKBYIPMZMKPSL-DWRORGKVSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000341387733 433044852 /nfs/dbraw/zinc/04/48/52/433044852.db2.gz YTKBYIPMZMKPSL-DWRORGKVSA-N 2 2 306.494 3.188 10 0 DGAELP C=Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cn1 ZINC000290576020 433102145 /nfs/dbraw/zinc/10/21/45/433102145.db2.gz UEVXQERKYKAZLH-MOPGFXCFSA-N 2 2 319.412 3.199 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CC[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443428 433232887 /nfs/dbraw/zinc/23/28/87/433232887.db2.gz OIUJFHYTLYJHDD-SJLPKXTDSA-N 2 2 317.477 3.358 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CC[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000337443428 433232898 /nfs/dbraw/zinc/23/28/98/433232898.db2.gz OIUJFHYTLYJHDD-SJLPKXTDSA-N 2 2 317.477 3.358 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000246809809 290011351 /nfs/dbraw/zinc/01/13/51/290011351.db2.gz ACJYZDPAHZMIEH-FZDIXFNVSA-N 2 2 311.429 3.481 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ncc[nH]1 ZINC000375839908 433588286 /nfs/dbraw/zinc/58/82/86/433588286.db2.gz NVHSLNUFJGGQIH-GZBFAFLISA-N 2 2 304.463 3.205 10 0 DGAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ncc[nH]1 ZINC000375839908 433588297 /nfs/dbraw/zinc/58/82/97/433588297.db2.gz NVHSLNUFJGGQIH-GZBFAFLISA-N 2 2 304.463 3.205 10 0 DGAELP C[C@H]1C[C@H]([NH2+]Cc2ccsc2Br)CC[N@@H+]1C ZINC000282272955 433547554 /nfs/dbraw/zinc/54/75/54/433547554.db2.gz ARMNQRXBUYNQKJ-GXSJLCMTSA-N 2 2 303.269 3.083 10 0 DGAELP C[C@H]1C[C@H]([NH2+]Cc2ccsc2Br)CC[N@H+]1C ZINC000282272955 433547563 /nfs/dbraw/zinc/54/75/63/433547563.db2.gz ARMNQRXBUYNQKJ-GXSJLCMTSA-N 2 2 303.269 3.083 10 0 DGAELP Cc1cc[nH+]c(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC000301650373 433657085 /nfs/dbraw/zinc/65/70/85/433657085.db2.gz RUGVTKSLYCXGRC-HUUCEWRRSA-N 2 2 312.417 3.011 10 0 DGAELP c1cn(-c2csc(C[NH2+]C[C@H]3COc4ccccc43)c2)c[nH+]1 ZINC000342424474 433680717 /nfs/dbraw/zinc/68/07/17/433680717.db2.gz WEGVGNIFBXSJLQ-ZDUSSCGKSA-N 2 2 311.410 3.200 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000377415531 433879791 /nfs/dbraw/zinc/87/97/91/433879791.db2.gz YODKIEPXRXXUEX-WBVHZDCISA-N 2 2 323.440 3.259 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)CC2 ZINC000377415531 433879799 /nfs/dbraw/zinc/87/97/99/433879799.db2.gz YODKIEPXRXXUEX-WBVHZDCISA-N 2 2 323.440 3.259 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(-c3ccccc3)s1)C2 ZINC000377776236 433987666 /nfs/dbraw/zinc/98/76/66/433987666.db2.gz JZQNNENJBLBBOP-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cnc(-c3ccccc3)s1)CC2 ZINC000377776236 433987675 /nfs/dbraw/zinc/98/76/75/433987675.db2.gz JZQNNENJBLBBOP-CYBMUJFWSA-N 2 2 310.426 3.180 10 0 DGAELP CCc1cc(N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc[nH+]1 ZINC000450232962 434042598 /nfs/dbraw/zinc/04/25/98/434042598.db2.gz MLZCJJGLBKQAIS-GOSISDBHSA-N 2 2 322.412 3.010 10 0 DGAELP Cn1c[nH+]c(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000313269685 434125367 /nfs/dbraw/zinc/12/53/67/434125367.db2.gz ZTGRMRFSRJAKGX-UHFFFAOYSA-N 2 2 321.424 3.331 10 0 DGAELP Clc1ccc2oc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042524 294110649 /nfs/dbraw/zinc/11/06/49/294110649.db2.gz XAPCSNGQLDTHFL-AWEZNQCLSA-N 2 2 305.809 3.370 10 0 DGAELP Clc1ccc2oc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc2c1 ZINC000038042524 294110655 /nfs/dbraw/zinc/11/06/55/294110655.db2.gz XAPCSNGQLDTHFL-AWEZNQCLSA-N 2 2 305.809 3.370 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOC4(CCCC4)C3)c2)c[nH+]1 ZINC000346167489 434162688 /nfs/dbraw/zinc/16/26/88/434162688.db2.gz KWAVALRLKOVFJY-UHFFFAOYSA-N 2 2 303.431 3.079 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOC4(CCCC4)C3)c2)c[nH+]1 ZINC000346167489 434162703 /nfs/dbraw/zinc/16/27/03/434162703.db2.gz KWAVALRLKOVFJY-UHFFFAOYSA-N 2 2 303.431 3.079 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCCC4(CCOCC4)C3)c2)c[nH+]1 ZINC000346213568 434205336 /nfs/dbraw/zinc/20/53/36/434205336.db2.gz XRQSAAFROZGEPB-UHFFFAOYSA-N 2 2 317.458 3.326 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCCC4(CCOCC4)C3)c2)c[nH+]1 ZINC000346213568 434205348 /nfs/dbraw/zinc/20/53/48/434205348.db2.gz XRQSAAFROZGEPB-UHFFFAOYSA-N 2 2 317.458 3.326 10 0 DGAELP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000379198408 434254394 /nfs/dbraw/zinc/25/43/94/434254394.db2.gz XLWNHKSPVQFTTF-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000379198408 434254403 /nfs/dbraw/zinc/25/44/03/434254403.db2.gz XLWNHKSPVQFTTF-YTQUADARSA-N 2 2 302.462 3.198 10 0 DGAELP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000379651955 434257485 /nfs/dbraw/zinc/25/74/85/434257485.db2.gz VMYSWFLREZQJLO-QZTJIDSGSA-N 2 2 304.503 3.384 10 0 DGAELP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+]C[C@H]2CCSC2)cc1 ZINC000379651955 434257492 /nfs/dbraw/zinc/25/74/92/434257492.db2.gz VMYSWFLREZQJLO-QZTJIDSGSA-N 2 2 304.503 3.384 10 0 DGAELP c1csc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752938 434313390 /nfs/dbraw/zinc/31/33/90/434313390.db2.gz CLJINYZNRNGBNE-HIFRSBDPSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752938 434313399 /nfs/dbraw/zinc/31/33/99/434313399.db2.gz CLJINYZNRNGBNE-HIFRSBDPSA-N 2 2 317.458 3.367 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000389177465 434348675 /nfs/dbraw/zinc/34/86/75/434348675.db2.gz PJNVHHGITFHXNN-SIWZUTFBSA-N 2 2 323.278 3.379 10 0 DGAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000389177465 434348686 /nfs/dbraw/zinc/34/86/86/434348686.db2.gz PJNVHHGITFHXNN-SIWZUTFBSA-N 2 2 323.278 3.379 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000393910633 434399336 /nfs/dbraw/zinc/39/93/36/434399336.db2.gz BKBLWIQBYWDXGK-DKKFBQAASA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000393910633 434399338 /nfs/dbraw/zinc/39/93/38/434399338.db2.gz BKBLWIQBYWDXGK-DKKFBQAASA-N 2 2 302.462 3.197 10 0 DGAELP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423563892 434489618 /nfs/dbraw/zinc/48/96/18/434489618.db2.gz RRBSMXICZHOOCC-HIFRSBDPSA-N 2 2 309.251 3.168 10 0 DGAELP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527952665 295156022 /nfs/dbraw/zinc/15/60/22/295156022.db2.gz VAJHZYUJAJNQIG-PKOBYXMFSA-N 2 2 313.489 3.326 10 0 DGAELP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527952665 295156025 /nfs/dbraw/zinc/15/60/25/295156025.db2.gz VAJHZYUJAJNQIG-PKOBYXMFSA-N 2 2 313.489 3.326 10 0 DGAELP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@H]1c1cccs1 ZINC000453111529 434806012 /nfs/dbraw/zinc/80/60/12/434806012.db2.gz BZVGYPHXBFKSEL-YCPHGPKFSA-N 2 2 316.474 3.062 10 0 DGAELP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000532845337 435195058 /nfs/dbraw/zinc/19/50/58/435195058.db2.gz UVDJHYYLTXCTBO-AOIWGVFYSA-N 2 2 302.462 3.086 10 0 DGAELP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000532845337 435195059 /nfs/dbraw/zinc/19/50/59/435195059.db2.gz UVDJHYYLTXCTBO-AOIWGVFYSA-N 2 2 302.462 3.086 10 0 DGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459368 435167919 /nfs/dbraw/zinc/16/79/19/435167919.db2.gz KKDJPNCKMZFAPO-OXQOHEQNSA-N 2 2 310.441 3.305 10 0 DGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459368 435167922 /nfs/dbraw/zinc/16/79/22/435167922.db2.gz KKDJPNCKMZFAPO-OXQOHEQNSA-N 2 2 310.441 3.305 10 0 DGAELP Fc1ccc(/C=C\C[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000512133028 435344300 /nfs/dbraw/zinc/34/43/00/435344300.db2.gz XGGLHRLQFMANNM-ARJAWSKDSA-N 2 2 313.351 3.458 10 0 DGAELP c1cc2c(cccc2CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000376984808 313005785 /nfs/dbraw/zinc/00/57/85/313005785.db2.gz HLYZQKWMNAMXDJ-UHFFFAOYSA-N 2 2 320.440 3.364 10 0 DGAELP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214942 313341002 /nfs/dbraw/zinc/34/10/02/313341002.db2.gz DYHLWTLSQQNUIC-PKOBYXMFSA-N 2 2 322.456 3.124 10 0 DGAELP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530244756 313347055 /nfs/dbraw/zinc/34/70/55/313347055.db2.gz NHCGTHKWYPTXRW-IBGZPJMESA-N 2 2 323.440 3.035 10 0 DGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]C/C=C\c2ccc(F)cc2)CCO1 ZINC000548348924 314439116 /nfs/dbraw/zinc/43/91/16/314439116.db2.gz HQFKMVYRBSYRHS-IFEGVLKZSA-N 2 2 315.392 3.082 10 0 DGAELP Fc1cc(Cl)ccc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000189248707 526302527 /nfs/dbraw/zinc/30/25/27/526302527.db2.gz PUDJRZHJCCHNOW-UHFFFAOYSA-N 2 2 316.767 3.350 10 0 DGAELP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328652250 527507386 /nfs/dbraw/zinc/50/73/86/527507386.db2.gz WGNCESWMGYPPKA-QDYVCHOCSA-N 2 2 311.429 3.333 10 0 DGAELP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000094969958 545861435 /nfs/dbraw/zinc/86/14/35/545861435.db2.gz WZOAHQILMXEQCO-KGLIPLIRSA-N 2 2 307.507 3.405 10 0 DGAELP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)n1 ZINC000094969958 545861440 /nfs/dbraw/zinc/86/14/40/545861440.db2.gz WZOAHQILMXEQCO-KGLIPLIRSA-N 2 2 307.507 3.405 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000136080160 545981134 /nfs/dbraw/zinc/98/11/34/545981134.db2.gz GOPKAIHVPYRULT-HNNXBMFYSA-N 2 2 320.234 3.310 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000136080160 545981138 /nfs/dbraw/zinc/98/11/38/545981138.db2.gz GOPKAIHVPYRULT-HNNXBMFYSA-N 2 2 320.234 3.310 10 0 DGAELP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151777885 545996556 /nfs/dbraw/zinc/99/65/56/545996556.db2.gz DQYVKGVOFGIFGT-PXNSSMCTSA-N 2 2 316.489 3.130 10 0 DGAELP CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151777885 545996559 /nfs/dbraw/zinc/99/65/59/545996559.db2.gz DQYVKGVOFGIFGT-PXNSSMCTSA-N 2 2 316.489 3.130 10 0 DGAELP Cc1ccc2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc2n1 ZINC000188417907 546205489 /nfs/dbraw/zinc/20/54/89/546205489.db2.gz IRFGQMFOXMKAFK-SFHVURJKSA-N 2 2 306.413 3.404 10 0 DGAELP Cc1ccc2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)ccc2n1 ZINC000188417907 546205494 /nfs/dbraw/zinc/20/54/94/546205494.db2.gz IRFGQMFOXMKAFK-SFHVURJKSA-N 2 2 306.413 3.404 10 0 DGAELP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250268435 546328154 /nfs/dbraw/zinc/32/81/54/546328154.db2.gz YOTKABGRFFDVLT-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000250268435 546328156 /nfs/dbraw/zinc/32/81/56/546328156.db2.gz YOTKABGRFFDVLT-GOEBONIOSA-N 2 2 323.278 3.413 10 0 DGAELP CC(C)(C)c1csc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000250373203 546328646 /nfs/dbraw/zinc/32/86/46/546328646.db2.gz WZOAHQILMXEQCO-UONOGXRCSA-N 2 2 307.507 3.405 10 0 DGAELP CC(C)(C)c1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)n1 ZINC000250373203 546328650 /nfs/dbraw/zinc/32/86/50/546328650.db2.gz WZOAHQILMXEQCO-UONOGXRCSA-N 2 2 307.507 3.405 10 0 DGAELP CC[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000251888175 546331244 /nfs/dbraw/zinc/33/12/44/546331244.db2.gz VUMLQGKFBCNGCM-SMDDNHRTSA-N 2 2 315.230 3.147 10 0 DGAELP CC[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@H]1[NH3+] ZINC000251888175 546331247 /nfs/dbraw/zinc/33/12/47/546331247.db2.gz VUMLQGKFBCNGCM-SMDDNHRTSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000389848586 546753026 /nfs/dbraw/zinc/75/30/26/546753026.db2.gz SKVRRUKMANVRMS-LPTQZCDUSA-N 2 2 321.468 3.366 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000389848586 546753029 /nfs/dbraw/zinc/75/30/29/546753029.db2.gz SKVRRUKMANVRMS-LPTQZCDUSA-N 2 2 321.468 3.366 10 0 DGAELP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000261847922 655676346 /nfs/dbraw/zinc/67/63/46/655676346.db2.gz JGAVDKYMFOLYOU-RZAIGCCYSA-N 2 2 312.413 3.499 10 0 DGAELP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188398236 655689642 /nfs/dbraw/zinc/68/96/42/655689642.db2.gz XJMNQKCRCSIOEV-CQSZACIVSA-N 2 2 320.780 3.109 10 0 DGAELP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000188398236 655689643 /nfs/dbraw/zinc/68/96/43/655689643.db2.gz XJMNQKCRCSIOEV-CQSZACIVSA-N 2 2 320.780 3.109 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720876442 658154627 /nfs/dbraw/zinc/15/46/27/658154627.db2.gz ISMMIPVGFLFIBI-CKYFFXLPSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720876442 658154635 /nfs/dbraw/zinc/15/46/35/658154635.db2.gz ISMMIPVGFLFIBI-CKYFFXLPSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720877503 658154986 /nfs/dbraw/zinc/15/49/86/658154986.db2.gz PWCZANHYMUKMOA-CDMKHQONSA-N 2 2 306.759 3.470 10 0 DGAELP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720877503 658154990 /nfs/dbraw/zinc/15/49/90/658154990.db2.gz PWCZANHYMUKMOA-CDMKHQONSA-N 2 2 306.759 3.470 10 0 DGAELP Cc1noc(C)c1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379650419 1176802360 /nfs/dbraw/zinc/80/23/60/1176802360.db2.gz RTPXMODOTXZCOR-AWEZNQCLSA-N 2 2 301.434 3.292 10 0 DGAELP Cc1noc(C)c1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379650419 1176802372 /nfs/dbraw/zinc/80/23/72/1176802372.db2.gz RTPXMODOTXZCOR-AWEZNQCLSA-N 2 2 301.434 3.292 10 0 DGAELP c1cn(CC[NH2+]Cc2ccccc2OCc2ccccc2)c[nH+]1 ZINC000060831234 1195158798 /nfs/dbraw/zinc/15/87/98/1195158798.db2.gz QWZUXMAWGWUQEA-UHFFFAOYSA-N 2 2 307.397 3.252 10 0 DGAELP CCc1nc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000379679965 1197703653 /nfs/dbraw/zinc/70/36/53/1197703653.db2.gz KQIXBDDZBVEMGQ-GOSISDBHSA-N 2 2 324.472 3.236 10 0 DGAELP CCc1nc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000379679965 1197703656 /nfs/dbraw/zinc/70/36/56/1197703656.db2.gz KQIXBDDZBVEMGQ-GOSISDBHSA-N 2 2 324.472 3.236 10 0 DGAELP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(C)c1Br ZINC000719523170 1104941258 /nfs/dbraw/zinc/94/12/58/1104941258.db2.gz GLGYJPUFMBKVGQ-UHFFFAOYSA-N 2 2 322.250 3.442 10 0 DGAELP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)n(-c2ccccc2)n1 ZINC000279078809 214621702 /nfs/dbraw/zinc/62/17/02/214621702.db2.gz GVTGZNYZDORCFD-UHFFFAOYSA-N 2 2 321.428 3.249 10 0 DGAELP c1cn(-c2ccc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)cc2)c[nH+]1 ZINC000107697245 432037554 /nfs/dbraw/zinc/03/75/54/432037554.db2.gz WUMYMMQNWLHFDR-HXUWFJFHSA-N 2 2 324.472 3.323 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000166285872 432059403 /nfs/dbraw/zinc/05/94/03/432059403.db2.gz FCNSGVYVXAWLLI-HDMKZQKVSA-N 2 2 300.446 3.424 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000166285872 432059404 /nfs/dbraw/zinc/05/94/04/432059404.db2.gz FCNSGVYVXAWLLI-HDMKZQKVSA-N 2 2 300.446 3.424 10 0 DGAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2[nH]ccc21 ZINC000237014919 202122664 /nfs/dbraw/zinc/12/26/64/202122664.db2.gz BTEJUXXLQUCBQS-GOSISDBHSA-N 2 2 307.441 3.430 10 0 DGAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000166678002 432061526 /nfs/dbraw/zinc/06/15/26/432061526.db2.gz CQBXYEHBPRGGTP-KGLIPLIRSA-N 2 2 307.401 3.383 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000168487948 432069179 /nfs/dbraw/zinc/06/91/79/432069179.db2.gz BFDIFFACZPQNJJ-GJYPPUQNSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000168487948 432069181 /nfs/dbraw/zinc/06/91/81/432069181.db2.gz BFDIFFACZPQNJJ-GJYPPUQNSA-N 2 2 301.478 3.460 10 0 DGAELP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180167064 432079797 /nfs/dbraw/zinc/07/97/97/432079797.db2.gz BMPNOOPQNVFTNU-OAHLLOKOSA-N 2 2 324.431 3.180 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188116535 200195931 /nfs/dbraw/zinc/19/59/31/200195931.db2.gz JXHYDHQOVUYJIW-HHXXYDBFSA-N 2 2 324.472 3.489 10 0 DGAELP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188116535 200195933 /nfs/dbraw/zinc/19/59/33/200195933.db2.gz JXHYDHQOVUYJIW-HHXXYDBFSA-N 2 2 324.472 3.489 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@H](OCC4CC4)C3)c2)c[nH+]1 ZINC000428374041 238017910 /nfs/dbraw/zinc/01/79/10/238017910.db2.gz PETLTUUJCYBMFB-INIZCTEOSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)c2)c[nH+]1 ZINC000428374041 238017911 /nfs/dbraw/zinc/01/79/11/238017911.db2.gz PETLTUUJCYBMFB-INIZCTEOSA-N 2 2 317.458 3.325 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc(Br)cs1 ZINC000193995038 201159630 /nfs/dbraw/zinc/15/96/30/201159630.db2.gz VYSIGVRMXZZVHG-KOLCDFICSA-N 2 2 303.269 3.255 10 0 DGAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(Br)cs1 ZINC000193995038 201159634 /nfs/dbraw/zinc/15/96/34/201159634.db2.gz VYSIGVRMXZZVHG-KOLCDFICSA-N 2 2 303.269 3.255 10 0 DGAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)o1 ZINC000275515161 212385975 /nfs/dbraw/zinc/38/59/75/212385975.db2.gz KQSDZTDHUFFIIR-SDCOAXJVSA-N 2 2 315.417 3.146 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391881 240171957 /nfs/dbraw/zinc/17/19/57/240171957.db2.gz ITLXEEYCCFJZKK-NZHZHZHDSA-N 2 2 322.880 3.180 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391881 240171959 /nfs/dbraw/zinc/17/19/59/240171959.db2.gz ITLXEEYCCFJZKK-NZHZHZHDSA-N 2 2 322.880 3.180 10 0 DGAELP Cc1csc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000275205725 212194808 /nfs/dbraw/zinc/19/48/08/212194808.db2.gz AIVJNBMPYWZXFI-AWEZNQCLSA-N 2 2 316.474 3.282 10 0 DGAELP Cc1csc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000275205725 212194812 /nfs/dbraw/zinc/19/48/12/212194812.db2.gz AIVJNBMPYWZXFI-AWEZNQCLSA-N 2 2 316.474 3.282 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404824 193245176 /nfs/dbraw/zinc/24/51/76/193245176.db2.gz ZLBACMTYPAFJDM-AEFFLSMTSA-N 2 2 320.477 3.155 10 0 DGAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cc(C)ccc1OC ZINC000093404824 193245178 /nfs/dbraw/zinc/24/51/78/193245178.db2.gz ZLBACMTYPAFJDM-AEFFLSMTSA-N 2 2 320.477 3.155 10 0 DGAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493890666 246093195 /nfs/dbraw/zinc/09/31/95/246093195.db2.gz GHCMVLPKNCPWPM-IVMQYODDSA-N 2 2 302.462 3.198 10 0 DGAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042563441 183285050 /nfs/dbraw/zinc/28/50/50/183285050.db2.gz ROGYDAOSPCYMBE-QWRGUYRKSA-N 2 2 303.244 3.408 10 0 DGAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042563441 183285052 /nfs/dbraw/zinc/28/50/52/183285052.db2.gz ROGYDAOSPCYMBE-QWRGUYRKSA-N 2 2 303.244 3.408 10 0 DGAELP CC(C)[N@H+](CCC(N)=[NH2+])Cc1sccc1Br ZINC000043675707 183379157 /nfs/dbraw/zinc/37/91/57/183379157.db2.gz XRDDVELEQPXFFY-UHFFFAOYSA-N 2 2 304.257 3.047 10 0 DGAELP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1sccc1Br ZINC000043675707 183379160 /nfs/dbraw/zinc/37/91/60/183379160.db2.gz XRDDVELEQPXFFY-UHFFFAOYSA-N 2 2 304.257 3.047 10 0 DGAELP CCc1nc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cs1 ZINC000105897381 194163426 /nfs/dbraw/zinc/16/34/26/194163426.db2.gz UDBHQJDQFSCINJ-CQSZACIVSA-N 2 2 304.463 3.302 10 0 DGAELP CCc1nc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)cs1 ZINC000105897381 194163428 /nfs/dbraw/zinc/16/34/28/194163428.db2.gz UDBHQJDQFSCINJ-CQSZACIVSA-N 2 2 304.463 3.302 10 0 DGAELP Cc1c[nH+]ccc1NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248657220 285015070 /nfs/dbraw/zinc/01/50/70/285015070.db2.gz FGBORRVSGOQFSX-HOCLYGCPSA-N 2 2 317.458 3.325 10 0 DGAELP Cc1c[nH+]ccc1NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248657220 285015073 /nfs/dbraw/zinc/01/50/73/285015073.db2.gz FGBORRVSGOQFSX-HOCLYGCPSA-N 2 2 317.458 3.325 10 0 DGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000161931168 197529840 /nfs/dbraw/zinc/52/98/40/197529840.db2.gz UGEYGFRFCYVKIW-WRNCNIFXSA-N 2 2 314.473 3.053 10 0 DGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000161931168 197529842 /nfs/dbraw/zinc/52/98/42/197529842.db2.gz UGEYGFRFCYVKIW-WRNCNIFXSA-N 2 2 314.473 3.053 10 0 DGAELP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000255771092 285179330 /nfs/dbraw/zinc/17/93/30/285179330.db2.gz LHQLRGGKNVLCDL-SECOEOQKSA-N 2 2 302.462 3.372 10 0 DGAELP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2OC)C1 ZINC000255771092 285179336 /nfs/dbraw/zinc/17/93/36/285179336.db2.gz LHQLRGGKNVLCDL-SECOEOQKSA-N 2 2 302.462 3.372 10 0 DGAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000120495134 195177203 /nfs/dbraw/zinc/17/72/03/195177203.db2.gz JOEVEEMGVCRCPZ-CQSZACIVSA-N 2 2 323.387 3.486 10 0 DGAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000120686922 195217367 /nfs/dbraw/zinc/21/73/67/195217367.db2.gz ZRKCQXSWMRWCOQ-HXUWFJFHSA-N 2 2 321.468 3.193 10 0 DGAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000356908455 285554519 /nfs/dbraw/zinc/55/45/19/285554519.db2.gz XTTHPAFQSHMIIZ-ZWKOTPCHSA-N 2 2 308.510 3.434 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000616608346 400183439 /nfs/dbraw/zinc/18/34/39/400183439.db2.gz QRGGOCDYYZCFIE-OAHLLOKOSA-N 2 2 305.422 3.129 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000616608346 400183444 /nfs/dbraw/zinc/18/34/44/400183444.db2.gz QRGGOCDYYZCFIE-OAHLLOKOSA-N 2 2 305.422 3.129 10 0 DGAELP C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328648971 400184100 /nfs/dbraw/zinc/18/41/00/400184100.db2.gz UVCSUQRNOCEMRA-GFCCVEGCSA-N 2 2 307.800 3.370 10 0 DGAELP C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328648971 400184102 /nfs/dbraw/zinc/18/41/02/400184102.db2.gz UVCSUQRNOCEMRA-GFCCVEGCSA-N 2 2 307.800 3.370 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000616633657 400189180 /nfs/dbraw/zinc/18/91/80/400189180.db2.gz QWDDYVYZJPGDRI-MRXNPFEDSA-N 2 2 319.449 3.154 10 0 DGAELP CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000616633657 400189185 /nfs/dbraw/zinc/18/91/85/400189185.db2.gz QWDDYVYZJPGDRI-MRXNPFEDSA-N 2 2 319.449 3.154 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc(C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000616619586 400186853 /nfs/dbraw/zinc/18/68/53/400186853.db2.gz OKEQVMQAKKMFCV-UHFFFAOYSA-N 2 2 319.449 3.172 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2cccnc2c1 ZINC000616679122 400200659 /nfs/dbraw/zinc/20/06/59/400200659.db2.gz CSLXGOYNTLTVND-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc2cccnc2c1 ZINC000616679122 400200661 /nfs/dbraw/zinc/20/06/61/400200661.db2.gz CSLXGOYNTLTVND-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc2cnccc2c1 ZINC000616681285 400201824 /nfs/dbraw/zinc/20/18/24/400201824.db2.gz WSWSRWMFOGBFQP-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc2cnccc2c1 ZINC000616681285 400201829 /nfs/dbraw/zinc/20/18/29/400201829.db2.gz WSWSRWMFOGBFQP-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1nccc2ccccc21 ZINC000616692425 400206741 /nfs/dbraw/zinc/20/67/41/400206741.db2.gz RDAALSLXNZRSEX-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1nccc2ccccc21 ZINC000616692425 400206747 /nfs/dbraw/zinc/20/67/47/400206747.db2.gz RDAALSLXNZRSEX-HXUWFJFHSA-N 2 2 303.409 3.141 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000404428541 400295073 /nfs/dbraw/zinc/29/50/73/400295073.db2.gz GFCKRWUEIBKBKE-HOCLYGCPSA-N 2 2 301.459 3.286 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]Cc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000404428541 400295077 /nfs/dbraw/zinc/29/50/77/400295077.db2.gz GFCKRWUEIBKBKE-HOCLYGCPSA-N 2 2 301.459 3.286 10 0 DGAELP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)n1 ZINC000358007813 285942507 /nfs/dbraw/zinc/94/25/07/285942507.db2.gz RWAAHKQACRPBOD-CQSZACIVSA-N 2 2 321.428 3.189 10 0 DGAELP Clc1cc(Cl)cc(NCC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000139195427 400604693 /nfs/dbraw/zinc/60/46/93/400604693.db2.gz RHXNPRUEPKZKOR-HNNXBMFYSA-N 2 2 314.260 3.089 10 0 DGAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000628227038 401553708 /nfs/dbraw/zinc/55/37/08/401553708.db2.gz OKJKBFPWKZVEOH-AWEZNQCLSA-N 2 2 301.434 3.292 10 0 DGAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000628227038 401553709 /nfs/dbraw/zinc/55/37/09/401553709.db2.gz OKJKBFPWKZVEOH-AWEZNQCLSA-N 2 2 301.434 3.292 10 0 DGAELP c1ccc(N2CC[C@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC000623614452 401556552 /nfs/dbraw/zinc/55/65/52/401556552.db2.gz HDOSCAURKGUZOW-PXNSSMCTSA-N 2 2 313.489 3.262 10 0 DGAELP c1ccc(N2CC[C@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC000623614452 401556554 /nfs/dbraw/zinc/55/65/54/401556554.db2.gz HDOSCAURKGUZOW-PXNSSMCTSA-N 2 2 313.489 3.262 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000494841783 292197494 /nfs/dbraw/zinc/19/74/94/292197494.db2.gz HEXXFVYMAGEOPL-LJQANCHMSA-N 2 2 304.478 3.303 10 0 DGAELP COCC(C)(C)C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494841783 292197495 /nfs/dbraw/zinc/19/74/95/292197495.db2.gz HEXXFVYMAGEOPL-LJQANCHMSA-N 2 2 304.478 3.303 10 0 DGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702838 165100368 /nfs/dbraw/zinc/10/03/68/165100368.db2.gz WKDFFPDJSZCOHX-APWZRJJASA-N 2 2 312.461 3.125 10 0 DGAELP C[C@@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702838 165100370 /nfs/dbraw/zinc/10/03/70/165100370.db2.gz WKDFFPDJSZCOHX-APWZRJJASA-N 2 2 312.461 3.125 10 0 DGAELP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000188781937 165137302 /nfs/dbraw/zinc/13/73/02/165137302.db2.gz WFOWSILHEITCJX-GPJFCIFZSA-N 2 2 316.489 3.098 10 0 DGAELP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000188781937 165137304 /nfs/dbraw/zinc/13/73/04/165137304.db2.gz WFOWSILHEITCJX-GPJFCIFZSA-N 2 2 316.489 3.098 10 0 DGAELP C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000191078156 165229872 /nfs/dbraw/zinc/22/98/72/165229872.db2.gz STACRJUOXXLBQZ-BEFAXECRSA-N 2 2 313.445 3.464 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342494 165244300 /nfs/dbraw/zinc/24/43/00/165244300.db2.gz MEGMJUCBCOBXBB-SJORKVTESA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342494 165244305 /nfs/dbraw/zinc/24/43/05/165244305.db2.gz MEGMJUCBCOBXBB-SJORKVTESA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000192951569 165312012 /nfs/dbraw/zinc/31/20/12/165312012.db2.gz GGYWBMNUMSYXPN-OAHLLOKOSA-N 2 2 317.408 3.430 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000192951569 165312015 /nfs/dbraw/zinc/31/20/15/165312015.db2.gz GGYWBMNUMSYXPN-OAHLLOKOSA-N 2 2 317.408 3.430 10 0 DGAELP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000129257861 196033276 /nfs/dbraw/zinc/03/32/76/196033276.db2.gz LRGVUDZGHVBERY-UONOGXRCSA-N 2 2 324.350 3.478 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccs2)C1 ZINC000190477123 432160622 /nfs/dbraw/zinc/16/06/22/432160622.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccs2)C1 ZINC000190477123 432160623 /nfs/dbraw/zinc/16/06/23/432160623.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190477123 432160628 /nfs/dbraw/zinc/16/06/28/432160628.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000190477123 432160629 /nfs/dbraw/zinc/16/06/29/432160629.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP Fc1ccc(OCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646892 432155542 /nfs/dbraw/zinc/15/55/42/432155542.db2.gz IAPSVXLLDVTMKF-HNNXBMFYSA-N 2 2 315.392 3.034 10 0 DGAELP Fc1ccc(OCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171646892 432155545 /nfs/dbraw/zinc/15/55/45/432155545.db2.gz IAPSVXLLDVTMKF-HNNXBMFYSA-N 2 2 315.392 3.034 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCCO2 ZINC000246898287 432178359 /nfs/dbraw/zinc/17/83/59/432178359.db2.gz FCNSGVYVXAWLLI-IIDMSEBBSA-N 2 2 300.446 3.424 10 0 DGAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCCO2 ZINC000246898287 432178363 /nfs/dbraw/zinc/17/83/63/432178363.db2.gz FCNSGVYVXAWLLI-IIDMSEBBSA-N 2 2 300.446 3.424 10 0 DGAELP CCn1nc(C)c([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)c1C ZINC000151035427 432212263 /nfs/dbraw/zinc/21/22/63/432212263.db2.gz FHWPUDMUNDHOGQ-HNNXBMFYSA-N 2 2 314.477 3.302 10 0 DGAELP CCn1nc(C)c([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)c1C ZINC000151035427 432212266 /nfs/dbraw/zinc/21/22/66/432212266.db2.gz FHWPUDMUNDHOGQ-HNNXBMFYSA-N 2 2 314.477 3.302 10 0 DGAELP CCC[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[NH+](C)C ZINC000134356673 196381740 /nfs/dbraw/zinc/38/17/40/196381740.db2.gz BMYJXUMBQXFRJP-MRXNPFEDSA-N 2 2 314.433 3.120 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[N@@H+]1Cc1ccccc1 ZINC000189726274 263725086 /nfs/dbraw/zinc/72/50/86/263725086.db2.gz AVVFBMIHOWGIEW-NXHRZFHOSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C[N@H+]1Cc1ccccc1 ZINC000189726274 263725087 /nfs/dbraw/zinc/72/50/87/263725087.db2.gz AVVFBMIHOWGIEW-NXHRZFHOSA-N 2 2 302.462 3.197 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277914 264189163 /nfs/dbraw/zinc/18/91/63/264189163.db2.gz CUAZTXMRPFTTEC-AWEZNQCLSA-N 2 2 321.428 3.085 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277914 264189166 /nfs/dbraw/zinc/18/91/66/264189166.db2.gz CUAZTXMRPFTTEC-AWEZNQCLSA-N 2 2 321.428 3.085 10 0 DGAELP C[C@@H]1CCCC[C@H]1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057668 432254621 /nfs/dbraw/zinc/25/46/21/432254621.db2.gz AMJHQJUPGKEIAS-MSOLQXFVSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@@H]1CCCC[C@H]1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000183057668 432254624 /nfs/dbraw/zinc/25/46/24/432254624.db2.gz AMJHQJUPGKEIAS-MSOLQXFVSA-N 2 2 318.509 3.106 10 0 DGAELP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330145040 275045238 /nfs/dbraw/zinc/04/52/38/275045238.db2.gz ZZGAQERJYVQFCX-FUHWJXTLSA-N 2 2 323.396 3.138 10 0 DGAELP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330145040 275045240 /nfs/dbraw/zinc/04/52/40/275045240.db2.gz ZZGAQERJYVQFCX-FUHWJXTLSA-N 2 2 323.396 3.138 10 0 DGAELP Fc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000078969151 431714039 /nfs/dbraw/zinc/71/40/39/431714039.db2.gz PXNIHBUNCJRBPT-UHFFFAOYSA-N 2 2 303.356 3.118 10 0 DGAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000122981961 431850826 /nfs/dbraw/zinc/85/08/26/431850826.db2.gz NIKHCQNVTIJGKT-QAPCUYQASA-N 2 2 315.486 3.186 10 0 DGAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000122981961 431850828 /nfs/dbraw/zinc/85/08/28/431850828.db2.gz NIKHCQNVTIJGKT-QAPCUYQASA-N 2 2 315.486 3.186 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123099993 431854883 /nfs/dbraw/zinc/85/48/83/431854883.db2.gz ZFXYTRUVXBFDNC-GXTWGEPZSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@H+]1C ZINC000123099993 431854885 /nfs/dbraw/zinc/85/48/85/431854885.db2.gz ZFXYTRUVXBFDNC-GXTWGEPZSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123099993 431854887 /nfs/dbraw/zinc/85/48/87/431854887.db2.gz ZFXYTRUVXBFDNC-GXTWGEPZSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123099993 431854888 /nfs/dbraw/zinc/85/48/88/431854888.db2.gz ZFXYTRUVXBFDNC-GXTWGEPZSA-N 2 2 320.868 3.141 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123534440 431867033 /nfs/dbraw/zinc/86/70/33/431867033.db2.gz PTEIOGDGDBBXAX-KGLIPLIRSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123534440 431867036 /nfs/dbraw/zinc/86/70/36/431867036.db2.gz PTEIOGDGDBBXAX-KGLIPLIRSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123534440 431867038 /nfs/dbraw/zinc/86/70/38/431867038.db2.gz PTEIOGDGDBBXAX-KGLIPLIRSA-N 2 2 318.440 3.110 10 0 DGAELP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123534440 431867041 /nfs/dbraw/zinc/86/70/41/431867041.db2.gz PTEIOGDGDBBXAX-KGLIPLIRSA-N 2 2 318.440 3.110 10 0 DGAELP CC[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000122358670 431829612 /nfs/dbraw/zinc/82/96/12/431829612.db2.gz VUMLQGKFBCNGCM-FZMZJTMJSA-N 2 2 315.230 3.147 10 0 DGAELP CC[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000122358670 431829614 /nfs/dbraw/zinc/82/96/14/431829614.db2.gz VUMLQGKFBCNGCM-FZMZJTMJSA-N 2 2 315.230 3.147 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123862038 431877279 /nfs/dbraw/zinc/87/72/79/431877279.db2.gz DPUPMNHHJTXWJX-QWRGUYRKSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)s2)CC[N@H+]1C ZINC000123862038 431877280 /nfs/dbraw/zinc/87/72/80/431877280.db2.gz DPUPMNHHJTXWJX-QWRGUYRKSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123862038 431877281 /nfs/dbraw/zinc/87/72/81/431877281.db2.gz DPUPMNHHJTXWJX-QWRGUYRKSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123862038 431877284 /nfs/dbraw/zinc/87/72/84/431877284.db2.gz DPUPMNHHJTXWJX-QWRGUYRKSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@@H+]1C ZINC000123995083 431880101 /nfs/dbraw/zinc/88/01/01/431880101.db2.gz YCAMOOADMDRDDW-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2coc(-c3cccc(F)c3)n2)CC[N@H+]1C ZINC000123995083 431880102 /nfs/dbraw/zinc/88/01/02/431880102.db2.gz YCAMOOADMDRDDW-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995083 431880103 /nfs/dbraw/zinc/88/01/03/431880103.db2.gz YCAMOOADMDRDDW-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2coc(-c3cccc(F)c3)n2)CC[NH+]1C ZINC000123995083 431880105 /nfs/dbraw/zinc/88/01/05/431880105.db2.gz YCAMOOADMDRDDW-CXAGYDPISA-N 2 2 317.408 3.395 10 0 DGAELP [NH3+][C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000097163512 431964472 /nfs/dbraw/zinc/96/44/72/431964472.db2.gz LVRFBBPCNSGUFR-RBUKOAKNSA-N 2 2 321.399 3.301 10 0 DGAELP [NH3+][C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000097163512 431964473 /nfs/dbraw/zinc/96/44/73/431964473.db2.gz LVRFBBPCNSGUFR-RBUKOAKNSA-N 2 2 321.399 3.301 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000248183233 432274232 /nfs/dbraw/zinc/27/42/32/432274232.db2.gz WVIKURNPRVLDNO-IJEWVQPXSA-N 2 2 316.474 3.099 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000248183233 432274236 /nfs/dbraw/zinc/27/42/36/432274236.db2.gz WVIKURNPRVLDNO-IJEWVQPXSA-N 2 2 316.474 3.099 10 0 DGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173380061 432276212 /nfs/dbraw/zinc/27/62/12/432276212.db2.gz DLPATZYHEVAJMG-GDBMZVCRSA-N 2 2 308.491 3.170 10 0 DGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173380061 432276215 /nfs/dbraw/zinc/27/62/15/432276215.db2.gz DLPATZYHEVAJMG-GDBMZVCRSA-N 2 2 308.491 3.170 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000249092621 432337802 /nfs/dbraw/zinc/33/78/02/432337802.db2.gz KYATWUGCVSIJLH-BHIYHBOVSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000249092621 432337807 /nfs/dbraw/zinc/33/78/07/432337807.db2.gz KYATWUGCVSIJLH-BHIYHBOVSA-N 2 2 302.462 3.056 10 0 DGAELP CCC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115354 432339747 /nfs/dbraw/zinc/33/97/47/432339747.db2.gz WGTJZNZPYCMJDF-WMZOPIPTSA-N 2 2 302.462 3.341 10 0 DGAELP CCC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115354 432339750 /nfs/dbraw/zinc/33/97/50/432339750.db2.gz WGTJZNZPYCMJDF-WMZOPIPTSA-N 2 2 302.462 3.341 10 0 DGAELP CCC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115354 432339753 /nfs/dbraw/zinc/33/97/53/432339753.db2.gz WGTJZNZPYCMJDF-WMZOPIPTSA-N 2 2 302.462 3.341 10 0 DGAELP CCC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249115354 432339756 /nfs/dbraw/zinc/33/97/56/432339756.db2.gz WGTJZNZPYCMJDF-WMZOPIPTSA-N 2 2 302.462 3.341 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000248730115 432315116 /nfs/dbraw/zinc/31/51/16/432315116.db2.gz MLEPLVDIVRPDRR-ONGXEEELSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000248730115 432315121 /nfs/dbraw/zinc/31/51/21/432315121.db2.gz MLEPLVDIVRPDRR-ONGXEEELSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000248730115 432315123 /nfs/dbraw/zinc/31/51/23/432315123.db2.gz MLEPLVDIVRPDRR-ONGXEEELSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000248730115 432315129 /nfs/dbraw/zinc/31/51/29/432315129.db2.gz MLEPLVDIVRPDRR-ONGXEEELSA-N 2 2 321.412 3.385 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccnn1C ZINC000192936255 432430619 /nfs/dbraw/zinc/43/06/19/432430619.db2.gz GWOGGHMJUAIGDB-RYRKJORJSA-N 2 2 312.461 3.124 10 0 DGAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccnn1C ZINC000192936255 432430624 /nfs/dbraw/zinc/43/06/24/432430624.db2.gz GWOGGHMJUAIGDB-RYRKJORJSA-N 2 2 312.461 3.124 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000261755465 432447634 /nfs/dbraw/zinc/44/76/34/432447634.db2.gz MIOZTPCKKFIDEF-UHFFFAOYSA-N 2 2 323.415 3.377 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000261755465 432447638 /nfs/dbraw/zinc/44/76/38/432447638.db2.gz MIOZTPCKKFIDEF-UHFFFAOYSA-N 2 2 323.415 3.377 10 0 DGAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccccc1OC(F)F ZINC000261757714 432449461 /nfs/dbraw/zinc/44/94/61/432449461.db2.gz MNWSNNLTQPEAHT-UHFFFAOYSA-N 2 2 320.383 3.291 10 0 DGAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccccc1OC(F)F ZINC000261757714 432449465 /nfs/dbraw/zinc/44/94/65/432449465.db2.gz MNWSNNLTQPEAHT-UHFFFAOYSA-N 2 2 320.383 3.291 10 0 DGAELP C[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000175258893 432416967 /nfs/dbraw/zinc/41/69/67/432416967.db2.gz HMWYALBVRJRKGO-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000175258893 432416969 /nfs/dbraw/zinc/41/69/69/432416969.db2.gz HMWYALBVRJRKGO-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000175258893 432416970 /nfs/dbraw/zinc/41/69/70/432416970.db2.gz HMWYALBVRJRKGO-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[NH+](Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258893 432416972 /nfs/dbraw/zinc/41/69/72/432416972.db2.gz HMWYALBVRJRKGO-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688399 432650553 /nfs/dbraw/zinc/65/05/53/432650553.db2.gz YXCBOSXQZCBZFU-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688399 432650556 /nfs/dbraw/zinc/65/05/56/432650556.db2.gz YXCBOSXQZCBZFU-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688399 432650558 /nfs/dbraw/zinc/65/05/58/432650558.db2.gz YXCBOSXQZCBZFU-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC[NH+]1C ZINC000177688399 432650562 /nfs/dbraw/zinc/65/05/62/432650562.db2.gz YXCBOSXQZCBZFU-CZUORRHYSA-N 2 2 317.408 3.395 10 0 DGAELP Cc1ccc([C@@H](CNc2cc[nH+]c(C)c2)[NH+]2CCOCC2)s1 ZINC000274325085 432653179 /nfs/dbraw/zinc/65/31/79/432653179.db2.gz DOAASNUYEQNNPO-MRXNPFEDSA-N 2 2 317.458 3.245 10 0 DGAELP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)cc1 ZINC000178564055 432752983 /nfs/dbraw/zinc/75/29/83/432752983.db2.gz GUZODGINUBXFAS-AEFFLSMTSA-N 2 2 320.477 3.237 10 0 DGAELP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)cc1 ZINC000178564055 432752986 /nfs/dbraw/zinc/75/29/86/432752986.db2.gz GUZODGINUBXFAS-AEFFLSMTSA-N 2 2 320.477 3.237 10 0 DGAELP CCCn1c2ccccc2nc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245765144 432862183 /nfs/dbraw/zinc/86/21/83/432862183.db2.gz QPHJIVNKGODWCW-JKSUJKDBSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245765144 432862185 /nfs/dbraw/zinc/86/21/85/432862185.db2.gz QPHJIVNKGODWCW-JKSUJKDBSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245765144 432862187 /nfs/dbraw/zinc/86/21/87/432862187.db2.gz QPHJIVNKGODWCW-JKSUJKDBSA-N 2 2 314.477 3.361 10 0 DGAELP CCCn1c2ccccc2nc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245765144 432862188 /nfs/dbraw/zinc/86/21/88/432862188.db2.gz QPHJIVNKGODWCW-JKSUJKDBSA-N 2 2 314.477 3.361 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774607 432862432 /nfs/dbraw/zinc/86/24/32/432862432.db2.gz SLCWTSABVQNVKF-XHDPSFHLSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774607 432862433 /nfs/dbraw/zinc/86/24/33/432862433.db2.gz SLCWTSABVQNVKF-XHDPSFHLSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774607 432862435 /nfs/dbraw/zinc/86/24/35/432862435.db2.gz SLCWTSABVQNVKF-XHDPSFHLSA-N 2 2 300.368 3.266 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000245774607 432862436 /nfs/dbraw/zinc/86/24/36/432862436.db2.gz SLCWTSABVQNVKF-XHDPSFHLSA-N 2 2 300.368 3.266 10 0 DGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782709 432863332 /nfs/dbraw/zinc/86/33/32/432863332.db2.gz UOAKFGXKTCORNF-KXBFYZLASA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782709 432863335 /nfs/dbraw/zinc/86/33/35/432863335.db2.gz UOAKFGXKTCORNF-KXBFYZLASA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782709 432863337 /nfs/dbraw/zinc/86/33/37/432863337.db2.gz UOAKFGXKTCORNF-KXBFYZLASA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)[C@@H](C)C1 ZINC000245782709 432863339 /nfs/dbraw/zinc/86/33/39/432863339.db2.gz UOAKFGXKTCORNF-KXBFYZLASA-N 2 2 312.461 3.239 10 0 DGAELP CC1(C)[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)[C@@H]2CCCO[C@H]21 ZINC000245853241 432865255 /nfs/dbraw/zinc/86/52/55/432865255.db2.gz GQERNUMODHIOHB-CGTJXYLNSA-N 2 2 311.429 3.166 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072124 432842096 /nfs/dbraw/zinc/84/20/96/432842096.db2.gz CXKRCYVRMSBNNZ-QGZVFWFLSA-N 3 2 315.465 3.068 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072124 432842099 /nfs/dbraw/zinc/84/20/99/432842099.db2.gz CXKRCYVRMSBNNZ-QGZVFWFLSA-N 3 2 315.465 3.068 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163405819 432852546 /nfs/dbraw/zinc/85/25/46/432852546.db2.gz BFTXYZOZJXBYLM-AEFFLSMTSA-N 2 2 320.477 3.235 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000163405819 432852549 /nfs/dbraw/zinc/85/25/49/432852549.db2.gz BFTXYZOZJXBYLM-AEFFLSMTSA-N 2 2 320.477 3.235 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245693634 432856378 /nfs/dbraw/zinc/85/63/78/432856378.db2.gz UZVVVHRNRHBSRD-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245693634 432856381 /nfs/dbraw/zinc/85/63/81/432856381.db2.gz UZVVVHRNRHBSRD-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245693634 432856383 /nfs/dbraw/zinc/85/63/83/432856383.db2.gz UZVVVHRNRHBSRD-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245693634 432856386 /nfs/dbraw/zinc/85/63/86/432856386.db2.gz UZVVVHRNRHBSRD-UONOGXRCSA-N 2 2 323.868 3.001 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715035 432857396 /nfs/dbraw/zinc/85/73/96/432857396.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715035 432857398 /nfs/dbraw/zinc/85/73/98/432857398.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715035 432857400 /nfs/dbraw/zinc/85/74/00/432857400.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccccc3)[nH]2)[C@@H](C)C1 ZINC000245715035 432857403 /nfs/dbraw/zinc/85/74/03/432857403.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715035 432857404 /nfs/dbraw/zinc/85/74/04/432857404.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715035 432857407 /nfs/dbraw/zinc/85/74/07/432857407.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715035 432857410 /nfs/dbraw/zinc/85/74/10/432857410.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245715035 432857413 /nfs/dbraw/zinc/85/74/13/432857413.db2.gz GSVWPSCOQUIMJC-MAUKXSAKSA-N 2 2 312.461 3.239 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000341472943 433079348 /nfs/dbraw/zinc/07/93/48/433079348.db2.gz AXWLSKOTBURNBW-VBYALHQYSA-N 2 2 316.489 3.443 10 0 DGAELP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000341472943 433079355 /nfs/dbraw/zinc/07/93/55/433079355.db2.gz AXWLSKOTBURNBW-VBYALHQYSA-N 2 2 316.489 3.443 10 0 DGAELP C=Cn1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cn1 ZINC000290576022 433102500 /nfs/dbraw/zinc/10/25/00/433102500.db2.gz UEVXQERKYKAZLH-OALUTQOASA-N 2 2 319.412 3.199 10 0 DGAELP COCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000336658733 433175400 /nfs/dbraw/zinc/17/54/00/433175400.db2.gz SGFRSNGTNRLZIR-GOSISDBHSA-N 2 2 302.462 3.057 10 0 DGAELP COCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000336658733 433175406 /nfs/dbraw/zinc/17/54/06/433175406.db2.gz SGFRSNGTNRLZIR-GOSISDBHSA-N 2 2 302.462 3.057 10 0 DGAELP c1ccc(N2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)[nH+]c1 ZINC000421386699 433532488 /nfs/dbraw/zinc/53/24/88/433532488.db2.gz RNMFPKZGAHBNEZ-HNNXBMFYSA-N 2 2 317.502 3.173 10 0 DGAELP c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282767861 433626145 /nfs/dbraw/zinc/62/61/45/433626145.db2.gz PIFSFOIFRKNZHY-CYBMUJFWSA-N 2 2 302.447 3.056 10 0 DGAELP c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000282767861 433626153 /nfs/dbraw/zinc/62/61/53/433626153.db2.gz PIFSFOIFRKNZHY-CYBMUJFWSA-N 2 2 302.447 3.056 10 0 DGAELP c1nn(Cc2ccccc2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370118626 293156082 /nfs/dbraw/zinc/15/60/82/293156082.db2.gz BKOCGZWJGVNHQT-UHFFFAOYSA-N 2 2 324.472 3.038 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)cc2)c[nH+]1 ZINC000370719387 293185938 /nfs/dbraw/zinc/18/59/38/293185938.db2.gz KXCZCEUYFZYUIN-LJQANCHMSA-N 2 2 318.424 3.332 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CC[C@H](Cc4ccncc4)C3)cc2)c[nH+]1 ZINC000370719387 293185940 /nfs/dbraw/zinc/18/59/40/293185940.db2.gz KXCZCEUYFZYUIN-LJQANCHMSA-N 2 2 318.424 3.332 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCOC[C@@H]3CC3CCC3)cc2)c[nH+]1 ZINC000339769601 433768587 /nfs/dbraw/zinc/76/85/87/433768587.db2.gz PFYQAPKRLZZYQX-IBGZPJMESA-N 2 2 311.429 3.263 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)cc2)c[nH+]1 ZINC000339769601 433768596 /nfs/dbraw/zinc/76/85/96/433768596.db2.gz PFYQAPKRLZZYQX-IBGZPJMESA-N 2 2 311.429 3.263 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cccc(-c3ccccn3)c1)C2 ZINC000377781285 433996597 /nfs/dbraw/zinc/99/65/97/433996597.db2.gz OZQVKPLLPQFFHS-MRXNPFEDSA-N 2 2 304.397 3.119 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CC2 ZINC000377781285 433996603 /nfs/dbraw/zinc/99/66/03/433996603.db2.gz OZQVKPLLPQFFHS-MRXNPFEDSA-N 2 2 304.397 3.119 10 0 DGAELP c1csc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084186 434159418 /nfs/dbraw/zinc/15/94/18/434159418.db2.gz KVRYVZJCRBGTGE-ZFWWWQNUSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)no2)c1 ZINC000315084186 434159428 /nfs/dbraw/zinc/15/94/28/434159428.db2.gz KVRYVZJCRBGTGE-ZFWWWQNUSA-N 2 2 317.458 3.367 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCOC4(CCCCC4)C3)c2)c[nH+]1 ZINC000346230556 434218581 /nfs/dbraw/zinc/21/85/81/434218581.db2.gz WUMJNBAAEVUZSB-UHFFFAOYSA-N 2 2 317.458 3.469 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCOC4(CCCCC4)C3)c2)c[nH+]1 ZINC000346230556 434218590 /nfs/dbraw/zinc/21/85/90/434218590.db2.gz WUMJNBAAEVUZSB-UHFFFAOYSA-N 2 2 317.458 3.469 10 0 DGAELP C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000379198406 434255501 /nfs/dbraw/zinc/25/55/01/434255501.db2.gz XLWNHKSPVQFTTF-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000379198406 434255506 /nfs/dbraw/zinc/25/55/06/434255506.db2.gz XLWNHKSPVQFTTF-WDSOQIARSA-N 2 2 302.462 3.198 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379647910 434258340 /nfs/dbraw/zinc/25/83/40/434258340.db2.gz LHLKWDVJFOUHBG-WMZOPIPTSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379647910 434258350 /nfs/dbraw/zinc/25/83/50/434258350.db2.gz LHLKWDVJFOUHBG-WMZOPIPTSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379647909 434259017 /nfs/dbraw/zinc/25/90/17/434259017.db2.gz LHLKWDVJFOUHBG-SJLPKXTDSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379647909 434259027 /nfs/dbraw/zinc/25/90/27/434259027.db2.gz LHLKWDVJFOUHBG-SJLPKXTDSA-N 2 2 304.478 3.444 10 0 DGAELP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3ccsc3)CC2)c[nH+]1 ZINC000328648086 434292990 /nfs/dbraw/zinc/29/29/90/434292990.db2.gz UKPKSCBQQPCWES-CQSZACIVSA-N 2 2 302.447 3.192 10 0 DGAELP Nc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccsc3)CC2)c[nH+]1 ZINC000328648086 434292996 /nfs/dbraw/zinc/29/29/96/434292996.db2.gz UKPKSCBQQPCWES-CQSZACIVSA-N 2 2 302.447 3.192 10 0 DGAELP C[N@@H+](Cc1ccsc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328652251 434296078 /nfs/dbraw/zinc/29/60/78/434296078.db2.gz WGOIMIFSOUUHPO-IRXDYDNUSA-N 2 2 301.459 3.268 10 0 DGAELP C[N@H+](Cc1ccsc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328652251 434296092 /nfs/dbraw/zinc/29/60/92/434296092.db2.gz WGOIMIFSOUUHPO-IRXDYDNUSA-N 2 2 301.459 3.268 10 0 DGAELP C[NH+](Cc1ccsc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328652251 434296103 /nfs/dbraw/zinc/29/61/03/434296103.db2.gz WGOIMIFSOUUHPO-IRXDYDNUSA-N 2 2 301.459 3.268 10 0 DGAELP C[NH+](Cc1ccsc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328652251 434296115 /nfs/dbraw/zinc/29/61/15/434296115.db2.gz WGOIMIFSOUUHPO-IRXDYDNUSA-N 2 2 301.459 3.268 10 0 DGAELP c1c2c(cc3c1OCCC[C@H]3[NH2+]C[C@@H]1CCC[NH2+]1)CCCC2 ZINC000423241727 434311441 /nfs/dbraw/zinc/31/14/41/434311441.db2.gz VIHLFTRSZUPPER-FUHWJXTLSA-N 2 2 300.446 3.121 10 0 DGAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295465189 434376538 /nfs/dbraw/zinc/37/65/38/434376538.db2.gz RCLKYMYBGJRTHQ-WMZOPIPTSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295465189 434376544 /nfs/dbraw/zinc/37/65/44/434376544.db2.gz RCLKYMYBGJRTHQ-WMZOPIPTSA-N 2 2 302.462 3.198 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000389236173 434344288 /nfs/dbraw/zinc/34/42/88/434344288.db2.gz JTOHXJXKSGDQHM-HIFRSBDPSA-N 2 2 309.251 3.120 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000389236173 434344296 /nfs/dbraw/zinc/34/42/96/434344296.db2.gz JTOHXJXKSGDQHM-HIFRSBDPSA-N 2 2 309.251 3.120 10 0 DGAELP C[C@]1(C[NH2+]C[C@H]2CCSC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397873141 434446131 /nfs/dbraw/zinc/44/61/31/434446131.db2.gz IYQXKUNCLCSEHG-QZTJIDSGSA-N 2 2 304.503 3.384 10 0 DGAELP C[C@]1(C[NH2+]C[C@H]2CCSC2)CCC[N@H+]1Cc1ccccc1 ZINC000397873141 434446136 /nfs/dbraw/zinc/44/61/36/434446136.db2.gz IYQXKUNCLCSEHG-QZTJIDSGSA-N 2 2 304.503 3.384 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000393910640 434398017 /nfs/dbraw/zinc/39/80/17/434398017.db2.gz BKBLWIQBYWDXGK-UKBAYJJMSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000393910640 434398025 /nfs/dbraw/zinc/39/80/25/434398025.db2.gz BKBLWIQBYWDXGK-UKBAYJJMSA-N 2 2 302.462 3.197 10 0 DGAELP C[NH2+]Cc1ccccc1CNc1[nH+]ccc(C)c1Br ZINC000404519588 434516874 /nfs/dbraw/zinc/51/68/74/434516874.db2.gz LYWKOBUXEONPHI-UHFFFAOYSA-N 2 2 320.234 3.484 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527805880 295134162 /nfs/dbraw/zinc/13/41/62/295134162.db2.gz IUFFOZPKIQRWBN-OAHLLOKOSA-N 2 2 316.474 3.245 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527805880 295134163 /nfs/dbraw/zinc/13/41/63/295134163.db2.gz IUFFOZPKIQRWBN-OAHLLOKOSA-N 2 2 316.474 3.245 10 0 DGAELP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459659460 434651388 /nfs/dbraw/zinc/65/13/88/434651388.db2.gz KCBOPTJBKMKWIM-UKTHLTGXSA-N 2 2 321.371 3.257 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC34CCC(CC3)CC4)c12 ZINC000560896684 435194274 /nfs/dbraw/zinc/19/42/74/435194274.db2.gz VQAKJIJFDPVTCL-UHFFFAOYSA-N 2 2 320.400 3.345 10 0 DGAELP CC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000532450283 435166579 /nfs/dbraw/zinc/16/65/79/435166579.db2.gz MWVMEKMJRUFLBK-LJQANCHMSA-N 2 2 313.445 3.226 10 0 DGAELP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214240 313340904 /nfs/dbraw/zinc/34/09/04/313340904.db2.gz COLMNNJWBHSNDW-LSDHHAIUSA-N 2 2 321.262 3.311 10 0 DGAELP Clc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2c1OCO2 ZINC000530711848 313398983 /nfs/dbraw/zinc/39/89/83/313398983.db2.gz JAZAZQQRXNJVDO-UHFFFAOYSA-N 2 2 319.792 3.171 10 0 DGAELP c1csc(-c2n[nH]cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000535821768 313736697 /nfs/dbraw/zinc/73/66/97/313736697.db2.gz PASMQBBHHHNYBA-UHFFFAOYSA-N 2 2 313.430 3.241 10 0 DGAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414968 324350657 /nfs/dbraw/zinc/35/06/57/324350657.db2.gz KTRAKWHWOPWKAP-QFBILLFUSA-N 2 2 302.462 3.228 10 0 DGAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000583414968 324350662 /nfs/dbraw/zinc/35/06/62/324350662.db2.gz KTRAKWHWOPWKAP-QFBILLFUSA-N 2 2 302.462 3.228 10 0 DGAELP Cc1ccc2[nH+]ccc(N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000302135826 534520998 /nfs/dbraw/zinc/52/09/98/534520998.db2.gz AYAGNFFXJIKKDW-UHFFFAOYSA-N 2 2 304.397 3.265 10 0 DGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccc(F)cc1F ZINC000163381252 522864341 /nfs/dbraw/zinc/86/43/41/522864341.db2.gz LXZMBHSZXOYUFN-RHSMWYFYSA-N 2 2 312.404 3.116 10 0 DGAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccc(F)cc1F ZINC000163381252 522864348 /nfs/dbraw/zinc/86/43/48/522864348.db2.gz LXZMBHSZXOYUFN-RHSMWYFYSA-N 2 2 312.404 3.116 10 0 DGAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000328657063 534815435 /nfs/dbraw/zinc/81/54/35/534815435.db2.gz ZYMOJRIMEPIOIB-KBXCAEBGSA-N 2 2 311.385 3.176 10 0 DGAELP CCSCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000132300686 529195345 /nfs/dbraw/zinc/19/53/45/529195345.db2.gz GKWWJPPEASVXGM-WMZOPIPTSA-N 2 2 306.519 3.425 10 0 DGAELP CCSCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000132300686 529195346 /nfs/dbraw/zinc/19/53/46/529195346.db2.gz GKWWJPPEASVXGM-WMZOPIPTSA-N 2 2 306.519 3.425 10 0 DGAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152970857 546006527 /nfs/dbraw/zinc/00/65/27/546006527.db2.gz MXIMREYJUVOPKY-DNVCBOLYSA-N 2 2 312.461 3.423 10 0 DGAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152970857 546006532 /nfs/dbraw/zinc/00/65/32/546006532.db2.gz MXIMREYJUVOPKY-DNVCBOLYSA-N 2 2 312.461 3.423 10 0 DGAELP Brc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250084973 546328194 /nfs/dbraw/zinc/32/81/94/546328194.db2.gz NXSHHFUTMAZNLR-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250084973 546328198 /nfs/dbraw/zinc/32/81/98/546328198.db2.gz NXSHHFUTMAZNLR-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413824 546330806 /nfs/dbraw/zinc/33/08/06/546330806.db2.gz FYSGEGGJUPKGDQ-CZUORRHYSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413824 546330809 /nfs/dbraw/zinc/33/08/09/546330809.db2.gz FYSGEGGJUPKGDQ-CZUORRHYSA-N 2 2 308.853 3.313 10 0 DGAELP OC[C@@]1([NH2+]C2CCCCCC2)CCC[N@H+](Cc2ccccc2)C1 ZINC000302908192 546439322 /nfs/dbraw/zinc/43/93/22/546439322.db2.gz CRIFFFTVJDACLK-HXUWFJFHSA-N 2 2 316.489 3.326 10 0 DGAELP OC[C@@]1([NH2+]C2CCCCCC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000302908192 546439329 /nfs/dbraw/zinc/43/93/29/546439329.db2.gz CRIFFFTVJDACLK-HXUWFJFHSA-N 2 2 316.489 3.326 10 0 DGAELP c1cn(C2CC2)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000711744605 660962423 /nfs/dbraw/zinc/96/24/23/660962423.db2.gz DOVPGPQJABDQTQ-GOSISDBHSA-N 2 2 324.472 3.220 10 0 DGAELP c1cn(C2CC2)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000711744605 660962426 /nfs/dbraw/zinc/96/24/26/660962426.db2.gz DOVPGPQJABDQTQ-GOSISDBHSA-N 2 2 324.472 3.220 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000262127847 655785516 /nfs/dbraw/zinc/78/55/16/655785516.db2.gz NFPHCWXWUBMGCG-SNVBAGLBSA-N 2 2 307.385 3.044 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)s1 ZINC000262127847 655785517 /nfs/dbraw/zinc/78/55/17/655785517.db2.gz NFPHCWXWUBMGCG-SNVBAGLBSA-N 2 2 307.385 3.044 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363693 661285022 /nfs/dbraw/zinc/28/50/22/661285022.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 2 2 311.813 3.163 10 0 DGAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000187363693 661285025 /nfs/dbraw/zinc/28/50/25/661285025.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 2 2 311.813 3.163 10 0 DGAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363693 661285026 /nfs/dbraw/zinc/28/50/26/661285026.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 2 2 311.813 3.163 10 0 DGAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363693 661285028 /nfs/dbraw/zinc/28/50/28/661285028.db2.gz NMWMEXQCMLHMHH-DGCLKSJQSA-N 2 2 311.813 3.163 10 0 DGAELP Cc1cc(Cl)ccc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878817 658156063 /nfs/dbraw/zinc/15/60/63/658156063.db2.gz UOVJVOWWAFOWKE-WCQYABFASA-N 2 2 306.759 3.217 10 0 DGAELP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720878817 658156066 /nfs/dbraw/zinc/15/60/66/658156066.db2.gz UOVJVOWWAFOWKE-WCQYABFASA-N 2 2 306.759 3.217 10 0 DGAELP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(Br)c1F ZINC000395009662 1176755816 /nfs/dbraw/zinc/75/58/16/1176755816.db2.gz KDUDRAYILXGUBP-UHFFFAOYSA-N 2 2 317.246 3.408 10 0 DGAELP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(Br)c1F ZINC000395009662 1176755823 /nfs/dbraw/zinc/75/58/23/1176755823.db2.gz KDUDRAYILXGUBP-UHFFFAOYSA-N 2 2 317.246 3.408 10 0 DGAELP Cc1ccc(O)c(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000379656778 1176804758 /nfs/dbraw/zinc/80/47/58/1176804758.db2.gz QMLNGVTZMXGPKB-INIZCTEOSA-N 2 2 313.445 3.096 10 0 DGAELP Cc1ccc(O)c(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000379656778 1176804770 /nfs/dbraw/zinc/80/47/70/1176804770.db2.gz QMLNGVTZMXGPKB-INIZCTEOSA-N 2 2 313.445 3.096 10 0 DGAELP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000168610610 1177413184 /nfs/dbraw/zinc/41/31/84/1177413184.db2.gz DBVLYSSVSQIYHB-HIFPTAJRSA-N 2 2 311.267 3.235 10 0 DGAELP Cc1ncccc1C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000328631385 231265836 /nfs/dbraw/zinc/26/58/36/231265836.db2.gz KMHYBRXZTCWUFB-HXUWFJFHSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1ncccc1C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000328631385 231265839 /nfs/dbraw/zinc/26/58/39/231265839.db2.gz KMHYBRXZTCWUFB-HXUWFJFHSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1ncccc1C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000328631385 231265842 /nfs/dbraw/zinc/26/58/42/231265842.db2.gz KMHYBRXZTCWUFB-HXUWFJFHSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1ncccc1C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000328631385 231265844 /nfs/dbraw/zinc/26/58/44/231265844.db2.gz KMHYBRXZTCWUFB-HXUWFJFHSA-N 2 2 324.472 3.272 10 0 DGAELP Cc1[nH+]c(-c2ccc(F)cc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000070456344 190896282 /nfs/dbraw/zinc/89/62/82/190896282.db2.gz TYHVDBNBWFLTHH-AWEZNQCLSA-N 2 2 314.408 3.311 10 0 DGAELP C[C@@H]1CCC[C@@H](C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133391278 432063276 /nfs/dbraw/zinc/06/32/76/432063276.db2.gz BROHPXFTOSNTND-QZTJIDSGSA-N 2 2 318.509 3.106 10 0 DGAELP C[C@@H]1CCC[C@@H](C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000133391278 432063279 /nfs/dbraw/zinc/06/32/79/432063279.db2.gz BROHPXFTOSNTND-QZTJIDSGSA-N 2 2 318.509 3.106 10 0 DGAELP c1cc(N2CCC(CNc3cc[nH+]c(C4CC4)n3)CC2)cc[nH+]1 ZINC000180042201 199111047 /nfs/dbraw/zinc/11/10/47/199111047.db2.gz STSBNOISRRHDFW-UHFFFAOYSA-N 2 2 309.417 3.078 10 0 DGAELP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C[C@@H]1CCC[NH2+]1)CCCC2 ZINC000423241729 237834808 /nfs/dbraw/zinc/83/48/08/237834808.db2.gz VIHLFTRSZUPPER-WMZOPIPTSA-N 2 2 300.446 3.121 10 0 DGAELP Cc1[nH+]c2c(n1[C@H]1CCN(c3cc[nH+]c(C4CC4)n3)C1)CCCC2 ZINC000275505297 212380052 /nfs/dbraw/zinc/38/00/52/212380052.db2.gz WXXYWKFLLVHINT-HNNXBMFYSA-N 2 2 323.444 3.189 10 0 DGAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247075 432111818 /nfs/dbraw/zinc/11/18/18/432111818.db2.gz OXOWHBCLQBDKHE-HYVNUMGLSA-N 2 2 318.461 3.227 10 0 DGAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247075 432111820 /nfs/dbraw/zinc/11/18/20/432111820.db2.gz OXOWHBCLQBDKHE-HYVNUMGLSA-N 2 2 318.461 3.227 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093644331 193280483 /nfs/dbraw/zinc/28/04/83/193280483.db2.gz LOPNLKGKDNANEJ-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093644331 193280485 /nfs/dbraw/zinc/28/04/85/193280485.db2.gz LOPNLKGKDNANEJ-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644331 193280487 /nfs/dbraw/zinc/28/04/87/193280487.db2.gz LOPNLKGKDNANEJ-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP Cc1cccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093644331 193280489 /nfs/dbraw/zinc/28/04/89/193280489.db2.gz LOPNLKGKDNANEJ-CRAIPNDOSA-N 2 2 312.461 3.300 10 0 DGAELP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000093683910 193288146 /nfs/dbraw/zinc/28/81/46/193288146.db2.gz WIGLJVSRRHFBHW-QGZVFWFLSA-N 2 2 324.472 3.385 10 0 DGAELP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[nH]nc1-c1ccccc1 ZINC000093683910 193288148 /nfs/dbraw/zinc/28/81/48/193288148.db2.gz WIGLJVSRRHFBHW-QGZVFWFLSA-N 2 2 324.472 3.385 10 0 DGAELP C[N@H+](Cc1csc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747199 183128542 /nfs/dbraw/zinc/12/85/42/183128542.db2.gz YSNXUVLWOJOKCT-FOSCPWQOSA-N 2 2 315.280 3.225 10 0 DGAELP C[N@@H+](Cc1csc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747199 183128543 /nfs/dbraw/zinc/12/85/43/183128543.db2.gz YSNXUVLWOJOKCT-FOSCPWQOSA-N 2 2 315.280 3.225 10 0 DGAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042579248 183287085 /nfs/dbraw/zinc/28/70/85/183287085.db2.gz YYSKGULBDXTKTJ-LLVKDONJSA-N 2 2 303.244 3.408 10 0 DGAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042579248 183287086 /nfs/dbraw/zinc/28/70/86/183287086.db2.gz YYSKGULBDXTKTJ-LLVKDONJSA-N 2 2 303.244 3.408 10 0 DGAELP COCC[N@H+]([C@@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042615222 183291279 /nfs/dbraw/zinc/29/12/79/183291279.db2.gz CQZXEUZADYURKC-JQWIXIFHSA-N 2 2 302.871 3.148 10 0 DGAELP COCC[N@@H+]([C@@H](C)C1CC1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042615222 183291282 /nfs/dbraw/zinc/29/12/82/183291282.db2.gz CQZXEUZADYURKC-JQWIXIFHSA-N 2 2 302.871 3.148 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000121724284 195335089 /nfs/dbraw/zinc/33/50/89/195335089.db2.gz YRMNJRJKRZRSKY-GLJUWKHASA-N 2 2 303.450 3.024 10 0 DGAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000121724284 195335091 /nfs/dbraw/zinc/33/50/91/195335091.db2.gz YRMNJRJKRZRSKY-GLJUWKHASA-N 2 2 303.450 3.024 10 0 DGAELP C[C@@]1(C[NH2+]Cc2cncs2)CCC[N@@H+]1Cc1ccccc1 ZINC000121793906 195348054 /nfs/dbraw/zinc/34/80/54/195348054.db2.gz QDULVUIYKJCAIN-KRWDZBQOSA-N 2 2 301.459 3.287 10 0 DGAELP C[C@@]1(C[NH2+]Cc2cncs2)CCC[N@H+]1Cc1ccccc1 ZINC000121793906 195348056 /nfs/dbraw/zinc/34/80/56/195348056.db2.gz QDULVUIYKJCAIN-KRWDZBQOSA-N 2 2 301.459 3.287 10 0 DGAELP Cc1noc(C)c1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121811153 195352977 /nfs/dbraw/zinc/35/29/77/195352977.db2.gz BLWOJHWPBYVSJF-LJQANCHMSA-N 2 2 313.445 3.436 10 0 DGAELP Cc1noc(C)c1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121811153 195352979 /nfs/dbraw/zinc/35/29/79/195352979.db2.gz BLWOJHWPBYVSJF-LJQANCHMSA-N 2 2 313.445 3.436 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616606992 400183613 /nfs/dbraw/zinc/18/36/13/400183613.db2.gz BFHPGBATOZBSGB-HNNXBMFYSA-N 2 2 305.422 3.129 10 0 DGAELP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616606992 400183618 /nfs/dbraw/zinc/18/36/18/400183618.db2.gz BFHPGBATOZBSGB-HNNXBMFYSA-N 2 2 305.422 3.129 10 0 DGAELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)[nH]1 ZINC000092073941 400153855 /nfs/dbraw/zinc/15/38/55/400153855.db2.gz IUHQAIXHPSKSSZ-OAHLLOKOSA-N 2 2 307.401 3.179 10 0 DGAELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)[nH]1 ZINC000092073941 400153859 /nfs/dbraw/zinc/15/38/59/400153859.db2.gz IUHQAIXHPSKSSZ-OAHLLOKOSA-N 2 2 307.401 3.179 10 0 DGAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc2cnccc2c1 ZINC000616693317 400206324 /nfs/dbraw/zinc/20/63/24/400206324.db2.gz WSWSRWMFOGBFQP-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc2cnccc2c1 ZINC000616693317 400206329 /nfs/dbraw/zinc/20/63/29/400206329.db2.gz WSWSRWMFOGBFQP-FQEVSTJZSA-N 2 2 303.409 3.141 10 0 DGAELP CC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000028711014 400291350 /nfs/dbraw/zinc/29/13/50/400291350.db2.gz QZKITPPOOBAOOW-HXUWFJFHSA-N 2 2 312.457 3.001 10 0 DGAELP CC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000028711014 400291355 /nfs/dbraw/zinc/29/13/55/400291355.db2.gz QZKITPPOOBAOOW-HXUWFJFHSA-N 2 2 312.457 3.001 10 0 DGAELP CC[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000028711014 400291359 /nfs/dbraw/zinc/29/13/59/400291359.db2.gz QZKITPPOOBAOOW-HXUWFJFHSA-N 2 2 312.457 3.001 10 0 DGAELP CC[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000028711014 400291363 /nfs/dbraw/zinc/29/13/63/400291363.db2.gz QZKITPPOOBAOOW-HXUWFJFHSA-N 2 2 312.457 3.001 10 0 DGAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1c(Cl)cccc1Cl ZINC000124499978 400476115 /nfs/dbraw/zinc/47/61/15/400476115.db2.gz KTNQZULVPOSALG-WDEREUQCSA-N 2 2 303.233 3.184 10 0 DGAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1c(Cl)cccc1Cl ZINC000124499978 400476119 /nfs/dbraw/zinc/47/61/19/400476119.db2.gz KTNQZULVPOSALG-WDEREUQCSA-N 2 2 303.233 3.184 10 0 DGAELP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000134480623 400578651 /nfs/dbraw/zinc/57/86/51/400578651.db2.gz CGXCVZLDHPRKRE-ZDUSSCGKSA-N 2 2 305.809 3.021 10 0 DGAELP [NH3+]CCCN(Cc1ccc(Br)cc1)c1cccc[nH+]1 ZINC000140466545 400618934 /nfs/dbraw/zinc/61/89/34/400618934.db2.gz NGGBFUQFUDGHPU-UHFFFAOYSA-N 2 2 320.234 3.200 10 0 DGAELP Cc1ccc([C@@H](CNc2cc[nH+]cc2C)[NH+]2CCOCC2)s1 ZINC000191980751 400914133 /nfs/dbraw/zinc/91/41/33/400914133.db2.gz WNDQHTHYNLMZDN-MRXNPFEDSA-N 2 2 317.458 3.245 10 0 DGAELP COCCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358223681 286002495 /nfs/dbraw/zinc/00/24/95/286002495.db2.gz LHFDGZFNKPWXIH-QGZVFWFLSA-N 2 2 318.461 3.014 10 0 DGAELP COCCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358223681 286002498 /nfs/dbraw/zinc/00/24/98/286002498.db2.gz LHFDGZFNKPWXIH-QGZVFWFLSA-N 2 2 318.461 3.014 10 0 DGAELP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000358314118 286028997 /nfs/dbraw/zinc/02/89/97/286028997.db2.gz FDNCURYSGVFYLG-HNNXBMFYSA-N 2 2 309.404 3.214 10 0 DGAELP c1cc(C[NH+]2CC(Cc3ccsc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000621741161 401292695 /nfs/dbraw/zinc/29/26/95/401292695.db2.gz FHQGQCBWIACIKO-UHFFFAOYSA-N 2 2 310.426 3.003 10 0 DGAELP c1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n(CC2CCC2)n1 ZINC000631051374 401378996 /nfs/dbraw/zinc/37/89/96/401378996.db2.gz UFOZZRDZCVZJDD-UHFFFAOYSA-N 2 2 321.428 3.159 10 0 DGAELP COc1ccsc1[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000186108530 165028106 /nfs/dbraw/zinc/02/81/06/165028106.db2.gz IOWZFKXJVRWBMZ-ZDUSSCGKSA-N 2 2 317.458 3.471 10 0 DGAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCCc3ccccc3)CC2)CCO1 ZINC000186727328 165056882 /nfs/dbraw/zinc/05/68/82/165056882.db2.gz WCAAZXCKFBAJIE-GOSISDBHSA-N 2 2 316.489 3.194 10 0 DGAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCCc3ccccc3)CC2)CCO1 ZINC000186727328 165056883 /nfs/dbraw/zinc/05/68/83/165056883.db2.gz WCAAZXCKFBAJIE-GOSISDBHSA-N 2 2 316.489 3.194 10 0 DGAELP c1ccc(C[N@H+]2CC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000192953528 165312330 /nfs/dbraw/zinc/31/23/30/165312330.db2.gz HWNPOCPVMZOFAK-MRXNPFEDSA-N 2 2 308.429 3.288 10 0 DGAELP c1ccc(C[N@@H+]2CC[C@H](CNc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000192953528 165312335 /nfs/dbraw/zinc/31/23/35/165312335.db2.gz HWNPOCPVMZOFAK-MRXNPFEDSA-N 2 2 308.429 3.288 10 0 DGAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000193471162 165327378 /nfs/dbraw/zinc/32/73/78/165327378.db2.gz RNSLZXHKICOWMX-QGZVFWFLSA-N 2 2 312.461 3.254 10 0 DGAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000193471162 165327381 /nfs/dbraw/zinc/32/73/81/165327381.db2.gz RNSLZXHKICOWMX-QGZVFWFLSA-N 2 2 312.461 3.254 10 0 DGAELP CCCOc1cccc2c(N3CC[NH+]4CCC3CC4)cc[nH+]c12 ZINC000194747495 165354454 /nfs/dbraw/zinc/35/44/54/165354454.db2.gz HQZIPJXOUUDIDN-UHFFFAOYSA-N 2 2 311.429 3.308 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000195516364 165373694 /nfs/dbraw/zinc/37/36/94/165373694.db2.gz GNFCHRJFFYOJIU-INIZCTEOSA-N 2 2 313.449 3.101 10 0 DGAELP CC1(C)[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]2CCCO[C@H]21 ZINC000245829010 165486059 /nfs/dbraw/zinc/48/60/59/165486059.db2.gz BIHVXBXQAWSBQW-MORSLUCNSA-N 2 2 313.445 3.289 10 0 DGAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190484472 432163822 /nfs/dbraw/zinc/16/38/22/432163822.db2.gz RVBJHSQWAKPCPZ-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190484472 432163827 /nfs/dbraw/zinc/16/38/27/432163827.db2.gz RVBJHSQWAKPCPZ-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190484472 432163828 /nfs/dbraw/zinc/16/38/28/432163828.db2.gz RVBJHSQWAKPCPZ-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000190484472 432163833 /nfs/dbraw/zinc/16/38/33/432163833.db2.gz RVBJHSQWAKPCPZ-MRXNPFEDSA-N 2 2 301.459 3.097 10 0 DGAELP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1-c1ccccc1 ZINC000246855412 432174657 /nfs/dbraw/zinc/17/46/57/432174657.db2.gz SGHXKXLJJQWFIN-PXNSSMCTSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1[nH+]cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1-c1ccccc1 ZINC000246855412 432174659 /nfs/dbraw/zinc/17/46/59/432174659.db2.gz SGHXKXLJJQWFIN-PXNSSMCTSA-N 2 2 324.472 3.097 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182405120 432186740 /nfs/dbraw/zinc/18/67/40/432186740.db2.gz UNEMGNRFZKAOEB-KRWDZBQOSA-N 2 2 315.392 3.068 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000182405120 432186742 /nfs/dbraw/zinc/18/67/42/432186742.db2.gz UNEMGNRFZKAOEB-KRWDZBQOSA-N 2 2 315.392 3.068 10 0 DGAELP CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131289778 196157613 /nfs/dbraw/zinc/15/76/13/196157613.db2.gz LCTUSJZDRGUQTJ-MRXNPFEDSA-N 2 2 319.836 3.389 10 0 DGAELP CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CCn1cc[nH+]c1 ZINC000131289778 196157615 /nfs/dbraw/zinc/15/76/15/196157615.db2.gz LCTUSJZDRGUQTJ-MRXNPFEDSA-N 2 2 319.836 3.389 10 0 DGAELP C([C@H]1CCC2(CCCCC2)O1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000190938109 432203818 /nfs/dbraw/zinc/20/38/18/432203818.db2.gz MDZDCJVUMBPZGC-GOSISDBHSA-N 2 2 306.494 3.429 10 0 DGAELP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000247114563 432204210 /nfs/dbraw/zinc/20/42/10/432204210.db2.gz PHIMOKMDGZPSCA-CRAIPNDOSA-N 2 2 322.880 3.324 10 0 DGAELP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000247114563 432204211 /nfs/dbraw/zinc/20/42/11/432204211.db2.gz PHIMOKMDGZPSCA-CRAIPNDOSA-N 2 2 322.880 3.324 10 0 DGAELP CC[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1nccn1C ZINC000182680106 432217584 /nfs/dbraw/zinc/21/75/84/432217584.db2.gz AFPPICXNRVTTMI-QGZVFWFLSA-N 2 2 304.482 3.115 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(Br)c1 ZINC000154525800 227100907 /nfs/dbraw/zinc/10/09/07/227100907.db2.gz SXIZMVMNZRYGIR-JQWIXIFHSA-N 2 2 315.230 3.333 10 0 DGAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)c(Br)c1 ZINC000154525800 227100911 /nfs/dbraw/zinc/10/09/11/227100911.db2.gz SXIZMVMNZRYGIR-JQWIXIFHSA-N 2 2 315.230 3.333 10 0 DGAELP c1[nH]nc2cc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)ccc12 ZINC000299750939 229394189 /nfs/dbraw/zinc/39/41/89/229394189.db2.gz OVFRLGKEZULNNA-MRXNPFEDSA-N 2 2 321.428 3.085 10 0 DGAELP c1[nH]nc2cc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)ccc12 ZINC000299750939 229394193 /nfs/dbraw/zinc/39/41/93/229394193.db2.gz OVFRLGKEZULNNA-MRXNPFEDSA-N 2 2 321.428 3.085 10 0 DGAELP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423571515 273473107 /nfs/dbraw/zinc/47/31/07/273473107.db2.gz XQNGHLANPLEKGY-KOLCDFICSA-N 2 2 315.280 3.230 10 0 DGAELP c1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000124345685 275067537 /nfs/dbraw/zinc/06/75/37/275067537.db2.gz VVOVMKHSILBEEX-LJQANCHMSA-N 2 2 307.441 3.198 10 0 DGAELP C[C@H]1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C[C@H](C)C1 ZINC000328627212 278326642 /nfs/dbraw/zinc/32/66/42/278326642.db2.gz FVYWMVLUKPNSSY-RRIFGTCXSA-N 2 2 301.478 3.489 10 0 DGAELP C[C@H]1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C[C@H](C)C1 ZINC000328627212 278326643 /nfs/dbraw/zinc/32/66/43/278326643.db2.gz FVYWMVLUKPNSSY-RRIFGTCXSA-N 2 2 301.478 3.489 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000246002983 279248344 /nfs/dbraw/zinc/24/83/44/279248344.db2.gz SBZAEGOSNZYWKR-HFTRVMKXSA-N 2 2 318.461 3.142 10 0 DGAELP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000246002983 279248346 /nfs/dbraw/zinc/24/83/46/279248346.db2.gz SBZAEGOSNZYWKR-HFTRVMKXSA-N 2 2 318.461 3.142 10 0 DGAELP CSc1ccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000075639170 431488389 /nfs/dbraw/zinc/48/83/89/431488389.db2.gz ZYDZXYSSPOSAGJ-UHFFFAOYSA-N 2 2 320.502 3.348 10 0 DGAELP C[C@H]1c2cccc(Br)c2CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261825146 280124581 /nfs/dbraw/zinc/12/45/81/280124581.db2.gz IPHHCXBFATXVCP-STQMWFEESA-N 2 2 323.278 3.368 10 0 DGAELP C[C@H]1c2cccc(Br)c2CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261825146 280124584 /nfs/dbraw/zinc/12/45/84/280124584.db2.gz IPHHCXBFATXVCP-STQMWFEESA-N 2 2 323.278 3.368 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000122624167 431840249 /nfs/dbraw/zinc/84/02/49/431840249.db2.gz KZSUZKOROSIOTL-OAHLLOKOSA-N 2 2 317.437 3.315 10 0 DGAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000122624167 431840252 /nfs/dbraw/zinc/84/02/52/431840252.db2.gz KZSUZKOROSIOTL-OAHLLOKOSA-N 2 2 317.437 3.315 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@@H+]1C ZINC000123100221 431854985 /nfs/dbraw/zinc/85/49/85/431854985.db2.gz ZFXYTRUVXBFDNC-OCCSQVGLSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3cc(Cl)ccc3n2C)CC[N@H+]1C ZINC000123100221 431854987 /nfs/dbraw/zinc/85/49/87/431854987.db2.gz ZFXYTRUVXBFDNC-OCCSQVGLSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123100221 431854990 /nfs/dbraw/zinc/85/49/90/431854990.db2.gz ZFXYTRUVXBFDNC-OCCSQVGLSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC[NH+]1C ZINC000123100221 431854992 /nfs/dbraw/zinc/85/49/92/431854992.db2.gz ZFXYTRUVXBFDNC-OCCSQVGLSA-N 2 2 320.868 3.141 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)s2)CC[N@@H+]1C ZINC000123861605 431876618 /nfs/dbraw/zinc/87/66/18/431876618.db2.gz DPUPMNHHJTXWJX-WDEREUQCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)s2)CC[N@H+]1C ZINC000123861605 431876620 /nfs/dbraw/zinc/87/66/20/431876620.db2.gz DPUPMNHHJTXWJX-WDEREUQCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123861605 431876622 /nfs/dbraw/zinc/87/66/22/431876622.db2.gz DPUPMNHHJTXWJX-WDEREUQCSA-N 2 2 317.296 3.425 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)s2)CC[NH+]1C ZINC000123861605 431876624 /nfs/dbraw/zinc/87/66/24/431876624.db2.gz DPUPMNHHJTXWJX-WDEREUQCSA-N 2 2 317.296 3.425 10 0 DGAELP c1cn(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)c[nH+]1 ZINC000126465933 431950312 /nfs/dbraw/zinc/95/03/12/431950312.db2.gz RVNJCNZLLQJPMD-GOSISDBHSA-N 2 2 311.429 3.265 10 0 DGAELP c1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccncc2)cc1 ZINC000128083243 431987582 /nfs/dbraw/zinc/98/75/82/431987582.db2.gz GAXZXNFEWAGJIF-AQNXPRMDSA-N 2 2 307.441 3.387 10 0 DGAELP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccncc2)cc1 ZINC000128083243 431987583 /nfs/dbraw/zinc/98/75/83/431987583.db2.gz GAXZXNFEWAGJIF-AQNXPRMDSA-N 2 2 307.441 3.387 10 0 DGAELP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cocn2)C1 ZINC000192287502 432354346 /nfs/dbraw/zinc/35/43/46/432354346.db2.gz OKYNBGRGBMBCMF-HZPDHXFCSA-N 2 2 313.445 3.442 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248737624 432313817 /nfs/dbraw/zinc/31/38/17/432313817.db2.gz OPSGGHRWQKQORK-WMZOPIPTSA-N 2 2 306.413 3.431 10 0 DGAELP Cn1c2ccccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248737624 432313821 /nfs/dbraw/zinc/31/38/21/432313821.db2.gz OPSGGHRWQKQORK-WMZOPIPTSA-N 2 2 306.413 3.431 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000248730109 432314458 /nfs/dbraw/zinc/31/44/58/432314458.db2.gz MLEPLVDIVRPDRR-GXSJLCMTSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000248730109 432314462 /nfs/dbraw/zinc/31/44/62/432314462.db2.gz MLEPLVDIVRPDRR-GXSJLCMTSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000248730109 432314463 /nfs/dbraw/zinc/31/44/63/432314463.db2.gz MLEPLVDIVRPDRR-GXSJLCMTSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC000248730109 432314467 /nfs/dbraw/zinc/31/44/67/432314467.db2.gz MLEPLVDIVRPDRR-GXSJLCMTSA-N 2 2 321.412 3.385 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000252802409 432388291 /nfs/dbraw/zinc/38/82/91/432388291.db2.gz MNLNWTJOPGDGIO-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP Cc1ccc2[nH+]cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000252802409 432388294 /nfs/dbraw/zinc/38/82/94/432388294.db2.gz MNLNWTJOPGDGIO-QFBILLFUSA-N 2 2 324.472 3.091 10 0 DGAELP C[C@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193115868 432450641 /nfs/dbraw/zinc/45/06/41/432450641.db2.gz QHSNRUFDXJDSDT-YJBOKZPZSA-N 2 2 315.417 3.066 10 0 DGAELP C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261871766 432457083 /nfs/dbraw/zinc/45/70/83/432457083.db2.gz OYEPCWYIUOXBQH-AWEZNQCLSA-N 2 2 302.340 3.017 10 0 DGAELP C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261871766 432457085 /nfs/dbraw/zinc/45/70/85/432457085.db2.gz OYEPCWYIUOXBQH-AWEZNQCLSA-N 2 2 302.340 3.017 10 0 DGAELP Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000154919222 432529317 /nfs/dbraw/zinc/52/93/17/432529317.db2.gz KXTBIGZWDADESX-OAHLLOKOSA-N 2 2 302.466 3.362 10 0 DGAELP Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000154919222 432529321 /nfs/dbraw/zinc/52/93/21/432529321.db2.gz KXTBIGZWDADESX-OAHLLOKOSA-N 2 2 302.466 3.362 10 0 DGAELP FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000176983486 432573106 /nfs/dbraw/zinc/57/31/06/432573106.db2.gz KECBWCJLDJJNHZ-ZDUSSCGKSA-N 2 2 310.323 3.042 10 0 DGAELP FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000176983486 432573108 /nfs/dbraw/zinc/57/31/08/432573108.db2.gz KECBWCJLDJJNHZ-ZDUSSCGKSA-N 2 2 310.323 3.042 10 0 DGAELP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CCSCC1 ZINC000187037833 432642510 /nfs/dbraw/zinc/64/25/10/432642510.db2.gz LVBQCGSUPYURFC-MAUKXSAKSA-N 2 2 306.519 3.281 10 0 DGAELP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CCSCC1 ZINC000187037817 432643039 /nfs/dbraw/zinc/64/30/39/432643039.db2.gz LVBQCGSUPYURFC-QAPCUYQASA-N 2 2 306.519 3.281 10 0 DGAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690701 432651470 /nfs/dbraw/zinc/65/14/70/432651470.db2.gz AGUCETNSQKDDGW-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690701 432651474 /nfs/dbraw/zinc/65/14/74/432651474.db2.gz AGUCETNSQKDDGW-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690701 432651476 /nfs/dbraw/zinc/65/14/76/432651476.db2.gz AGUCETNSQKDDGW-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177690701 432651478 /nfs/dbraw/zinc/65/14/78/432651478.db2.gz AGUCETNSQKDDGW-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC(C)(C)[NH2+]CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000228727134 432717997 /nfs/dbraw/zinc/71/79/97/432717997.db2.gz MDHLAXLZISRUHU-UHFFFAOYSA-N 2 2 303.219 3.066 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000178302860 432718927 /nfs/dbraw/zinc/71/89/27/432718927.db2.gz YHMBHGQZQJYXQI-SJORKVTESA-N 2 2 319.836 3.043 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000178302860 432718932 /nfs/dbraw/zinc/71/89/32/432718932.db2.gz YHMBHGQZQJYXQI-SJORKVTESA-N 2 2 319.836 3.043 10 0 DGAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc2ccccc2s1 ZINC000187820983 432686610 /nfs/dbraw/zinc/68/66/10/432686610.db2.gz YZEOUQOHRMEUQH-ZBFHGGJFSA-N 2 2 318.486 3.399 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000163280921 432847333 /nfs/dbraw/zinc/84/73/33/432847333.db2.gz SFHVSMUOJPQOPT-WMZOPIPTSA-N 2 2 304.478 3.053 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000163280921 432847336 /nfs/dbraw/zinc/84/73/36/432847336.db2.gz SFHVSMUOJPQOPT-WMZOPIPTSA-N 2 2 304.478 3.053 10 0 DGAELP C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245612038 432848699 /nfs/dbraw/zinc/84/86/99/432848699.db2.gz VYUWFFDQIVCCTG-WMLDXEAASA-N 2 2 315.392 3.178 10 0 DGAELP C[C@H]1CC[N@@H+](CCC(=O)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245612038 432848701 /nfs/dbraw/zinc/84/87/01/432848701.db2.gz VYUWFFDQIVCCTG-WMLDXEAASA-N 2 2 315.392 3.178 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620171 432850120 /nfs/dbraw/zinc/85/01/20/432850120.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620171 432850123 /nfs/dbraw/zinc/85/01/23/432850123.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000245620171 432850126 /nfs/dbraw/zinc/85/01/26/432850126.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 2 2 321.896 3.158 10 0 DGAELP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC[NH+]1C ZINC000245620171 432850129 /nfs/dbraw/zinc/85/01/29/432850129.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 2 2 321.896 3.158 10 0 DGAELP CCCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245684791 432855440 /nfs/dbraw/zinc/85/54/40/432855440.db2.gz AJMSENPUIJIXPO-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245684791 432855442 /nfs/dbraw/zinc/85/54/42/432855442.db2.gz AJMSENPUIJIXPO-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245684791 432855446 /nfs/dbraw/zinc/85/54/46/432855446.db2.gz AJMSENPUIJIXPO-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP CCCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000245684791 432855449 /nfs/dbraw/zinc/85/54/49/432855449.db2.gz AJMSENPUIJIXPO-RDJZCZTQSA-N 2 2 320.477 3.399 10 0 DGAELP c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)nc1 ZINC000425423957 433238654 /nfs/dbraw/zinc/23/86/54/433238654.db2.gz VRFCOIKBRVQAIH-GOSISDBHSA-N 2 2 322.456 3.061 10 0 DGAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)nc1 ZINC000425423957 433238664 /nfs/dbraw/zinc/23/86/64/433238664.db2.gz VRFCOIKBRVQAIH-GOSISDBHSA-N 2 2 322.456 3.061 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880765 433412893 /nfs/dbraw/zinc/41/28/93/433412893.db2.gz AHFZDKHFFWPWCR-KRWDZBQOSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@H]2CCC[N@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880765 433412903 /nfs/dbraw/zinc/41/29/03/433412903.db2.gz AHFZDKHFFWPWCR-KRWDZBQOSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883269 433419449 /nfs/dbraw/zinc/41/94/49/433419449.db2.gz ALZLCFAPBSDKHQ-QGZVFWFLSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883269 433419456 /nfs/dbraw/zinc/41/94/56/433419456.db2.gz ALZLCFAPBSDKHQ-QGZVFWFLSA-N 2 2 310.445 3.037 10 0 DGAELP c1[nH]c(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)c[nH+]1 ZINC000368489731 293126835 /nfs/dbraw/zinc/12/68/35/293126835.db2.gz FQIGXIUXYNZIPW-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)[nH+]1 ZINC000368489731 293126839 /nfs/dbraw/zinc/12/68/39/293126839.db2.gz FQIGXIUXYNZIPW-UHFFFAOYSA-N 2 2 308.385 3.444 10 0 DGAELP c1oc(-c2ccccc2)nc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414890081 433904393 /nfs/dbraw/zinc/90/43/93/433904393.db2.gz ZDFGYSZSYUJFSE-UHFFFAOYSA-N 2 2 322.412 3.006 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000340210896 433982985 /nfs/dbraw/zinc/98/29/85/433982985.db2.gz XFMMQNYKPWAYOR-MSOLQXFVSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000340210896 433982993 /nfs/dbraw/zinc/98/29/93/433982993.db2.gz XFMMQNYKPWAYOR-MSOLQXFVSA-N 2 2 302.462 3.198 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000313264060 434125739 /nfs/dbraw/zinc/12/57/39/434125739.db2.gz MRWQIAQMWQQOIL-OAHLLOKOSA-N 2 2 320.234 3.002 10 0 DGAELP c1coc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013954 434152519 /nfs/dbraw/zinc/15/25/19/434152519.db2.gz GCOUNPUQZPKSLR-ZFWWWQNUSA-N 2 2 317.458 3.367 10 0 DGAELP c1coc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cs2)c1 ZINC000315013954 434152528 /nfs/dbraw/zinc/15/25/28/434152528.db2.gz GCOUNPUQZPKSLR-ZFWWWQNUSA-N 2 2 317.458 3.367 10 0 DGAELP Fc1ccc(/C=C/C[NH2+]CCc2cn3ccccc3[nH+]2)cc1F ZINC000512133029 294431521 /nfs/dbraw/zinc/43/15/21/294431521.db2.gz XGGLHRLQFMANNM-ONEGZZNKSA-N 2 2 313.351 3.458 10 0 DGAELP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357793587 434187207 /nfs/dbraw/zinc/18/72/07/434187207.db2.gz LQXHVIMIHHZPSK-MRXNPFEDSA-N 2 2 306.413 3.486 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)c2)c[nH+]1 ZINC000346215466 434207697 /nfs/dbraw/zinc/20/76/97/434207697.db2.gz KFTKBUBRDBNMLQ-QGZVFWFLSA-N 2 2 317.458 3.326 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)c2)c[nH+]1 ZINC000346215466 434207710 /nfs/dbraw/zinc/20/77/10/434207710.db2.gz KFTKBUBRDBNMLQ-QGZVFWFLSA-N 2 2 317.458 3.326 10 0 DGAELP c1nc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000295126451 434219943 /nfs/dbraw/zinc/21/99/43/434219943.db2.gz BSCSTDKSMDOUSB-CQSZACIVSA-N 2 2 316.474 3.098 10 0 DGAELP c1nc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000295126451 434219957 /nfs/dbraw/zinc/21/99/57/434219957.db2.gz BSCSTDKSMDOUSB-CQSZACIVSA-N 2 2 316.474 3.098 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379645606 434257189 /nfs/dbraw/zinc/25/71/89/434257189.db2.gz IDDVFPUFRVUVFB-PKOBYXMFSA-N 3 2 303.494 3.148 10 0 DGAELP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379645606 434257195 /nfs/dbraw/zinc/25/71/95/434257195.db2.gz IDDVFPUFRVUVFB-PKOBYXMFSA-N 3 2 303.494 3.148 10 0 DGAELP C[N@H+](Cc1cc(Cl)cc(Cl)c1N)[C@H]1C[NH+]2CCC1CC2 ZINC000381357281 434271882 /nfs/dbraw/zinc/27/18/82/434271882.db2.gz GAIDAYWQCIMPLA-AWEZNQCLSA-N 2 2 314.260 3.102 10 0 DGAELP C[N@@H+](Cc1cc(Cl)cc(Cl)c1N)[C@H]1C[NH+]2CCC1CC2 ZINC000381357281 434271893 /nfs/dbraw/zinc/27/18/93/434271893.db2.gz GAIDAYWQCIMPLA-AWEZNQCLSA-N 2 2 314.260 3.102 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCCCO1 ZINC000382112816 434275564 /nfs/dbraw/zinc/27/55/64/434275564.db2.gz RMSOFIIQXPEROD-RNIPGJKVSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCCCO1 ZINC000382112816 434275571 /nfs/dbraw/zinc/27/55/71/434275571.db2.gz RMSOFIIQXPEROD-RNIPGJKVSA-N 2 2 302.462 3.197 10 0 DGAELP c1csc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752940 434313006 /nfs/dbraw/zinc/31/30/06/434313006.db2.gz CLJINYZNRNGBNE-ZFWWWQNUSA-N 2 2 317.458 3.367 10 0 DGAELP c1csc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)co2)c1 ZINC000386752940 434313016 /nfs/dbraw/zinc/31/30/16/434313016.db2.gz CLJINYZNRNGBNE-ZFWWWQNUSA-N 2 2 317.458 3.367 10 0 DGAELP Brc1sccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000388816068 434335404 /nfs/dbraw/zinc/33/54/04/434335404.db2.gz GSSOLKLMICRCJM-SNVBAGLBSA-N 2 2 315.280 3.085 10 0 DGAELP Brc1sccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000388816068 434335415 /nfs/dbraw/zinc/33/54/15/434335415.db2.gz GSSOLKLMICRCJM-SNVBAGLBSA-N 2 2 315.280 3.085 10 0 DGAELP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000527646790 295109348 /nfs/dbraw/zinc/10/93/48/295109348.db2.gz YSMYPEXBNPXZFF-LLVKDONJSA-N 2 2 317.296 3.332 10 0 DGAELP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccsc2Br)C1 ZINC000527646790 295109351 /nfs/dbraw/zinc/10/93/51/295109351.db2.gz YSMYPEXBNPXZFF-LLVKDONJSA-N 2 2 317.296 3.332 10 0 DGAELP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cs1 ZINC000527808752 295134553 /nfs/dbraw/zinc/13/45/53/295134553.db2.gz KZYMVEIHWKAMNN-MRXNPFEDSA-N 2 2 316.474 3.245 10 0 DGAELP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cs1 ZINC000527808752 295134554 /nfs/dbraw/zinc/13/45/54/295134554.db2.gz KZYMVEIHWKAMNN-MRXNPFEDSA-N 2 2 316.474 3.245 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002801 295164453 /nfs/dbraw/zinc/16/44/53/295164453.db2.gz QXVCNDNPMIJRKR-QXCFHYIPSA-N 2 2 306.494 3.188 10 0 DGAELP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002801 295164455 /nfs/dbraw/zinc/16/44/55/295164455.db2.gz QXVCNDNPMIJRKR-QXCFHYIPSA-N 2 2 306.494 3.188 10 0 DGAELP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000459675830 434658628 /nfs/dbraw/zinc/65/86/28/434658628.db2.gz NDRUHFJWYJPZRA-AYHJJNSGSA-N 2 2 311.429 3.268 10 0 DGAELP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000459675830 434658634 /nfs/dbraw/zinc/65/86/34/434658634.db2.gz NDRUHFJWYJPZRA-AYHJJNSGSA-N 2 2 311.429 3.268 10 0 DGAELP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000531722444 435112301 /nfs/dbraw/zinc/11/23/01/435112301.db2.gz BJLQHUJRUKHHJC-HNAYVOBHSA-N 2 2 313.445 3.237 10 0 DGAELP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000531722444 435112305 /nfs/dbraw/zinc/11/23/05/435112305.db2.gz BJLQHUJRUKHHJC-HNAYVOBHSA-N 2 2 313.445 3.237 10 0 DGAELP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059027 435700946 /nfs/dbraw/zinc/70/09/46/435700946.db2.gz QSAXFSPHELAQQM-MSOLQXFVSA-N 2 2 324.509 3.306 10 0 DGAELP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491059027 435700952 /nfs/dbraw/zinc/70/09/52/435700952.db2.gz QSAXFSPHELAQQM-MSOLQXFVSA-N 2 2 324.509 3.306 10 0 DGAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Br)c1 ZINC000657299692 436124122 /nfs/dbraw/zinc/12/41/22/436124122.db2.gz XZMWGJMSZPKBCJ-LLVKDONJSA-N 2 2 320.234 3.443 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657432789 436198664 /nfs/dbraw/zinc/19/86/64/436198664.db2.gz KECJDRFUVBMVNP-GBESFXJTSA-N 2 2 324.472 3.027 10 0 DGAELP Cc1nc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657432789 436198667 /nfs/dbraw/zinc/19/86/67/436198667.db2.gz KECJDRFUVBMVNP-GBESFXJTSA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC000657432789 436198671 /nfs/dbraw/zinc/19/86/71/436198671.db2.gz KECJDRFUVBMVNP-GBESFXJTSA-N 2 2 324.472 3.027 10 0 DGAELP Cc1[nH]c(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC000657432789 436198675 /nfs/dbraw/zinc/19/86/75/436198675.db2.gz KECJDRFUVBMVNP-GBESFXJTSA-N 2 2 324.472 3.027 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545158429 314228527 /nfs/dbraw/zinc/22/85/27/314228527.db2.gz KMWVLCIIASCNSJ-LJQANCHMSA-N 2 2 320.452 3.015 10 0 DGAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545158429 314228528 /nfs/dbraw/zinc/22/85/28/314228528.db2.gz KMWVLCIIASCNSJ-LJQANCHMSA-N 2 2 320.452 3.015 10 0 DGAELP c1[nH]cc(C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)[nH+]1 ZINC000563024853 315071175 /nfs/dbraw/zinc/07/11/75/315071175.db2.gz DDHKAEOGEMKBMJ-UHFFFAOYSA-N 2 2 319.412 3.246 10 0 DGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000163440319 523835800 /nfs/dbraw/zinc/83/58/00/523835800.db2.gz ISIMZLPZGLHBDB-HOCLYGCPSA-N 2 2 302.418 3.194 10 0 DGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000163440319 523835804 /nfs/dbraw/zinc/83/58/04/523835804.db2.gz ISIMZLPZGLHBDB-HOCLYGCPSA-N 2 2 302.418 3.194 10 0 DGAELP Cc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070455991 525266492 /nfs/dbraw/zinc/26/64/92/525266492.db2.gz HNLASRFSASWMFU-UHFFFAOYSA-N 2 2 300.381 3.003 10 0 DGAELP Cc1nc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000157170663 526858937 /nfs/dbraw/zinc/85/89/37/526858937.db2.gz QNWKERDAMNYVIE-QGZVFWFLSA-N 2 2 324.472 3.389 10 0 DGAELP Cc1nc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc2ccccc12 ZINC000157170663 526858941 /nfs/dbraw/zinc/85/89/41/526858941.db2.gz QNWKERDAMNYVIE-QGZVFWFLSA-N 2 2 324.472 3.389 10 0 DGAELP FC(F)COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188413847 546205053 /nfs/dbraw/zinc/20/50/53/546205053.db2.gz NQRFMUZXHYWMIW-OAHLLOKOSA-N 2 2 321.371 3.192 10 0 DGAELP FC(F)COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188413847 546205056 /nfs/dbraw/zinc/20/50/56/546205056.db2.gz NQRFMUZXHYWMIW-OAHLLOKOSA-N 2 2 321.371 3.192 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250396373 546328705 /nfs/dbraw/zinc/32/87/05/546328705.db2.gz ILZIBFYRQLAMHN-GOEBONIOSA-N 2 2 308.853 3.313 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000250396373 546328708 /nfs/dbraw/zinc/32/87/08/546328708.db2.gz ILZIBFYRQLAMHN-GOEBONIOSA-N 2 2 308.853 3.313 10 0 DGAELP c1[nH+]c2c(n1[C@H]1CCN(c3[nH]c4ccccc4[nH+]3)C1)CCCC2 ZINC000299739164 563938697 /nfs/dbraw/zinc/93/86/97/563938697.db2.gz LIDGTUMWEVHBRX-ZDUSSCGKSA-N 2 2 307.401 3.090 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncs1 ZINC000398111533 575960639 /nfs/dbraw/zinc/96/06/39/575960639.db2.gz NYOKRQZPXYRHQY-WMLDXEAASA-N 2 2 301.459 3.143 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncs1 ZINC000398111533 575960644 /nfs/dbraw/zinc/96/06/44/575960644.db2.gz NYOKRQZPXYRHQY-WMLDXEAASA-N 2 2 301.459 3.143 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000398111536 575960873 /nfs/dbraw/zinc/96/08/73/575960873.db2.gz NYOKRQZPXYRHQY-YOEHRIQHSA-N 2 2 301.459 3.143 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC000398111536 575960876 /nfs/dbraw/zinc/96/08/76/575960876.db2.gz NYOKRQZPXYRHQY-YOEHRIQHSA-N 2 2 301.459 3.143 10 0 DGAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261888459 657161901 /nfs/dbraw/zinc/16/19/01/657161901.db2.gz SOBBPLLGZPIJCD-CRAIPNDOSA-N 2 2 321.896 3.018 10 0 DGAELP C[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC[N@@H+]1Cc1ccccc1 ZINC000353671904 658336544 /nfs/dbraw/zinc/33/65/44/658336544.db2.gz MJBREAJKXRTDDG-ICSRJNTNSA-N 2 2 324.472 3.431 10 0 DGAELP C[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC[N@H+]1Cc1ccccc1 ZINC000353671904 658336554 /nfs/dbraw/zinc/33/65/54/658336554.db2.gz MJBREAJKXRTDDG-ICSRJNTNSA-N 2 2 324.472 3.431 10 0 DGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1Cc1ccccc1 ZINC000353533404 659996041 /nfs/dbraw/zinc/99/60/41/659996041.db2.gz RTVURHWKKUUXAN-SZVBFZGTSA-N 2 2 324.472 3.430 10 0 DGAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@H+]1Cc1ccccc1 ZINC000353533404 659996042 /nfs/dbraw/zinc/99/60/42/659996042.db2.gz RTVURHWKKUUXAN-SZVBFZGTSA-N 2 2 324.472 3.430 10 0 DGAELP CCCn1cncc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379631995 1176800437 /nfs/dbraw/zinc/80/04/37/1176800437.db2.gz MSAVWLXIPPZEFW-QGZVFWFLSA-N 2 2 314.477 3.293 10 0 DGAELP CCCn1cncc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379631995 1176800445 /nfs/dbraw/zinc/80/04/45/1176800445.db2.gz MSAVWLXIPPZEFW-QGZVFWFLSA-N 2 2 314.477 3.293 10 0 DGAELP CCOC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000379627256 1197704201 /nfs/dbraw/zinc/70/42/01/1197704201.db2.gz MQOYWIBFKBAEOD-XBMUEBEBSA-N 2 2 302.462 3.198 10 0 DGAELP CCOC1CC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000379627256 1197704208 /nfs/dbraw/zinc/70/42/08/1197704208.db2.gz MQOYWIBFKBAEOD-XBMUEBEBSA-N 2 2 302.462 3.198 10 0 DGAELP CC[NH+](CC)CCC[NH2+]Cc1cccc(Br)c1F ZINC000233456550 1202602613 /nfs/dbraw/zinc/60/26/13/1202602613.db2.gz DPUANGBYVKTHQK-UHFFFAOYSA-N 2 2 317.246 3.410 10 0 DGAELP Clc1c(Br)cccc1C[NH2+]CCC[NH+]1CCC1 ZINC000706467361 1082024311 /nfs/dbraw/zinc/02/43/11/1082024311.db2.gz XBTLCIAQTXKHQB-UHFFFAOYSA-N 2 2 317.658 3.288 10 0 DGAELP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)[nH+]c1 ZINC000403531832 1094137236 /nfs/dbraw/zinc/13/72/36/1094137236.db2.gz YOIKGDPTNAFWBX-MQVJKMGUSA-N 2 2 303.475 3.067 10 0 DGAELP CCOC1CC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000379627255 1108033638 /nfs/dbraw/zinc/03/36/38/1108033638.db2.gz MQOYWIBFKBAEOD-JLAWEPINSA-N 2 2 302.462 3.198 10 0 DGAELP CCOC1CC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000379627255 1108033654 /nfs/dbraw/zinc/03/36/54/1108033654.db2.gz MQOYWIBFKBAEOD-JLAWEPINSA-N 2 2 302.462 3.198 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC000172014593 198025714 /nfs/dbraw/zinc/02/57/14/198025714.db2.gz KIJJQGMHTCSAIK-MRXNPFEDSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000172014593 198025715 /nfs/dbraw/zinc/02/57/15/198025715.db2.gz KIJJQGMHTCSAIK-MRXNPFEDSA-N 2 2 301.438 3.060 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCN(C)c2ccccc2)C1 ZINC000131504306 432040724 /nfs/dbraw/zinc/04/07/24/432040724.db2.gz CDMKZYFHMFOPBS-SFHVURJKSA-N 2 2 312.461 3.219 10 0 DGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000131504306 432040727 /nfs/dbraw/zinc/04/07/27/432040727.db2.gz CDMKZYFHMFOPBS-SFHVURJKSA-N 2 2 312.461 3.219 10 0 DGAELP CCc1[nH+]c(-c2ccc(F)cc2)nc(NC2CC[NH2+]CC2)c1C ZINC000073663001 191339634 /nfs/dbraw/zinc/33/96/34/191339634.db2.gz LPRABGNEFOCCNP-UHFFFAOYSA-N 2 2 314.408 3.317 10 0 DGAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685144 191341346 /nfs/dbraw/zinc/34/13/46/191341346.db2.gz KEMFCQZEFXZFLB-MRXNPFEDSA-N 2 2 310.445 3.487 10 0 DGAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2cccc(Br)c2C1 ZINC000179442174 432058420 /nfs/dbraw/zinc/05/84/20/432058420.db2.gz OQLVWUOLKSDZGH-CQSZACIVSA-N 2 2 323.278 3.292 10 0 DGAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2cccc(Br)c2C1 ZINC000179442174 432058422 /nfs/dbraw/zinc/05/84/22/432058422.db2.gz OQLVWUOLKSDZGH-CQSZACIVSA-N 2 2 323.278 3.292 10 0 DGAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000179442174 432058423 /nfs/dbraw/zinc/05/84/23/432058423.db2.gz OQLVWUOLKSDZGH-CQSZACIVSA-N 2 2 323.278 3.292 10 0 DGAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2cccc(Br)c2C1 ZINC000179442174 432058426 /nfs/dbraw/zinc/05/84/26/432058426.db2.gz OQLVWUOLKSDZGH-CQSZACIVSA-N 2 2 323.278 3.292 10 0 DGAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000166892368 432063233 /nfs/dbraw/zinc/06/32/33/432063233.db2.gz QOQMPRHOQOXPNB-GOEBONIOSA-N 2 2 320.799 3.435 10 0 DGAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000166892368 432063234 /nfs/dbraw/zinc/06/32/34/432063234.db2.gz QOQMPRHOQOXPNB-GOEBONIOSA-N 2 2 320.799 3.435 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000180127333 199120271 /nfs/dbraw/zinc/12/02/71/199120271.db2.gz QEYNYOYEUBYVHV-GOSISDBHSA-N 2 2 309.413 3.132 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000180127333 199120272 /nfs/dbraw/zinc/12/02/72/199120272.db2.gz QEYNYOYEUBYVHV-GOSISDBHSA-N 2 2 309.413 3.132 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000180133758 432079124 /nfs/dbraw/zinc/07/91/24/432079124.db2.gz YSEHSTPXYVQKDD-SFHVURJKSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000180133758 432079126 /nfs/dbraw/zinc/07/91/26/432079126.db2.gz YSEHSTPXYVQKDD-SFHVURJKSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000180133780 432079323 /nfs/dbraw/zinc/07/93/23/432079323.db2.gz YSEHSTPXYVQKDD-GOSISDBHSA-N 2 2 321.428 3.246 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000180133780 432079324 /nfs/dbraw/zinc/07/93/24/432079324.db2.gz YSEHSTPXYVQKDD-GOSISDBHSA-N 2 2 321.428 3.246 10 0 DGAELP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246193732 432105178 /nfs/dbraw/zinc/10/51/78/432105178.db2.gz TTXYUVJGJFZGPN-PKOBYXMFSA-N 2 2 312.457 3.208 10 0 DGAELP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246193732 432105180 /nfs/dbraw/zinc/10/51/80/432105180.db2.gz TTXYUVJGJFZGPN-PKOBYXMFSA-N 2 2 312.457 3.208 10 0 DGAELP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246193732 432105183 /nfs/dbraw/zinc/10/51/83/432105183.db2.gz TTXYUVJGJFZGPN-PKOBYXMFSA-N 2 2 312.457 3.208 10 0 DGAELP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246193732 432105184 /nfs/dbraw/zinc/10/51/84/432105184.db2.gz TTXYUVJGJFZGPN-PKOBYXMFSA-N 2 2 312.457 3.208 10 0 DGAELP C/C(=C\c1ccccc1)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092079491 193155020 /nfs/dbraw/zinc/15/50/20/193155020.db2.gz JQRFJSGCLQOLJF-UWXVCKHVSA-N 2 2 314.473 3.275 10 0 DGAELP C/C(=C\c1ccccc1)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092079491 193155022 /nfs/dbraw/zinc/15/50/22/193155022.db2.gz JQRFJSGCLQOLJF-UWXVCKHVSA-N 2 2 314.473 3.275 10 0 DGAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102423807 284022236 /nfs/dbraw/zinc/02/22/36/284022236.db2.gz AUIFEHOBLMZTPG-FQEVSTJZSA-N 2 2 322.452 3.225 10 0 DGAELP C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247186307 296125283 /nfs/dbraw/zinc/12/52/83/296125283.db2.gz VMRBKCSDMDGCEB-DLBZAZTESA-N 2 2 312.461 3.397 10 0 DGAELP c1c(CC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[nH+]c2ccccn12 ZINC000462799568 243690113 /nfs/dbraw/zinc/69/01/13/243690113.db2.gz ZNUAMDKIERUUBK-YESZJQIVSA-N 2 2 313.445 3.062 10 0 DGAELP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643861 193280236 /nfs/dbraw/zinc/28/02/36/193280236.db2.gz IXCKAJKJUPDDBP-NVXWUHKLSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643861 193280238 /nfs/dbraw/zinc/28/02/38/193280238.db2.gz IXCKAJKJUPDDBP-NVXWUHKLSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643861 193280241 /nfs/dbraw/zinc/28/02/41/193280241.db2.gz IXCKAJKJUPDDBP-NVXWUHKLSA-N 2 2 320.477 3.397 10 0 DGAELP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(C)C ZINC000093643861 193280242 /nfs/dbraw/zinc/28/02/42/193280242.db2.gz IXCKAJKJUPDDBP-NVXWUHKLSA-N 2 2 320.477 3.397 10 0 DGAELP Cc1n[nH]c(C)c1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000121803613 284206323 /nfs/dbraw/zinc/20/63/23/284206323.db2.gz JGTAYKWZANOWCL-IBGZPJMESA-N 2 2 312.461 3.171 10 0 DGAELP Cc1n[nH]c(C)c1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000121803613 284206324 /nfs/dbraw/zinc/20/63/24/284206324.db2.gz JGTAYKWZANOWCL-IBGZPJMESA-N 2 2 312.461 3.171 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458472 432134564 /nfs/dbraw/zinc/13/45/64/432134564.db2.gz YSTRKTFBCOPCEM-SWLSCSKDSA-N 2 2 324.490 3.005 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458472 432134565 /nfs/dbraw/zinc/13/45/65/432134565.db2.gz YSTRKTFBCOPCEM-SWLSCSKDSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458472 432134570 /nfs/dbraw/zinc/13/45/70/432134570.db2.gz YSTRKTFBCOPCEM-SWLSCSKDSA-N 2 2 324.490 3.005 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000246458472 432134572 /nfs/dbraw/zinc/13/45/72/432134572.db2.gz YSTRKTFBCOPCEM-SWLSCSKDSA-N 2 2 324.490 3.005 10 0 DGAELP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cs1 ZINC000136081379 432144868 /nfs/dbraw/zinc/14/48/68/432144868.db2.gz OHIHWANQUSNNTD-AWEZNQCLSA-N 2 2 304.463 3.302 10 0 DGAELP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cs1 ZINC000136081379 432144872 /nfs/dbraw/zinc/14/48/72/432144872.db2.gz OHIHWANQUSNNTD-AWEZNQCLSA-N 2 2 304.463 3.302 10 0 DGAELP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153166055 284659752 /nfs/dbraw/zinc/65/97/52/284659752.db2.gz MWDLPEFCCKIIPB-GDBMZVCRSA-N 2 2 316.445 3.360 10 0 DGAELP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1cc(Br)cs1 ZINC000042402393 183263968 /nfs/dbraw/zinc/26/39/68/183263968.db2.gz WRESJDYKRCNDLN-NSHDSACASA-N 2 2 305.285 3.316 10 0 DGAELP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Br)cs1 ZINC000042402393 183263969 /nfs/dbraw/zinc/26/39/69/183263969.db2.gz WRESJDYKRCNDLN-NSHDSACASA-N 2 2 305.285 3.316 10 0 DGAELP C[C@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1)C(C)(C)C ZINC000042742316 183304590 /nfs/dbraw/zinc/30/45/90/183304590.db2.gz VLXBCTCVQLRNJY-UWVGGRQHSA-N 2 2 303.244 3.408 10 0 DGAELP C[C@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1)C(C)(C)C ZINC000042742316 183304592 /nfs/dbraw/zinc/30/45/92/183304592.db2.gz VLXBCTCVQLRNJY-UWVGGRQHSA-N 2 2 303.244 3.408 10 0 DGAELP C[C@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863134 194149364 /nfs/dbraw/zinc/14/93/64/194149364.db2.gz QXIALFLQFCGJPR-QGZVFWFLSA-N 2 2 312.461 3.041 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863134 194149367 /nfs/dbraw/zinc/14/93/67/194149367.db2.gz QXIALFLQFCGJPR-QGZVFWFLSA-N 2 2 312.461 3.041 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000106216635 194191173 /nfs/dbraw/zinc/19/11/73/194191173.db2.gz QJKORUBDGOSXHD-OAHLLOKOSA-N 2 2 317.408 3.430 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000106216635 194191176 /nfs/dbraw/zinc/19/11/76/194191176.db2.gz QJKORUBDGOSXHD-OAHLLOKOSA-N 2 2 317.408 3.430 10 0 DGAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1sccc1Br ZINC000062803191 184253372 /nfs/dbraw/zinc/25/33/72/184253372.db2.gz MJTXHYTXGWWJHB-VIFPVBQESA-N 2 2 314.252 3.035 10 0 DGAELP Cc1c[nH+]ccc1NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000248657216 285014997 /nfs/dbraw/zinc/01/49/97/285014997.db2.gz FGBORRVSGOQFSX-GOEBONIOSA-N 2 2 317.458 3.325 10 0 DGAELP Cc1c[nH+]ccc1NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000248657216 285015001 /nfs/dbraw/zinc/01/50/01/285015001.db2.gz FGBORRVSGOQFSX-GOEBONIOSA-N 2 2 317.458 3.325 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000342822223 254059799 /nfs/dbraw/zinc/05/97/99/254059799.db2.gz KIPKKYHOSFGPDV-CVEARBPZSA-N 2 2 303.431 3.077 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000342822223 254059801 /nfs/dbraw/zinc/05/98/01/254059801.db2.gz KIPKKYHOSFGPDV-CVEARBPZSA-N 2 2 303.431 3.077 10 0 DGAELP C[C@@H]1CC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000343504066 254152639 /nfs/dbraw/zinc/15/26/39/254152639.db2.gz CWIGWFJFQGCXSQ-HLIPFELVSA-N 2 2 316.489 3.444 10 0 DGAELP C[C@@H]1CC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000343504066 254152640 /nfs/dbraw/zinc/15/26/40/254152640.db2.gz CWIGWFJFQGCXSQ-HLIPFELVSA-N 2 2 316.489 3.444 10 0 DGAELP C[N@@H+]1[C@@H](COCC2CC2)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096207206 257133505 /nfs/dbraw/zinc/13/35/05/257133505.db2.gz OSJSRMLZCUCWNL-QGZVFWFLSA-N 2 2 318.461 3.135 10 0 DGAELP C[N@H+]1[C@@H](COCC2CC2)CCC12CC[NH+](Cc1ccco1)CC2 ZINC000096207206 257133506 /nfs/dbraw/zinc/13/35/06/257133506.db2.gz OSJSRMLZCUCWNL-QGZVFWFLSA-N 2 2 318.461 3.135 10 0 DGAELP CCn1ccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338917 400942131 /nfs/dbraw/zinc/94/21/31/400942131.db2.gz NPJOMYKSTUBDLN-AEFFLSMTSA-N 2 2 312.461 3.046 10 0 DGAELP CCn1ccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080338917 400942133 /nfs/dbraw/zinc/94/21/33/400942133.db2.gz NPJOMYKSTUBDLN-AEFFLSMTSA-N 2 2 312.461 3.046 10 0 DGAELP c1cn(Cc2ccc(-c3cccc([C@H]4COCC[NH2+]4)c3)cc2)c[nH+]1 ZINC000629742796 401073384 /nfs/dbraw/zinc/07/33/84/401073384.db2.gz XTTKRBQUYDDXSI-HXUWFJFHSA-N 2 2 319.408 3.259 10 0 DGAELP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000608076349 401180242 /nfs/dbraw/zinc/18/02/42/401180242.db2.gz ZJYNEBLOOQTDIR-GOSISDBHSA-N 2 2 307.397 3.199 10 0 DGAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CC[C@@H]4C[C@@H]4C3)c12 ZINC000630385812 401255583 /nfs/dbraw/zinc/25/55/83/401255583.db2.gz OTBMWXLDBVYSLI-MCIONIFRSA-N 2 2 320.400 3.059 10 0 DGAELP c1ccc(N2CCC([NH2+]CC[C@@H]3CNc4ccccc43)CC2)[nH+]c1 ZINC000635024276 401406233 /nfs/dbraw/zinc/40/62/33/401406233.db2.gz VQWLOYVIYLQLEA-MRXNPFEDSA-N 2 2 322.456 3.239 10 0 DGAELP FC(F)(F)c1sccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631188025 401419960 /nfs/dbraw/zinc/41/99/60/401419960.db2.gz FMHSMSFWIYMEQA-UHFFFAOYSA-N 2 2 301.337 3.199 10 0 DGAELP c1cn(-c2ccc(C[NH2+]C[C@@H]3Cc4ccccc4CO3)cc2)c[nH+]1 ZINC000623601920 401554175 /nfs/dbraw/zinc/55/41/75/401554175.db2.gz VSQFKXHCROLNBR-FQEVSTJZSA-N 2 2 319.408 3.103 10 0 DGAELP c1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)C2)cc1 ZINC000623614453 401556353 /nfs/dbraw/zinc/55/63/53/401556353.db2.gz HDOSCAURKGUZOW-XLIONFOSSA-N 2 2 313.489 3.262 10 0 DGAELP c1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)C2)cc1 ZINC000623614453 401556356 /nfs/dbraw/zinc/55/63/56/401556356.db2.gz HDOSCAURKGUZOW-XLIONFOSSA-N 2 2 313.489 3.262 10 0 DGAELP c1ccc(NCCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000361888050 286739619 /nfs/dbraw/zinc/73/96/19/286739619.db2.gz IYQYQBUWKGJUQY-RCCFBDPRSA-N 2 2 317.477 3.459 10 0 DGAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCCc3ccccc3)CC2)CCO1 ZINC000186727346 165056283 /nfs/dbraw/zinc/05/62/83/165056283.db2.gz WCAAZXCKFBAJIE-SFHVURJKSA-N 2 2 316.489 3.194 10 0 DGAELP C[C@H]1C[N@H+](C2CC[NH+](CCCCc3ccccc3)CC2)CCO1 ZINC000186727346 165056286 /nfs/dbraw/zinc/05/62/86/165056286.db2.gz WCAAZXCKFBAJIE-SFHVURJKSA-N 2 2 316.489 3.194 10 0 DGAELP c1ccc(NCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[nH+]c1 ZINC000365074948 287094578 /nfs/dbraw/zinc/09/45/78/287094578.db2.gz XRCPGIGYCFGIRE-BRWVUGGUSA-N 2 2 303.450 3.069 10 0 DGAELP Cc1c[nH+]ccc1NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000192498859 165294771 /nfs/dbraw/zinc/29/47/71/165294771.db2.gz UAUJNHTYRDNPGF-HUUCEWRRSA-N 2 2 312.417 3.011 10 0 DGAELP c1cc2n(c1)CC[N@@H+](CCC[NH+]1CCCC1)[C@@H]2c1ccccc1 ZINC000193468061 165327430 /nfs/dbraw/zinc/32/74/30/165327430.db2.gz XKEIZIXCUAUSES-HXUWFJFHSA-N 2 2 309.457 3.379 10 0 DGAELP c1cc2n(c1)CC[N@H+](CCC[NH+]1CCCC1)[C@@H]2c1ccccc1 ZINC000193468061 165327433 /nfs/dbraw/zinc/32/74/33/165327433.db2.gz XKEIZIXCUAUSES-HXUWFJFHSA-N 2 2 309.457 3.379 10 0 DGAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190465207 432160330 /nfs/dbraw/zinc/16/03/30/432160330.db2.gz XALOBPGXSGOSKC-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC000190465207 432160334 /nfs/dbraw/zinc/16/03/34/432160334.db2.gz XALOBPGXSGOSKC-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000190465207 432160339 /nfs/dbraw/zinc/16/03/39/432160339.db2.gz XALOBPGXSGOSKC-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000190465207 432160344 /nfs/dbraw/zinc/16/03/44/432160344.db2.gz XALOBPGXSGOSKC-AWEZNQCLSA-N 2 2 321.515 3.467 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000246850878 432171970 /nfs/dbraw/zinc/17/19/70/432171970.db2.gz QOQMPRHOQOXPNB-ZBFHGGJFSA-N 2 2 320.799 3.435 10 0 DGAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc[nH+]1 ZINC000246850878 432171973 /nfs/dbraw/zinc/17/19/73/432171973.db2.gz QOQMPRHOQOXPNB-ZBFHGGJFSA-N 2 2 320.799 3.435 10 0 DGAELP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000246876594 432175898 /nfs/dbraw/zinc/17/58/98/432175898.db2.gz CLFYHLDLMGRYPE-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OCC ZINC000246876594 432175901 /nfs/dbraw/zinc/17/59/01/432175901.db2.gz CLFYHLDLMGRYPE-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000246876594 432175905 /nfs/dbraw/zinc/17/59/05/432175905.db2.gz CLFYHLDLMGRYPE-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000246876594 432175907 /nfs/dbraw/zinc/17/59/07/432175907.db2.gz CLFYHLDLMGRYPE-DOTOQJQBSA-N 2 2 320.477 3.399 10 0 DGAELP Clc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246982444 432187160 /nfs/dbraw/zinc/18/71/60/432187160.db2.gz VXWYAGXRWJHHPA-BBRMVZONSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246982444 432187164 /nfs/dbraw/zinc/18/71/64/432187164.db2.gz VXWYAGXRWJHHPA-BBRMVZONSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246982444 432187168 /nfs/dbraw/zinc/18/71/68/432187168.db2.gz VXWYAGXRWJHHPA-BBRMVZONSA-N 2 2 305.853 3.184 10 0 DGAELP Clc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246982444 432187170 /nfs/dbraw/zinc/18/71/70/432187170.db2.gz VXWYAGXRWJHHPA-BBRMVZONSA-N 2 2 305.853 3.184 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000182443496 432190491 /nfs/dbraw/zinc/19/04/91/432190491.db2.gz KPTYYCGOVXAHKY-IBGZPJMESA-N 2 2 313.445 3.263 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000182443496 432190494 /nfs/dbraw/zinc/19/04/94/432190494.db2.gz KPTYYCGOVXAHKY-IBGZPJMESA-N 2 2 313.445 3.263 10 0 DGAELP COc1ccc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182743772 432223897 /nfs/dbraw/zinc/22/38/97/432223897.db2.gz JCBRVZDAMAUCMC-UHFFFAOYSA-N 2 2 313.445 3.237 10 0 DGAELP Cc1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc(C)[nH+]1 ZINC000302679043 230348296 /nfs/dbraw/zinc/34/82/96/230348296.db2.gz RDBQERYLEQVURX-UHFFFAOYSA-N 2 2 316.836 3.217 10 0 DGAELP Cc1cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc(C)[nH+]1 ZINC000302679043 230348300 /nfs/dbraw/zinc/34/83/00/230348300.db2.gz RDBQERYLEQVURX-UHFFFAOYSA-N 2 2 316.836 3.217 10 0 DGAELP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000347331282 264198304 /nfs/dbraw/zinc/19/83/04/264198304.db2.gz GKKSHTZUHSJROY-FPAYPSAMSA-N 2 2 302.462 3.054 10 0 DGAELP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000347331282 264198306 /nfs/dbraw/zinc/19/83/06/264198306.db2.gz GKKSHTZUHSJROY-FPAYPSAMSA-N 2 2 302.462 3.054 10 0 DGAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244095 266014688 /nfs/dbraw/zinc/01/46/88/266014688.db2.gz XWIMOGFRDOOXDQ-MSOLQXFVSA-N 2 2 311.429 3.121 10 0 DGAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)c[nH+]1 ZINC000355244095 266014691 /nfs/dbraw/zinc/01/46/91/266014691.db2.gz XWIMOGFRDOOXDQ-MSOLQXFVSA-N 2 2 311.429 3.121 10 0 DGAELP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151473673 432249131 /nfs/dbraw/zinc/24/91/31/432249131.db2.gz FJSPKYXOWYKOFB-QGZVFWFLSA-N 2 2 308.360 3.184 10 0 DGAELP COc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000151500975 432252823 /nfs/dbraw/zinc/25/28/23/432252823.db2.gz JOAPEEQBDLHHAD-CQSZACIVSA-N 2 2 308.385 3.127 10 0 DGAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921310 432253629 /nfs/dbraw/zinc/25/36/29/432253629.db2.gz BFDIFFACZPQNJJ-GPMSIDNRSA-N 2 2 301.478 3.460 10 0 DGAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000247921310 432253634 /nfs/dbraw/zinc/25/36/34/432253634.db2.gz BFDIFFACZPQNJJ-GPMSIDNRSA-N 2 2 301.478 3.460 10 0 DGAELP CSCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247965417 432256641 /nfs/dbraw/zinc/25/66/41/432256641.db2.gz GSQRPLCSKRMXHD-DOTOQJQBSA-N 2 2 307.507 3.025 10 0 DGAELP CSCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247965417 432256645 /nfs/dbraw/zinc/25/66/45/432256645.db2.gz GSQRPLCSKRMXHD-DOTOQJQBSA-N 2 2 307.507 3.025 10 0 DGAELP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000182059760 277083804 /nfs/dbraw/zinc/08/38/04/277083804.db2.gz IQJYXQYKZRDQFB-KBXCAEBGSA-N 2 2 305.466 3.272 10 0 DGAELP Cc1cccc(N2CCC(Nc3cc[nH+]c(C(C)C)n3)CC2)[nH+]1 ZINC000116873300 431536236 /nfs/dbraw/zinc/53/62/36/431536236.db2.gz MENQGCYLVIRYPJ-UHFFFAOYSA-N 2 2 311.433 3.384 10 0 DGAELP C[C@H]1c2cccc(Br)c2CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261825141 280124473 /nfs/dbraw/zinc/12/44/73/280124473.db2.gz IPHHCXBFATXVCP-QWHCGFSZSA-N 2 2 323.278 3.368 10 0 DGAELP C[C@H]1c2cccc(Br)c2CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261825141 280124477 /nfs/dbraw/zinc/12/44/77/280124477.db2.gz IPHHCXBFATXVCP-QWHCGFSZSA-N 2 2 323.278 3.368 10 0 DGAELP CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077455863 431596797 /nfs/dbraw/zinc/59/67/97/431596797.db2.gz NAXXAYCTIWHYMR-SFHVURJKSA-N 2 2 301.434 3.149 10 0 DGAELP CC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000028711013 431708405 /nfs/dbraw/zinc/70/84/05/431708405.db2.gz QZKITPPOOBAOOW-FQEVSTJZSA-N 2 2 312.457 3.001 10 0 DGAELP CC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000028711013 431708409 /nfs/dbraw/zinc/70/84/09/431708409.db2.gz QZKITPPOOBAOOW-FQEVSTJZSA-N 2 2 312.457 3.001 10 0 DGAELP CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000028711013 431708413 /nfs/dbraw/zinc/70/84/13/431708413.db2.gz QZKITPPOOBAOOW-FQEVSTJZSA-N 2 2 312.457 3.001 10 0 DGAELP CC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000028711013 431708414 /nfs/dbraw/zinc/70/84/14/431708414.db2.gz QZKITPPOOBAOOW-FQEVSTJZSA-N 2 2 312.457 3.001 10 0 DGAELP CCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969145 431714228 /nfs/dbraw/zinc/71/42/28/431714228.db2.gz HEZANFBTPVIVKQ-UHFFFAOYSA-N 2 2 311.429 3.239 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095382 431782491 /nfs/dbraw/zinc/78/24/91/431782491.db2.gz DGNHZVJTDIORNS-UKRRQHHQSA-N 2 2 303.475 3.458 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095382 431782498 /nfs/dbraw/zinc/78/24/98/431782498.db2.gz DGNHZVJTDIORNS-UKRRQHHQSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095382 431782503 /nfs/dbraw/zinc/78/25/03/431782503.db2.gz DGNHZVJTDIORNS-UKRRQHHQSA-N 2 2 303.475 3.458 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095382 431782512 /nfs/dbraw/zinc/78/25/12/431782512.db2.gz DGNHZVJTDIORNS-UKRRQHHQSA-N 2 2 303.475 3.458 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000122982145 431851057 /nfs/dbraw/zinc/85/10/57/431851057.db2.gz NIKHCQNVTIJGKT-YJBOKZPZSA-N 2 2 315.486 3.186 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000122982145 431851059 /nfs/dbraw/zinc/85/10/59/431851059.db2.gz NIKHCQNVTIJGKT-YJBOKZPZSA-N 2 2 315.486 3.186 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123029073 431852617 /nfs/dbraw/zinc/85/26/17/431852617.db2.gz WUVGIYAWCOVDOL-HZPDHXFCSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123029073 431852619 /nfs/dbraw/zinc/85/26/19/431852619.db2.gz WUVGIYAWCOVDOL-HZPDHXFCSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123029073 431852620 /nfs/dbraw/zinc/85/26/20/431852620.db2.gz WUVGIYAWCOVDOL-HZPDHXFCSA-N 2 2 317.477 3.163 10 0 DGAELP CC(C)c1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123029073 431852622 /nfs/dbraw/zinc/85/26/22/431852622.db2.gz WUVGIYAWCOVDOL-HZPDHXFCSA-N 2 2 317.477 3.163 10 0 DGAELP c1ccc2sc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000038090500 431855171 /nfs/dbraw/zinc/85/51/71/431855171.db2.gz RXKXEWIJZBKTGO-KBPBESRZSA-N 2 2 301.459 3.260 10 0 DGAELP c1ccc2sc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc2c1 ZINC000038090500 431855172 /nfs/dbraw/zinc/85/51/72/431855172.db2.gz RXKXEWIJZBKTGO-KBPBESRZSA-N 2 2 301.459 3.260 10 0 DGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000128280181 431991356 /nfs/dbraw/zinc/99/13/56/431991356.db2.gz FWOVPWYJIFXLQM-HNNXBMFYSA-N 2 2 321.428 3.200 10 0 DGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1F ZINC000183220669 432270564 /nfs/dbraw/zinc/27/05/64/432270564.db2.gz WXZYEBQEQWWIAY-GFCCVEGCSA-N 2 2 314.339 3.396 10 0 DGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000173315289 432272407 /nfs/dbraw/zinc/27/24/07/432272407.db2.gz MNKVUQXWYSCPFD-LBPRGKRZSA-N 2 2 314.339 3.396 10 0 DGAELP Fc1ccc2oc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000151626325 432261211 /nfs/dbraw/zinc/26/12/11/432261211.db2.gz SFCZXRJYVCDIIT-HNNXBMFYSA-N 2 2 317.408 3.417 10 0 DGAELP Fc1ccc2oc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000151626325 432261212 /nfs/dbraw/zinc/26/12/12/432261212.db2.gz SFCZXRJYVCDIIT-HNNXBMFYSA-N 2 2 317.408 3.417 10 0 DGAELP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000173229393 432265654 /nfs/dbraw/zinc/26/56/54/432265654.db2.gz HDMZEEQNNAVOBD-LJQANCHMSA-N 2 2 323.440 3.336 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248907671 432330058 /nfs/dbraw/zinc/33/00/58/432330058.db2.gz MEGMJUCBCOBXBB-IAGOWNOFSA-N 2 2 305.466 3.024 10 0 DGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000248907671 432330061 /nfs/dbraw/zinc/33/00/61/432330061.db2.gz MEGMJUCBCOBXBB-IAGOWNOFSA-N 2 2 305.466 3.024 10 0 DGAELP Fc1ccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000152102619 432304523 /nfs/dbraw/zinc/30/45/23/432304523.db2.gz FWYZEEFLAXQKTB-HNNXBMFYSA-N 2 2 317.383 3.336 10 0 DGAELP Fc1ccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1F ZINC000152102619 432304525 /nfs/dbraw/zinc/30/45/25/432304525.db2.gz FWYZEEFLAXQKTB-HNNXBMFYSA-N 2 2 317.383 3.336 10 0 DGAELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923333 432308118 /nfs/dbraw/zinc/30/81/18/432308118.db2.gz KNRSBFFRYFAXLQ-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923333 432308126 /nfs/dbraw/zinc/30/81/26/432308126.db2.gz KNRSBFFRYFAXLQ-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923333 432308133 /nfs/dbraw/zinc/30/81/33/432308133.db2.gz KNRSBFFRYFAXLQ-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000173923333 432308138 /nfs/dbraw/zinc/30/81/38/432308138.db2.gz KNRSBFFRYFAXLQ-CQSZACIVSA-N 2 2 317.408 3.254 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000152965761 432372358 /nfs/dbraw/zinc/37/23/58/432372358.db2.gz SGUBLHMPSXVMQG-UHOSZYNNSA-N 2 2 302.462 3.056 10 0 DGAELP C[C@H]([NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000152965761 432372361 /nfs/dbraw/zinc/37/23/61/432372361.db2.gz SGUBLHMPSXVMQG-UHOSZYNNSA-N 2 2 302.462 3.056 10 0 DGAELP Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000174921124 432380271 /nfs/dbraw/zinc/38/02/71/432380271.db2.gz GXSJHEJAJMYJJL-CVEARBPZSA-N 2 2 311.433 3.132 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000249778985 432358308 /nfs/dbraw/zinc/35/83/08/432358308.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000249778985 432358312 /nfs/dbraw/zinc/35/83/12/432358312.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778985 432358316 /nfs/dbraw/zinc/35/83/16/432358316.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 3 2 315.505 3.113 10 0 DGAELP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778985 432358318 /nfs/dbraw/zinc/35/83/18/432358318.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 3 2 315.505 3.113 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)[C@H](C)CO2)c1 ZINC000261753597 432446427 /nfs/dbraw/zinc/44/64/27/432446427.db2.gz CJBJBSZWVLJMOZ-LMMKCTJWSA-N 2 2 302.462 3.065 10 0 DGAELP Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)[C@H](C)CO2)c1 ZINC000261753597 432446431 /nfs/dbraw/zinc/44/64/31/432446431.db2.gz CJBJBSZWVLJMOZ-LMMKCTJWSA-N 2 2 302.462 3.065 10 0 DGAELP C[N@H+](Cc1coc(-c2cccc(F)c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261842243 432454652 /nfs/dbraw/zinc/45/46/52/432454652.db2.gz YUZUJZVTERNGLE-FKEKPDDDSA-N 2 2 315.392 3.196 10 0 DGAELP C[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261842243 432454654 /nfs/dbraw/zinc/45/46/54/432454654.db2.gz YUZUJZVTERNGLE-FKEKPDDDSA-N 2 2 315.392 3.196 10 0 DGAELP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1C ZINC000193854966 432504732 /nfs/dbraw/zinc/50/47/32/432504732.db2.gz SPPZQJGFBIKPRH-KRWDZBQOSA-N 2 2 311.429 3.333 10 0 DGAELP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1C ZINC000193854966 432504735 /nfs/dbraw/zinc/50/47/35/432504735.db2.gz SPPZQJGFBIKPRH-KRWDZBQOSA-N 2 2 311.429 3.333 10 0 DGAELP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000261948548 432463282 /nfs/dbraw/zinc/46/32/82/432463282.db2.gz NOOGQCOMNQDGLX-UHFFFAOYSA-N 2 2 323.440 3.401 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545223 432606258 /nfs/dbraw/zinc/60/62/58/432606258.db2.gz QTHROPXOQYOHKN-RDJZCZTQSA-N 2 2 311.473 3.244 10 0 DGAELP Cc1ccc2c(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cn(C)c2c1 ZINC000186545223 432606260 /nfs/dbraw/zinc/60/62/60/432606260.db2.gz QTHROPXOQYOHKN-RDJZCZTQSA-N 2 2 311.473 3.244 10 0 DGAELP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000178124664 432697062 /nfs/dbraw/zinc/69/70/62/432697062.db2.gz RFWJRXLYLXLPSC-UONOGXRCSA-N 2 2 309.417 3.326 10 0 DGAELP COc1cccc(CCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178294437 432717040 /nfs/dbraw/zinc/71/70/40/432717040.db2.gz QKMVWKIINQZAKU-SFHVURJKSA-N 2 2 313.445 3.297 10 0 DGAELP COc1cccc(CCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178294437 432717045 /nfs/dbraw/zinc/71/70/45/432717045.db2.gz QKMVWKIINQZAKU-SFHVURJKSA-N 2 2 313.445 3.297 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000178298349 432717384 /nfs/dbraw/zinc/71/73/84/432717384.db2.gz KMIRNZPRDULDIO-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000178298349 432717391 /nfs/dbraw/zinc/71/73/91/432717391.db2.gz KMIRNZPRDULDIO-IBGZPJMESA-N 2 2 321.428 3.042 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000178313593 432720997 /nfs/dbraw/zinc/72/09/97/432720997.db2.gz IIZZCOZYYJRTDJ-OAHLLOKOSA-N 2 2 312.373 3.104 10 0 DGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000178313593 432721001 /nfs/dbraw/zinc/72/10/01/432721001.db2.gz IIZZCOZYYJRTDJ-OAHLLOKOSA-N 2 2 312.373 3.104 10 0 DGAELP COC[C@@H](C)C[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000187615494 432672127 /nfs/dbraw/zinc/67/21/27/432672127.db2.gz CXDHIECCVCYEGH-JKSUJKDBSA-N 2 2 310.507 3.393 10 0 DGAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000234308666 432740274 /nfs/dbraw/zinc/74/02/74/432740274.db2.gz KPFIXHSAEZWPNZ-BCLQGDPASA-N 2 2 323.278 3.379 10 0 DGAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000234308666 432740276 /nfs/dbraw/zinc/74/02/76/432740276.db2.gz KPFIXHSAEZWPNZ-BCLQGDPASA-N 2 2 323.278 3.379 10 0 DGAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245523498 432839431 /nfs/dbraw/zinc/83/94/31/432839431.db2.gz DGCNJAHQSZEAFW-IEBWSBKVSA-N 2 2 302.462 3.090 10 0 DGAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245523498 432839435 /nfs/dbraw/zinc/83/94/35/432839435.db2.gz DGCNJAHQSZEAFW-IEBWSBKVSA-N 2 2 302.462 3.090 10 0 DGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444810 432832170 /nfs/dbraw/zinc/83/21/70/432832170.db2.gz YIYQYTMLGWURAW-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444810 432832173 /nfs/dbraw/zinc/83/21/73/432832173.db2.gz YIYQYTMLGWURAW-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444810 432832177 /nfs/dbraw/zinc/83/21/77/432832177.db2.gz YIYQYTMLGWURAW-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245444810 432832178 /nfs/dbraw/zinc/83/21/78/432832178.db2.gz YIYQYTMLGWURAW-QFBILLFUSA-N 2 2 312.461 3.034 10 0 DGAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc2)cc1 ZINC000245875480 432867200 /nfs/dbraw/zinc/86/72/00/432867200.db2.gz AMYNAQYMQFQGKI-AZUAARDMSA-N 2 2 310.441 3.468 10 0 DGAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc2)cc1 ZINC000245875480 432867203 /nfs/dbraw/zinc/86/72/03/432867203.db2.gz AMYNAQYMQFQGKI-AZUAARDMSA-N 2 2 310.441 3.468 10 0 DGAELP C[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245687127 432856068 /nfs/dbraw/zinc/85/60/68/432856068.db2.gz AJDLLUFYAYMYPJ-XHDPSFHLSA-N 2 2 309.335 3.384 10 0 DGAELP C[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000245687127 432856069 /nfs/dbraw/zinc/85/60/69/432856069.db2.gz AJDLLUFYAYMYPJ-XHDPSFHLSA-N 2 2 309.335 3.384 10 0 DGAELP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000279849499 432996064 /nfs/dbraw/zinc/99/60/64/432996064.db2.gz OXHSMRSGHDYYKM-GOSISDBHSA-N 2 2 324.472 3.180 10 0 DGAELP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n(-c2ccccc2)n1 ZINC000279849499 432996067 /nfs/dbraw/zinc/99/60/67/432996067.db2.gz OXHSMRSGHDYYKM-GOSISDBHSA-N 2 2 324.472 3.180 10 0 DGAELP c1cn(-c2csc(C[NH2+]CCc3ccc4c[nH]nc4c3)c2)c[nH+]1 ZINC000341406288 433049315 /nfs/dbraw/zinc/04/93/15/433049315.db2.gz NZJXUHFGJNBZTQ-UHFFFAOYSA-N 2 2 323.425 3.142 10 0 DGAELP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333272825 433046541 /nfs/dbraw/zinc/04/65/41/433046541.db2.gz GIZBOMGSLWXZDF-HOTGVXAUSA-N 2 2 316.449 3.084 10 0 DGAELP CC1(C)CC[C@@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000336704834 433182226 /nfs/dbraw/zinc/18/22/26/433182226.db2.gz HKYJFJQSRCPKMU-ROUUACIJSA-N 2 2 302.462 3.198 10 0 DGAELP CC1(C)CC[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)O1 ZINC000336704834 433182236 /nfs/dbraw/zinc/18/22/36/433182236.db2.gz HKYJFJQSRCPKMU-ROUUACIJSA-N 2 2 302.462 3.198 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731153 433626004 /nfs/dbraw/zinc/62/60/04/433626004.db2.gz MGFQXEZVBOCIRX-WBVHZDCISA-N 2 2 301.434 3.092 10 0 DGAELP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC=CO3)C2)n2c1CCCC2 ZINC000282731153 433626014 /nfs/dbraw/zinc/62/60/14/433626014.db2.gz MGFQXEZVBOCIRX-WBVHZDCISA-N 2 2 301.434 3.092 10 0 DGAELP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)[nH+]1 ZINC000366903683 293002529 /nfs/dbraw/zinc/00/25/29/293002529.db2.gz OCRKYHHCIXWZAY-OAHLLOKOSA-N 2 2 312.417 3.332 10 0 DGAELP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)[nH+]1 ZINC000366903683 293002531 /nfs/dbraw/zinc/00/25/31/293002531.db2.gz OCRKYHHCIXWZAY-OAHLLOKOSA-N 2 2 312.417 3.332 10 0 DGAELP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ncc(C3CC3)o2)[nH+]1 ZINC000366903682 293002932 /nfs/dbraw/zinc/00/29/32/293002932.db2.gz OCRKYHHCIXWZAY-HNNXBMFYSA-N 2 2 312.417 3.332 10 0 DGAELP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ncc(C3CC3)o2)[nH+]1 ZINC000366903682 293002934 /nfs/dbraw/zinc/00/29/34/293002934.db2.gz OCRKYHHCIXWZAY-HNNXBMFYSA-N 2 2 312.417 3.332 10 0 DGAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436260952 433919772 /nfs/dbraw/zinc/91/97/72/433919772.db2.gz AMXJCQJVHWLZRI-VAMGGRTRSA-N 2 2 316.489 3.269 10 0 DGAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436260952 433919782 /nfs/dbraw/zinc/91/97/82/433919782.db2.gz AMXJCQJVHWLZRI-VAMGGRTRSA-N 2 2 316.489 3.269 10 0 DGAELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000414952702 433936873 /nfs/dbraw/zinc/93/68/73/433936873.db2.gz IRDYJQAJBRXDSJ-NOZJJQNGSA-N 2 2 317.658 3.190 10 0 DGAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cccc(-c3ccccn3)c1)C2 ZINC000377781275 433994577 /nfs/dbraw/zinc/99/45/77/433994577.db2.gz OZQVKPLLPQFFHS-INIZCTEOSA-N 2 2 304.397 3.119 10 0 DGAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1cccc(-c3ccccn3)c1)CC2 ZINC000377781275 433994589 /nfs/dbraw/zinc/99/45/89/433994589.db2.gz OZQVKPLLPQFFHS-INIZCTEOSA-N 2 2 304.397 3.119 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000340355096 434082407 /nfs/dbraw/zinc/08/24/07/434082407.db2.gz FHTXFPIMYOJJNV-VQIMIIECSA-N 2 2 304.478 3.444 10 0 DGAELP COC(C)(C)[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000340355096 434082416 /nfs/dbraw/zinc/08/24/16/434082416.db2.gz FHTXFPIMYOJJNV-VQIMIIECSA-N 2 2 304.478 3.444 10 0 DGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000313265470 434125495 /nfs/dbraw/zinc/12/54/95/434125495.db2.gz PAUKBQZMTBIPIU-OAHLLOKOSA-N 2 2 320.234 3.002 10 0 DGAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000511031251 294399433 /nfs/dbraw/zinc/39/94/33/294399433.db2.gz PMSQXGPDRFNJED-NSISKUIASA-N 2 2 316.489 3.353 10 0 DGAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000511031251 294399436 /nfs/dbraw/zinc/39/94/36/294399436.db2.gz PMSQXGPDRFNJED-NSISKUIASA-N 2 2 316.489 3.353 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000379198404 434252666 /nfs/dbraw/zinc/25/26/66/434252666.db2.gz XLWNHKSPVQFTTF-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000379198404 434252675 /nfs/dbraw/zinc/25/26/75/434252675.db2.gz XLWNHKSPVQFTTF-UHOSZYNNSA-N 2 2 302.462 3.198 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000393910635 434400429 /nfs/dbraw/zinc/40/04/29/434400429.db2.gz BKBLWIQBYWDXGK-JFRXWTBNSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000393910635 434400440 /nfs/dbraw/zinc/40/04/40/434400440.db2.gz BKBLWIQBYWDXGK-JFRXWTBNSA-N 2 2 302.462 3.197 10 0 DGAELP C[C@@]1(C[NH2+]CC[C@@H]2CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000400602635 434492420 /nfs/dbraw/zinc/49/24/20/434492420.db2.gz DPUCHMQHCHZYBN-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@@]1(C[NH2+]CC[C@@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000400602635 434492426 /nfs/dbraw/zinc/49/24/26/434492426.db2.gz DPUCHMQHCHZYBN-MOPGFXCFSA-N 2 2 302.462 3.057 10 0 DGAELP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000527804505 295133329 /nfs/dbraw/zinc/13/33/29/295133329.db2.gz QKAXMAQGIPNGPA-GYYKNPCSSA-N 2 2 302.462 3.051 10 0 DGAELP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000527804505 295133331 /nfs/dbraw/zinc/13/33/31/295133331.db2.gz QKAXMAQGIPNGPA-GYYKNPCSSA-N 2 2 302.462 3.051 10 0 DGAELP CCc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(C)[nH+]1 ZINC000553366471 434889101 /nfs/dbraw/zinc/88/91/01/434889101.db2.gz QUIZIWYGOIERQZ-KRWDZBQOSA-N 2 2 316.493 3.440 10 0 DGAELP C=Cn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000573068876 434870877 /nfs/dbraw/zinc/87/08/77/434870877.db2.gz HMYGNMYDQSVJPN-LJQANCHMSA-N 2 2 321.428 3.328 10 0 DGAELP CCc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000531722443 435112472 /nfs/dbraw/zinc/11/24/72/435112472.db2.gz BJLQHUJRUKHHJC-DNVCBOLYSA-N 2 2 313.445 3.237 10 0 DGAELP CCc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000531722443 435112475 /nfs/dbraw/zinc/11/24/75/435112475.db2.gz BJLQHUJRUKHHJC-DNVCBOLYSA-N 2 2 313.445 3.237 10 0 DGAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729016 435140074 /nfs/dbraw/zinc/14/00/74/435140074.db2.gz PWMDUYPNNJKSRU-UXHICEINSA-N 3 2 321.553 3.449 10 0 DGAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729016 435140076 /nfs/dbraw/zinc/14/00/76/435140076.db2.gz PWMDUYPNNJKSRU-UXHICEINSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729016 435140079 /nfs/dbraw/zinc/14/00/79/435140079.db2.gz PWMDUYPNNJKSRU-UXHICEINSA-N 3 2 321.553 3.449 10 0 DGAELP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729016 435140083 /nfs/dbraw/zinc/14/00/83/435140083.db2.gz PWMDUYPNNJKSRU-UXHICEINSA-N 3 2 321.553 3.449 10 0 DGAELP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000513499063 435392081 /nfs/dbraw/zinc/39/20/81/435392081.db2.gz DHGXFVOMCLFYQE-QINSGFPZSA-N 2 2 322.880 3.444 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000515383891 435480862 /nfs/dbraw/zinc/48/08/62/435480862.db2.gz XJMSOYFBSMREOK-DLBZAZTESA-N 2 2 316.474 3.040 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cn1 ZINC000515383891 435480866 /nfs/dbraw/zinc/48/08/66/435480866.db2.gz XJMSOYFBSMREOK-DLBZAZTESA-N 2 2 316.474 3.040 10 0 DGAELP c1cn(-c2csc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000515383892 435481775 /nfs/dbraw/zinc/48/17/75/435481775.db2.gz XJMSOYFBSMREOK-IAGOWNOFSA-N 2 2 316.474 3.040 10 0 DGAELP c1cn(-c2csc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)c2)cn1 ZINC000515383892 435481783 /nfs/dbraw/zinc/48/17/83/435481783.db2.gz XJMSOYFBSMREOK-IAGOWNOFSA-N 2 2 316.474 3.040 10 0 DGAELP Cc1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)c2c([nH+]1)CCCC2 ZINC000302067072 302648058 /nfs/dbraw/zinc/64/80/58/302648058.db2.gz WMXHEQSUIYGSPC-INIZCTEOSA-N 2 2 314.477 3.119 10 0 DGAELP Brc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000377205652 313028968 /nfs/dbraw/zinc/02/89/68/313028968.db2.gz BRGDCCWIODMPHQ-UHFFFAOYSA-N 2 2 310.195 3.145 10 0 DGAELP c1cc(CCC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc2c1OCC2 ZINC000529669326 313251160 /nfs/dbraw/zinc/25/11/60/313251160.db2.gz LRWZAORZLISPLW-IBGZPJMESA-N 2 2 314.473 3.161 10 0 DGAELP c1cc(CCC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc2c1OCC2 ZINC000529669326 313251162 /nfs/dbraw/zinc/25/11/62/313251162.db2.gz LRWZAORZLISPLW-IBGZPJMESA-N 2 2 314.473 3.161 10 0 DGAELP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214937 313340479 /nfs/dbraw/zinc/34/04/79/313340479.db2.gz DYHLWTLSQQNUIC-IEBWSBKVSA-N 2 2 322.456 3.124 10 0 DGAELP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530224172 313342861 /nfs/dbraw/zinc/34/28/61/313342861.db2.gz VAKSGMZXMCNJTQ-GJZGRUSLSA-N 2 2 321.262 3.311 10 0 DGAELP c1c[nH+]c(C2CC[NH+](CCN3CCCc4ccccc43)CC2)[nH]1 ZINC000536377736 313758184 /nfs/dbraw/zinc/75/81/84/313758184.db2.gz GFZXZUHSDXXZCD-UHFFFAOYSA-N 2 2 310.445 3.042 10 0 DGAELP CC1=CC[N@H+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000547271372 314352102 /nfs/dbraw/zinc/35/21/02/314352102.db2.gz GKJWEVDBLBROLC-UHFFFAOYSA-N 2 2 322.493 3.129 10 0 DGAELP CC1=CC[N@@H+](CC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000547271372 314352105 /nfs/dbraw/zinc/35/21/05/314352105.db2.gz GKJWEVDBLBROLC-UHFFFAOYSA-N 2 2 322.493 3.129 10 0 DGAELP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000547276558 314352394 /nfs/dbraw/zinc/35/23/94/314352394.db2.gz GHPXEHBZGLFVSR-QGZVFWFLSA-N 2 2 302.462 3.258 10 0 DGAELP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000547276558 314352396 /nfs/dbraw/zinc/35/23/96/314352396.db2.gz GHPXEHBZGLFVSR-QGZVFWFLSA-N 2 2 302.462 3.258 10 0 DGAELP c1ccc(OCCCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562836893 315056435 /nfs/dbraw/zinc/05/64/35/315056435.db2.gz BODIDVWJEKDGIF-OALUTQOASA-N 2 2 302.462 3.452 10 0 DGAELP c1ccc(OCCCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562836893 315056438 /nfs/dbraw/zinc/05/64/38/315056438.db2.gz BODIDVWJEKDGIF-OALUTQOASA-N 2 2 302.462 3.452 10 0 DGAELP C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000180125785 323222194 /nfs/dbraw/zinc/22/21/94/323222194.db2.gz JMYPQRCKYAYGPV-KBXCAEBGSA-N 2 2 322.880 3.349 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000180424564 323229111 /nfs/dbraw/zinc/22/91/11/323229111.db2.gz HDLXIQXGOPXOAA-MAUKXSAKSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000180424564 323229112 /nfs/dbraw/zinc/22/91/12/323229112.db2.gz HDLXIQXGOPXOAA-MAUKXSAKSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424564 323229115 /nfs/dbraw/zinc/22/91/15/323229115.db2.gz HDLXIQXGOPXOAA-MAUKXSAKSA-N 2 2 312.461 3.002 10 0 DGAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccccc2)CC[NH+]1C ZINC000180424564 323229116 /nfs/dbraw/zinc/22/91/16/323229116.db2.gz HDLXIQXGOPXOAA-MAUKXSAKSA-N 2 2 312.461 3.002 10 0 DGAELP CCc1cc(NCC2CC[NH2+]CC2)nc(Nc2ccccc2)[nH+]1 ZINC000045947941 523822042 /nfs/dbraw/zinc/82/20/42/523822042.db2.gz OYTRNRACVLNOKC-UHFFFAOYSA-N 2 2 311.433 3.194 10 0 DGAELP CCc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070455992 523822205 /nfs/dbraw/zinc/82/22/05/523822205.db2.gz ZDXPNHNPELQWIY-UHFFFAOYSA-N 2 2 314.408 3.257 10 0 DGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000188413937 546205387 /nfs/dbraw/zinc/20/53/87/546205387.db2.gz SBRYCEWRYCYRLC-CQSZACIVSA-N 2 2 305.809 3.210 10 0 DGAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000188413937 546205391 /nfs/dbraw/zinc/20/53/91/546205391.db2.gz SBRYCEWRYCYRLC-CQSZACIVSA-N 2 2 305.809 3.210 10 0 DGAELP Brc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250089064 546328112 /nfs/dbraw/zinc/32/81/12/546328112.db2.gz WBHQONHIBCSBPY-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP Brc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000250089064 546328117 /nfs/dbraw/zinc/32/81/17/546328117.db2.gz WBHQONHIBCSBPY-GDBMZVCRSA-N 2 2 323.278 3.413 10 0 DGAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795160 660963326 /nfs/dbraw/zinc/96/33/26/660963326.db2.gz NPKYDCWSBWYART-WMZOPIPTSA-N 2 2 324.472 3.076 10 0 DGAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nccn1C1CC1 ZINC000711795160 660963330 /nfs/dbraw/zinc/96/33/30/660963330.db2.gz NPKYDCWSBWYART-WMZOPIPTSA-N 2 2 324.472 3.076 10 0 DGAELP c1[nH]nc2c1[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000353454279 659983949 /nfs/dbraw/zinc/98/39/49/659983949.db2.gz JMGJLBXHWPLSPP-SFHVURJKSA-N 2 2 310.445 3.041 10 0 DGAELP C[N@H+](CCC[NH2+]C1CC1)Cc1cc(Br)cs1 ZINC000042400297 661840229 /nfs/dbraw/zinc/84/02/29/661840229.db2.gz MDCWSTAZQNTLKC-UHFFFAOYSA-N 2 2 303.269 3.085 10 0 DGAELP C[N@@H+](CCC[NH2+]C1CC1)Cc1cc(Br)cs1 ZINC000042400297 661840231 /nfs/dbraw/zinc/84/02/31/661840231.db2.gz MDCWSTAZQNTLKC-UHFFFAOYSA-N 2 2 303.269 3.085 10 0 DGAELP C[C@@]1(C[NH2+]Cc2ccc(F)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000189390776 661977232 /nfs/dbraw/zinc/97/72/32/661977232.db2.gz YTIRCLCRASIPIU-IBGZPJMESA-N 2 2 313.420 3.365 10 0 DGAELP C[C@@]1(C[NH2+]Cc2ccc(F)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000189390776 661977234 /nfs/dbraw/zinc/97/72/34/661977234.db2.gz YTIRCLCRASIPIU-IBGZPJMESA-N 2 2 313.420 3.365 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1C ZINC000187363750 685114065 /nfs/dbraw/zinc/11/40/65/685114065.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1C ZINC000187363750 685114070 /nfs/dbraw/zinc/11/40/70/685114070.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363750 685114074 /nfs/dbraw/zinc/11/40/74/685114074.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 2 2 311.813 3.163 10 0 DGAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+]1C ZINC000187363750 685114076 /nfs/dbraw/zinc/11/40/76/685114076.db2.gz NMWMEXQCMLHMHH-AAEUAGOBSA-N 2 2 311.813 3.163 10 0 DGAELP c1cn(CCC[NH2+]Cc2ccccc2OCc2ccccn2)c[nH+]1 ZINC000066349999 1195523421 /nfs/dbraw/zinc/52/34/21/1195523421.db2.gz BBTTYQDDGLBINP-UHFFFAOYSA-N 2 2 322.412 3.037 10 0 DGAELP