smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(O)ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c1O ZINC001140751462 803516489 /nfs/dbraw/zinc/51/64/89/803516489.db2.gz XQHCHXLMAHPQLB-UHFFFAOYSA-N 2 2 276.380 2.076 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1F ZINC001206185999 815567281 /nfs/dbraw/zinc/56/72/81/815567281.db2.gz PQULNPHMOZLYPQ-VXGBXAGGSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1F ZINC001206185999 815567283 /nfs/dbraw/zinc/56/72/83/815567283.db2.gz PQULNPHMOZLYPQ-VXGBXAGGSA-N 2 2 272.751 2.307 20 10 CECDLP CC(C)[N@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141163175 816493858 /nfs/dbraw/zinc/49/38/58/816493858.db2.gz STLZIDSOTMECGW-UHFFFAOYSA-N 2 2 278.396 2.402 20 10 CECDLP CC(C)[N@@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141163175 816493861 /nfs/dbraw/zinc/49/38/61/816493861.db2.gz STLZIDSOTMECGW-UHFFFAOYSA-N 2 2 278.396 2.402 20 10 CECDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526951 816680659 /nfs/dbraw/zinc/68/06/59/816680659.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 2 2 282.334 2.198 20 10 CECDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526951 816680662 /nfs/dbraw/zinc/68/06/62/816680662.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 2 2 282.334 2.198 20 10 CECDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526951 816680667 /nfs/dbraw/zinc/68/06/67/816680667.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 2 2 282.334 2.198 20 10 CECDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526951 816680672 /nfs/dbraw/zinc/68/06/72/816680672.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 2 2 282.334 2.198 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912437 /nfs/dbraw/zinc/91/24/37/373912437.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 2 2 290.382 2.447 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912440 /nfs/dbraw/zinc/91/24/40/373912440.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 2 2 290.382 2.447 20 10 CECDLP Oc1cccc2c1[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000295790335 378304881 /nfs/dbraw/zinc/30/48/81/378304881.db2.gz BOBUBWROKSXYKE-CYBMUJFWSA-N 2 2 257.337 2.256 20 10 CECDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000155936985 261109797 /nfs/dbraw/zinc/10/97/97/261109797.db2.gz PKOXZESLHKKWAD-GOEBONIOSA-N 2 2 292.423 2.401 20 10 CECDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000817952819 633792860 /nfs/dbraw/zinc/79/28/60/633792860.db2.gz ULOBYKJNWNHBCI-VIFPVBQESA-N 2 2 287.201 2.333 20 10 CECDLP C[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951946 633796566 /nfs/dbraw/zinc/79/65/66/633796566.db2.gz BRSSXYRFPFPCGX-CABZTGNLSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952537 633797751 /nfs/dbraw/zinc/79/77/51/633797751.db2.gz RMZBOPIPBXVTON-GXSJLCMTSA-N 2 2 254.761 2.448 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818614615 633960941 /nfs/dbraw/zinc/96/09/41/633960941.db2.gz CWTUEICNTKVSLR-ZLKJLUDKSA-N 2 2 292.379 2.099 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353227 635585655 /nfs/dbraw/zinc/58/56/55/635585655.db2.gz JJWVZFODBCIOJY-GOSISDBHSA-N 3 2 298.434 2.001 20 10 CECDLP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904429914 635625490 /nfs/dbraw/zinc/62/54/90/635625490.db2.gz BJBJXKNPOXULOV-INIZCTEOSA-N 2 2 276.380 2.119 20 10 CECDLP COc1cccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904429914 635625495 /nfs/dbraw/zinc/62/54/95/635625495.db2.gz BJBJXKNPOXULOV-INIZCTEOSA-N 2 2 276.380 2.119 20 10 CECDLP Cc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000904462588 635635119 /nfs/dbraw/zinc/63/51/19/635635119.db2.gz XAMARYXLIIDORX-NVXWUHKLSA-N 2 2 268.360 2.415 20 10 CECDLP CCC[NH2+]CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000841046384 639630858 /nfs/dbraw/zinc/63/08/58/639630858.db2.gz CRZRPQIICLUXKF-UHFFFAOYSA-N 2 2 256.777 2.443 20 10 CECDLP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841084965 639649404 /nfs/dbraw/zinc/64/94/04/639649404.db2.gz RBBSGUJFYFPKSU-KOLCDFICSA-N 2 2 254.761 2.263 20 10 CECDLP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841084964 639650172 /nfs/dbraw/zinc/65/01/72/639650172.db2.gz RBBSGUJFYFPKSU-GXSJLCMTSA-N 2 2 254.761 2.263 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085631 639652142 /nfs/dbraw/zinc/65/21/42/639652142.db2.gz JBLHXURGLYYNJV-KJPDOMRESA-N 2 2 273.424 2.496 20 10 CECDLP COCC[NH2+]C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000844901794 640859915 /nfs/dbraw/zinc/85/99/15/640859915.db2.gz YNHRUTWZTYVUNL-UHFFFAOYSA-N 2 2 298.814 2.246 20 10 CECDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921527833 642207315 /nfs/dbraw/zinc/20/73/15/642207315.db2.gz OWRPOAOQFASDLS-ZDUSSCGKSA-N 2 2 271.364 2.386 20 10 CECDLP CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1F ZINC000843052472 644760849 /nfs/dbraw/zinc/76/08/49/644760849.db2.gz UNFPYWXYXXDPED-LBPRGKRZSA-N 2 2 267.392 2.451 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1F ZINC000843052472 644760853 /nfs/dbraw/zinc/76/08/53/644760853.db2.gz UNFPYWXYXXDPED-LBPRGKRZSA-N 2 2 267.392 2.451 20 10 CECDLP COc1ccc([C@H](C[NH3+])C[N@H+](C)c2ccc(N)cc2)cc1 ZINC000863558784 646756207 /nfs/dbraw/zinc/75/62/07/646756207.db2.gz XLPVPZXKHMZTDT-CQSZACIVSA-N 2 2 285.391 2.456 20 10 CECDLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)c2ccc(N)cc2)cc1 ZINC000863558784 646756208 /nfs/dbraw/zinc/75/62/08/646756208.db2.gz XLPVPZXKHMZTDT-CQSZACIVSA-N 2 2 285.391 2.456 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000863647157 646776546 /nfs/dbraw/zinc/77/65/46/646776546.db2.gz XXUMPCHHEOJLBH-JOGGYFKDSA-N 2 2 273.424 2.496 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863651377 646777108 /nfs/dbraw/zinc/77/71/08/646777108.db2.gz HEGQVKUFLHMJMB-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863651377 646777109 /nfs/dbraw/zinc/77/71/09/646777109.db2.gz HEGQVKUFLHMJMB-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555135 646965102 /nfs/dbraw/zinc/96/51/02/646965102.db2.gz JSIPDESVBVVJEE-UKRRQHHQSA-N 2 2 298.814 2.153 20 10 CECDLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555135 646965106 /nfs/dbraw/zinc/96/51/06/646965106.db2.gz JSIPDESVBVVJEE-UKRRQHHQSA-N 2 2 298.814 2.153 20 10 CECDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555136 646965295 /nfs/dbraw/zinc/96/52/95/646965295.db2.gz JSIPDESVBVVJEE-ZFWWWQNUSA-N 2 2 298.814 2.153 20 10 CECDLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555136 646965296 /nfs/dbraw/zinc/96/52/96/646965296.db2.gz JSIPDESVBVVJEE-ZFWWWQNUSA-N 2 2 298.814 2.153 20 10 CECDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1O ZINC000779067754 647284707 /nfs/dbraw/zinc/28/47/07/647284707.db2.gz ZOEQBHSIFMLRNV-JQWIXIFHSA-N 2 2 275.327 2.393 20 10 CECDLP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1O)[NH+](C)C ZINC000697836562 806702631 /nfs/dbraw/zinc/70/26/31/806702631.db2.gz JJWARDFLPGKVHS-JTQLQIEISA-N 2 2 256.777 2.475 20 10 CECDLP Nc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001120371481 807187274 /nfs/dbraw/zinc/18/72/74/807187274.db2.gz YWSOOMQIBTXPPR-ZDUSSCGKSA-N 2 2 256.353 2.372 20 10 CECDLP Nc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC001120371481 807187278 /nfs/dbraw/zinc/18/72/78/807187278.db2.gz YWSOOMQIBTXPPR-ZDUSSCGKSA-N 2 2 256.353 2.372 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001120269144 815209146 /nfs/dbraw/zinc/20/91/46/815209146.db2.gz NHQWYEKXCGCBOI-QGZVFWFLSA-N 2 2 284.407 2.124 20 10 CECDLP C[C@@H](CC[NH2+]Cc1c(O)cccc1Cl)[NH+](C)C ZINC000697838341 814652555 /nfs/dbraw/zinc/65/25/55/814652555.db2.gz PXZVTRBFVOXTSS-JTQLQIEISA-N 2 2 256.777 2.475 20 10 CECDLP Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206371699 816839011 /nfs/dbraw/zinc/83/90/11/816839011.db2.gz UYWLBVNTFAYNKA-OAHLLOKOSA-N 2 2 284.350 2.493 20 10 CECDLP Cc1cc(F)cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206371699 816839022 /nfs/dbraw/zinc/83/90/22/816839022.db2.gz UYWLBVNTFAYNKA-OAHLLOKOSA-N 2 2 284.350 2.493 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178021 380196246 /nfs/dbraw/zinc/19/62/46/380196246.db2.gz NJRGPTGUVYPDRV-CYBMUJFWSA-N 2 2 266.772 2.420 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372933077 395050157 /nfs/dbraw/zinc/05/01/57/395050157.db2.gz YILLLNAQPXPUKV-ZNMIVQPWSA-N 2 2 290.407 2.296 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372933077 395050160 /nfs/dbraw/zinc/05/01/60/395050160.db2.gz YILLLNAQPXPUKV-ZNMIVQPWSA-N 2 2 290.407 2.296 20 10 CECDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362681 173151412 /nfs/dbraw/zinc/15/14/12/173151412.db2.gz QGICMMRQJHPZSM-OAHLLOKOSA-N 2 2 260.381 2.195 20 10 CECDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362681 173151414 /nfs/dbraw/zinc/15/14/14/173151414.db2.gz QGICMMRQJHPZSM-OAHLLOKOSA-N 2 2 260.381 2.195 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000091662228 260266402 /nfs/dbraw/zinc/26/64/02/260266402.db2.gz MMTTXRKKFWXDJA-IACUBPJLSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000091662228 260266403 /nfs/dbraw/zinc/26/64/03/260266403.db2.gz MMTTXRKKFWXDJA-IACUBPJLSA-N 2 2 294.370 2.045 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000125489037 521848449 /nfs/dbraw/zinc/84/84/49/521848449.db2.gz FPNCWNYEDWOWPG-AWEZNQCLSA-N 2 2 279.403 2.275 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000125489037 521848464 /nfs/dbraw/zinc/84/84/64/521848464.db2.gz FPNCWNYEDWOWPG-AWEZNQCLSA-N 2 2 279.403 2.275 20 10 CECDLP C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1cc[nH+]c1 ZINC000067500434 524488547 /nfs/dbraw/zinc/48/85/47/524488547.db2.gz NWRUFRYXZCJJFC-CYBMUJFWSA-N 2 2 271.364 2.244 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1F ZINC000740004442 574938816 /nfs/dbraw/zinc/93/88/16/574938816.db2.gz NDZBNFYQFBLQQF-CQSZACIVSA-N 2 2 279.403 2.466 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1F ZINC000740004442 574938817 /nfs/dbraw/zinc/93/88/17/574938817.db2.gz NDZBNFYQFBLQQF-CQSZACIVSA-N 2 2 279.403 2.466 20 10 CECDLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328166558 627864003 /nfs/dbraw/zinc/86/40/03/627864003.db2.gz IZNNOMGFERTLEZ-HNNXBMFYSA-N 2 2 261.413 2.327 20 10 CECDLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328166558 627864006 /nfs/dbraw/zinc/86/40/06/627864006.db2.gz IZNNOMGFERTLEZ-HNNXBMFYSA-N 2 2 261.413 2.327 20 10 CECDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449412 634672537 /nfs/dbraw/zinc/67/25/37/634672537.db2.gz OCKSYPBVVWOCHX-RNCFNFMXSA-N 2 2 252.333 2.180 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1O ZINC000902450622 634673035 /nfs/dbraw/zinc/67/30/35/634673035.db2.gz UJMNELXZUOHTHY-NOZJJQNGSA-N 2 2 252.333 2.180 20 10 CECDLP C[C@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC000895293253 630084480 /nfs/dbraw/zinc/08/44/80/630084480.db2.gz XCOUGXHFTZKPRW-LLVKDONJSA-N 2 2 285.382 2.461 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CC[N@@H+]1C ZINC000896637386 630620695 /nfs/dbraw/zinc/62/06/95/630620695.db2.gz JPWRPQLMFIETTO-MNOVXSKESA-N 2 2 252.333 2.104 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CC[N@H+]1C ZINC000896637386 630620698 /nfs/dbraw/zinc/62/06/98/630620698.db2.gz JPWRPQLMFIETTO-MNOVXSKESA-N 2 2 252.333 2.104 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485621 631560883 /nfs/dbraw/zinc/56/08/83/631560883.db2.gz NUGJQGWNDDXUKB-SKDRFNHKSA-N 2 2 299.212 2.385 20 10 CECDLP COCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943503 633791223 /nfs/dbraw/zinc/79/12/23/633791223.db2.gz URNJIFYSOSYXLT-CZUORRHYSA-N 2 2 279.428 2.157 20 10 CECDLP CC[NH2+]CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817943153 633791292 /nfs/dbraw/zinc/79/12/92/633791292.db2.gz JMVGCOUUBXKWHZ-SECBINFHSA-N 2 2 258.312 2.321 20 10 CECDLP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1O ZINC000817966750 633810428 /nfs/dbraw/zinc/81/04/28/633810428.db2.gz VBHDUXMXQCNFIH-RKDXNWHRSA-N 2 2 287.201 2.461 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000817976581 633820094 /nfs/dbraw/zinc/82/00/94/633820094.db2.gz OGDVTOLMXNWHRQ-RNCFNFMXSA-N 2 2 282.334 2.463 20 10 CECDLP Cc1cc(Br)cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903964830 635398795 /nfs/dbraw/zinc/39/87/95/635398795.db2.gz WRWSBMCBZITCTJ-BXKDBHETSA-N 2 2 299.212 2.161 20 10 CECDLP c1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000904381551 635605699 /nfs/dbraw/zinc/60/56/99/635605699.db2.gz YAPMRWJENMHVLX-INIZCTEOSA-N 2 2 272.392 2.386 20 10 CECDLP COc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1O ZINC000904461339 635634576 /nfs/dbraw/zinc/63/45/76/635634576.db2.gz HONWEGACKUQYPV-GDBMZVCRSA-N 2 2 284.359 2.115 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000840928769 639589097 /nfs/dbraw/zinc/58/90/97/639589097.db2.gz IYCQGXJNNRZOPH-AWEZNQCLSA-N 2 2 272.396 2.436 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1O ZINC000841036167 639627867 /nfs/dbraw/zinc/62/78/67/639627867.db2.gz PGDXMRSFDHQXKK-GFCCVEGCSA-N 2 2 254.761 2.196 20 10 CECDLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841058060 639635787 /nfs/dbraw/zinc/63/57/87/639635787.db2.gz OTOMSOCHUOZMON-MNOVXSKESA-N 2 2 254.761 2.405 20 10 CECDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841062730 639638380 /nfs/dbraw/zinc/63/83/80/639638380.db2.gz CAOZAPYLTDMKPP-ZDUSSCGKSA-N 2 2 286.375 2.408 20 10 CECDLP CC1([NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH2+]CC1 ZINC000841065302 639640844 /nfs/dbraw/zinc/64/08/44/639640844.db2.gz NNHTVTLPWIATQH-UHFFFAOYSA-N 2 2 272.751 2.416 20 10 CECDLP C[C@]1(C[NH3+])CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843116544 640286481 /nfs/dbraw/zinc/28/64/81/640286481.db2.gz ZGQKYXRXSSMKFP-CYBMUJFWSA-N 2 2 272.751 2.355 20 10 CECDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843116544 640286484 /nfs/dbraw/zinc/28/64/84/640286484.db2.gz ZGQKYXRXSSMKFP-CYBMUJFWSA-N 2 2 272.751 2.355 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843362453 640404593 /nfs/dbraw/zinc/40/45/93/640404593.db2.gz HJAPJFSFDMGZKO-MWLCHTKSSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843362453 640404596 /nfs/dbraw/zinc/40/45/96/640404596.db2.gz HJAPJFSFDMGZKO-MWLCHTKSSA-N 2 2 296.798 2.417 20 10 CECDLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(O)c1 ZINC000877527603 650768573 /nfs/dbraw/zinc/76/85/73/650768573.db2.gz MDFCNMOBHPGTCM-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(O)c1 ZINC000877527603 650768575 /nfs/dbraw/zinc/76/85/75/650768575.db2.gz MDFCNMOBHPGTCM-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP CCO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C[NH+](C)C ZINC000922757514 643248136 /nfs/dbraw/zinc/24/81/36/643248136.db2.gz TUHYXDJCWMAXAL-ZDUSSCGKSA-N 2 2 286.803 2.102 20 10 CECDLP C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C[NH+](C)C ZINC000858167293 645079211 /nfs/dbraw/zinc/07/92/11/645079211.db2.gz PQRDTCNKHTYTGE-LLVKDONJSA-N 2 2 285.382 2.318 20 10 CECDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[NH+](C)C)CC2)cc1 ZINC000765776260 645808625 /nfs/dbraw/zinc/80/86/25/645808625.db2.gz VXSQLNFFIGHJBF-AWEZNQCLSA-N 2 2 291.439 2.204 20 10 CECDLP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1O ZINC000863544510 646752778 /nfs/dbraw/zinc/75/27/78/646752778.db2.gz WFVRUOVUKNZILY-CYBMUJFWSA-N 2 2 286.803 2.322 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778187128 647207031 /nfs/dbraw/zinc/20/70/31/647207031.db2.gz ILVIYKZSKXWTDL-GFCCVEGCSA-N 2 2 277.755 2.347 20 10 CECDLP COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1OC ZINC000873216818 649593902 /nfs/dbraw/zinc/59/39/02/649593902.db2.gz YLIQOMFNRNUENF-CYBMUJFWSA-N 2 2 294.395 2.113 20 10 CECDLP COc1cc(O)c(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1OC ZINC000873216818 649593904 /nfs/dbraw/zinc/59/39/04/649593904.db2.gz YLIQOMFNRNUENF-CYBMUJFWSA-N 2 2 294.395 2.113 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)cc(F)c1O ZINC000873256845 649612710 /nfs/dbraw/zinc/61/27/10/649612710.db2.gz PCNGKUVGLHUOET-NQMVMOMDSA-N 2 2 256.296 2.058 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1F ZINC001206156331 815282047 /nfs/dbraw/zinc/28/20/47/815282047.db2.gz QCIQWEWZZVSETI-VXGBXAGGSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1F ZINC001206156331 815282052 /nfs/dbraw/zinc/28/20/52/815282052.db2.gz QCIQWEWZZVSETI-VXGBXAGGSA-N 2 2 272.751 2.307 20 10 CECDLP C[N@H+]1CC=C(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708503915 809943942 /nfs/dbraw/zinc/94/39/42/809943942.db2.gz RRRSBAYZGRQJBN-UHFFFAOYSA-N 2 2 268.307 2.022 20 10 CECDLP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708503915 809943948 /nfs/dbraw/zinc/94/39/48/809943948.db2.gz RRRSBAYZGRQJBN-UHFFFAOYSA-N 2 2 268.307 2.022 20 10 CECDLP COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC000092648786 364093385 /nfs/dbraw/zinc/09/33/85/364093385.db2.gz BUDPNCMZRHPYKT-UHFFFAOYSA-N 2 2 287.363 2.434 20 10 CECDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611756 373580244 /nfs/dbraw/zinc/58/02/44/373580244.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611756 373580251 /nfs/dbraw/zinc/58/02/51/373580251.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611756 373580259 /nfs/dbraw/zinc/58/02/59/373580259.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611756 373580266 /nfs/dbraw/zinc/58/02/66/373580266.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611754 373581167 /nfs/dbraw/zinc/58/11/67/373581167.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611754 373581173 /nfs/dbraw/zinc/58/11/73/373581173.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611754 373581181 /nfs/dbraw/zinc/58/11/81/373581181.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611754 373581185 /nfs/dbraw/zinc/58/11/85/373581185.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2C1 ZINC000294569622 377997515 /nfs/dbraw/zinc/99/75/15/377997515.db2.gz GIMFKURNAAWCRD-PHIMTYICSA-N 2 2 284.762 2.178 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2C1 ZINC000294569622 377997525 /nfs/dbraw/zinc/99/75/25/377997525.db2.gz GIMFKURNAAWCRD-PHIMTYICSA-N 2 2 284.762 2.178 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2C1 ZINC000294569622 377997528 /nfs/dbraw/zinc/99/75/28/377997528.db2.gz GIMFKURNAAWCRD-PHIMTYICSA-N 2 2 284.762 2.178 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2C1 ZINC000294569622 377997534 /nfs/dbraw/zinc/99/75/34/377997534.db2.gz GIMFKURNAAWCRD-PHIMTYICSA-N 2 2 284.762 2.178 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530214227 380197448 /nfs/dbraw/zinc/19/74/48/380197448.db2.gz CKXUUNZAUCCEMF-NHYWBVRUSA-N 2 2 276.380 2.336 20 10 CECDLP CCCN(Cc1[nH+]ccn1C)c1ccc(C[NH3+])cc1 ZINC000278413431 521694624 /nfs/dbraw/zinc/69/46/24/521694624.db2.gz QJYHRNYQFZFHPH-UHFFFAOYSA-N 2 2 258.369 2.295 20 10 CECDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551967 521717228 /nfs/dbraw/zinc/71/72/28/521717228.db2.gz OEXNXZPGVHLYAF-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551967 521717230 /nfs/dbraw/zinc/71/72/30/521717230.db2.gz OEXNXZPGVHLYAF-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP Cc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000367698793 524404251 /nfs/dbraw/zinc/40/42/51/524404251.db2.gz FYVWODZFXFPZIH-CQSZACIVSA-N 2 2 271.364 2.424 20 10 CECDLP Cc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000367698793 524404258 /nfs/dbraw/zinc/40/42/58/524404258.db2.gz FYVWODZFXFPZIH-CQSZACIVSA-N 2 2 271.364 2.424 20 10 CECDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc(Br)ccc1O ZINC000902414721 634663576 /nfs/dbraw/zinc/66/35/76/634663576.db2.gz ZUZQXMOBMVVQMZ-QMMMGPOBSA-N 2 2 285.185 2.297 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)cc(F)c1O ZINC000925883934 628982849 /nfs/dbraw/zinc/98/28/49/628982849.db2.gz ZESWPUCFJJBWNP-KKZNHRDASA-N 2 2 270.323 2.448 20 10 CECDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C[NH+](C)C ZINC000926963938 632391282 /nfs/dbraw/zinc/39/12/82/632391282.db2.gz WASSBOXMFXKRAH-ZIAGYGMSSA-N 2 2 280.412 2.318 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(O)c1 ZINC000841066232 632424846 /nfs/dbraw/zinc/42/48/46/632424846.db2.gz YNNFRMSEQBRDNT-BXUZGUMPSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@H]([NH2+]CCC[NH3+])c1cc(Br)cc(F)c1O ZINC000817937964 633789116 /nfs/dbraw/zinc/78/91/16/633789116.db2.gz AQMIALLFXUGFIE-ZETCQYMHSA-N 2 2 291.164 2.293 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952540 633797740 /nfs/dbraw/zinc/79/77/40/633797740.db2.gz RMZBOPIPBXVTON-MWLCHTKSSA-N 2 2 254.761 2.448 20 10 CECDLP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1O ZINC000817964773 633806012 /nfs/dbraw/zinc/80/60/12/633806012.db2.gz IFEHIAOLLPUVJF-GFCCVEGCSA-N 2 2 252.333 2.453 20 10 CECDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904357791 635590591 /nfs/dbraw/zinc/59/05/91/635590591.db2.gz BHZNGWFLWOKRTF-HNNXBMFYSA-N 2 2 260.381 2.242 20 10 CECDLP COc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000904431481 635625902 /nfs/dbraw/zinc/62/59/02/635625902.db2.gz UNTIUKBUGSISJS-MRXNPFEDSA-N 2 2 276.380 2.119 20 10 CECDLP COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000904431481 635625906 /nfs/dbraw/zinc/62/59/06/635625906.db2.gz UNTIUKBUGSISJS-MRXNPFEDSA-N 2 2 276.380 2.119 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000835043043 638034828 /nfs/dbraw/zinc/03/48/28/638034828.db2.gz OKLHIKIEDMIYRS-AATRIKPKSA-N 2 2 273.424 2.451 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH2+]1 ZINC000841062127 639637997 /nfs/dbraw/zinc/63/79/97/639637997.db2.gz GIHQKSQVCCJPBI-DTWKUNHWSA-N 2 2 272.751 2.415 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000841066892 639640553 /nfs/dbraw/zinc/64/05/53/639640553.db2.gz XKTXRBNKNATCPM-SNVBAGLBSA-N 2 2 256.777 2.442 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1O ZINC000842475941 640074516 /nfs/dbraw/zinc/07/45/16/640074516.db2.gz YLILSJNXVUIAFE-ZDUSSCGKSA-N 2 2 282.359 2.197 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056879 640259532 /nfs/dbraw/zinc/25/95/32/640259532.db2.gz BIJRZTCMVKMMQT-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056879 640259537 /nfs/dbraw/zinc/25/95/37/640259537.db2.gz BIJRZTCMVKMMQT-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058485 640261972 /nfs/dbraw/zinc/26/19/72/640261972.db2.gz UIAHEKIYZLQXAF-UWVGGRQHSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058485 640261977 /nfs/dbraw/zinc/26/19/77/640261977.db2.gz UIAHEKIYZLQXAF-UWVGGRQHSA-N 2 2 254.761 2.215 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000843120510 640289766 /nfs/dbraw/zinc/28/97/66/640289766.db2.gz NWTVLVFXDWKUGD-CZUORRHYSA-N 2 2 261.413 2.312 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000843120510 640289771 /nfs/dbraw/zinc/28/97/71/640289771.db2.gz NWTVLVFXDWKUGD-CZUORRHYSA-N 2 2 261.413 2.312 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124367 640290527 /nfs/dbraw/zinc/29/05/27/640290527.db2.gz ZGVHCKXPCILRPE-OAHLLOKOSA-N 2 2 264.344 2.107 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124367 640290530 /nfs/dbraw/zinc/29/05/30/640290530.db2.gz ZGVHCKXPCILRPE-OAHLLOKOSA-N 2 2 264.344 2.107 20 10 CECDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000846705020 641403792 /nfs/dbraw/zinc/40/37/92/641403792.db2.gz WZOWGWHRAWIQKN-ONGXEEELSA-N 2 2 254.761 2.357 20 10 CECDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1O ZINC000846705020 641403795 /nfs/dbraw/zinc/40/37/95/641403795.db2.gz WZOWGWHRAWIQKN-ONGXEEELSA-N 2 2 254.761 2.357 20 10 CECDLP CCC[N@H+](Cc1cccc(OCC)c1O)[C@H]1CC[NH2+]C1 ZINC000071314507 641739267 /nfs/dbraw/zinc/73/92/67/641739267.db2.gz CNMHBGQROBBRCM-AWEZNQCLSA-N 2 2 278.396 2.365 20 10 CECDLP CCC[N@@H+](Cc1cccc(OCC)c1O)[C@H]1CC[NH2+]C1 ZINC000071314507 641739276 /nfs/dbraw/zinc/73/92/76/641739276.db2.gz CNMHBGQROBBRCM-AWEZNQCLSA-N 2 2 278.396 2.365 20 10 CECDLP CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1F ZINC000843052469 644761398 /nfs/dbraw/zinc/76/13/98/644761398.db2.gz UNFPYWXYXXDPED-GFCCVEGCSA-N 2 2 267.392 2.451 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1F ZINC000843052469 644761402 /nfs/dbraw/zinc/76/14/02/644761402.db2.gz UNFPYWXYXXDPED-GFCCVEGCSA-N 2 2 267.392 2.451 20 10 CECDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226165 644858242 /nfs/dbraw/zinc/85/82/42/644858242.db2.gz GSDKSPAWYWWTLU-BXUZGUMPSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226165 644858245 /nfs/dbraw/zinc/85/82/45/644858245.db2.gz GSDKSPAWYWWTLU-BXUZGUMPSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226778 644859628 /nfs/dbraw/zinc/85/96/28/644859628.db2.gz ZDCRWAFHPONXSD-HZMBPMFUSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226778 644859633 /nfs/dbraw/zinc/85/96/33/644859633.db2.gz ZDCRWAFHPONXSD-HZMBPMFUSA-N 2 2 266.772 2.359 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863547073 646753676 /nfs/dbraw/zinc/75/36/76/646753676.db2.gz OQYVRJZHOKMKHC-SRVKXCTJSA-N 2 2 264.369 2.192 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229912 649601123 /nfs/dbraw/zinc/60/11/23/649601123.db2.gz IVGLSJRFOSLHPC-CVEARBPZSA-N 2 2 276.380 2.165 20 10 CECDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001236908898 808183911 /nfs/dbraw/zinc/18/39/11/808183911.db2.gz NGGJJLVOESAUBN-NSHDSACASA-N 2 2 276.380 2.355 20 10 CECDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001236908898 808183916 /nfs/dbraw/zinc/18/39/16/808183916.db2.gz NGGJJLVOESAUBN-NSHDSACASA-N 2 2 276.380 2.355 20 10 CECDLP Oc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001141160905 816492183 /nfs/dbraw/zinc/49/21/83/816492183.db2.gz JHFJNPCCNISIME-HNNXBMFYSA-N 2 2 286.331 2.146 20 10 CECDLP Oc1ccc(O)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC001141160905 816492187 /nfs/dbraw/zinc/49/21/87/816492187.db2.gz JHFJNPCCNISIME-HNNXBMFYSA-N 2 2 286.331 2.146 20 10 CECDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000180196421 368371845 /nfs/dbraw/zinc/37/18/45/368371845.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000180196421 368371849 /nfs/dbraw/zinc/37/18/49/368371849.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196421 368371851 /nfs/dbraw/zinc/37/18/51/368371851.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196421 368371854 /nfs/dbraw/zinc/37/18/54/368371854.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 2 2 266.360 2.446 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000368133342 394979416 /nfs/dbraw/zinc/97/94/16/394979416.db2.gz IQMKOZPALLAJOR-OAHLLOKOSA-N 2 2 284.407 2.476 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000368133342 394979420 /nfs/dbraw/zinc/97/94/20/394979420.db2.gz IQMKOZPALLAJOR-OAHLLOKOSA-N 2 2 284.407 2.476 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372933066 395050380 /nfs/dbraw/zinc/05/03/80/395050380.db2.gz YILLLNAQPXPUKV-KKUMJFAQSA-N 2 2 290.407 2.296 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372933066 395050385 /nfs/dbraw/zinc/05/03/85/395050385.db2.gz YILLLNAQPXPUKV-KKUMJFAQSA-N 2 2 290.407 2.296 20 10 CECDLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000037267113 173077140 /nfs/dbraw/zinc/07/71/40/173077140.db2.gz QRZDMZZRNPNJPL-UHFFFAOYSA-N 2 2 254.761 2.229 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000122328795 262347797 /nfs/dbraw/zinc/34/77/97/262347797.db2.gz DVCJRSVYSXVPTC-UKRRQHHQSA-N 2 2 273.424 2.467 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000122328795 262347798 /nfs/dbraw/zinc/34/77/98/262347798.db2.gz DVCJRSVYSXVPTC-UKRRQHHQSA-N 2 2 273.424 2.467 20 10 CECDLP COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377888020 329033478 /nfs/dbraw/zinc/03/34/78/329033478.db2.gz HWJAAMVXHBEXMQ-GFCCVEGCSA-N 2 2 287.363 2.124 20 10 CECDLP COc1ccc(O)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377888020 329033479 /nfs/dbraw/zinc/03/34/79/329033479.db2.gz HWJAAMVXHBEXMQ-GFCCVEGCSA-N 2 2 287.363 2.124 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OC ZINC000729681804 574490578 /nfs/dbraw/zinc/49/05/78/574490578.db2.gz JQTINDQEKWUMHQ-HNNXBMFYSA-N 2 2 278.396 2.025 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OC ZINC000729681804 574490579 /nfs/dbraw/zinc/49/05/79/574490579.db2.gz JQTINDQEKWUMHQ-HNNXBMFYSA-N 2 2 278.396 2.025 20 10 CECDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Br)cc1O ZINC000902408152 634623491 /nfs/dbraw/zinc/62/34/91/634623491.db2.gz XHBJWGDDKMZZRA-MRVPVSSYSA-N 2 2 285.185 2.297 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800834 628848054 /nfs/dbraw/zinc/84/80/54/628848054.db2.gz YBGQMORWEXJOOS-KGLIPLIRSA-N 2 2 290.407 2.202 20 10 CECDLP CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902042 633763183 /nfs/dbraw/zinc/76/31/83/633763183.db2.gz HHJUVHZOMGAHTG-GJZGRUSLSA-N 2 2 260.381 2.242 20 10 CECDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942163 633790108 /nfs/dbraw/zinc/79/01/08/633790108.db2.gz XMPJMWMKSLIYNG-FOGDFJRCSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941454 633790183 /nfs/dbraw/zinc/79/01/83/633790183.db2.gz JVCWJZCDDNWFIC-CXAGYDPISA-N 2 2 291.439 2.157 20 10 CECDLP Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000817944989 633792371 /nfs/dbraw/zinc/79/23/71/633792371.db2.gz QUYBGIWGOTXVMP-ONGXEEELSA-N 2 2 299.212 2.476 20 10 CECDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817952163 633796450 /nfs/dbraw/zinc/79/64/50/633796450.db2.gz OFJURJXXBYFYOQ-QMMMGPOBSA-N 2 2 273.174 2.025 20 10 CECDLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817959428 633800539 /nfs/dbraw/zinc/80/05/39/633800539.db2.gz FWPAWXKWAIFRKX-QPUJVOFHSA-N 2 2 254.761 2.434 20 10 CECDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817962067 633804596 /nfs/dbraw/zinc/80/45/96/633804596.db2.gz HPPMSTZLJVTGLU-DGCLKSJQSA-N 2 2 294.395 2.347 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Br)ccc1O ZINC000817971527 633815502 /nfs/dbraw/zinc/81/55/02/633815502.db2.gz DWEVCBNIONMMBF-JGVFFNPUSA-N 2 2 273.174 2.153 20 10 CECDLP COc1cccc(O)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904461635 635634450 /nfs/dbraw/zinc/63/44/50/635634450.db2.gz KZRQRIUXCPCMBA-RHSMWYFYSA-N 2 2 284.359 2.115 20 10 CECDLP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1O ZINC000841086327 637509648 /nfs/dbraw/zinc/50/96/48/637509648.db2.gz MZUJVJZPJHHUFF-ZDUSSCGKSA-N 2 2 264.369 2.021 20 10 CECDLP Cc1cccc(O)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000876958537 650506282 /nfs/dbraw/zinc/50/62/82/650506282.db2.gz GZONGNOHWDXYRF-UHFFFAOYSA-N 2 2 259.353 2.467 20 10 CECDLP COc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000841034111 639626978 /nfs/dbraw/zinc/62/69/78/639626978.db2.gz ALMFMWMMNQMCHB-OAHLLOKOSA-N 2 2 272.348 2.190 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(O)c2)cc1 ZINC000841044628 639631303 /nfs/dbraw/zinc/63/13/03/639631303.db2.gz XBDIDGMPJYJQPD-QGZVFWFLSA-N 2 2 285.391 2.248 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000841059731 639636305 /nfs/dbraw/zinc/63/63/05/639636305.db2.gz WIWRZHAOFBMBNS-BLLLJJGKSA-N 2 2 261.413 2.149 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000841058999 639636895 /nfs/dbraw/zinc/63/68/95/639636895.db2.gz IXQVBXQAHALBCQ-CJNGLKHVSA-N 2 2 292.423 2.319 20 10 CECDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841085655 639652071 /nfs/dbraw/zinc/65/20/71/639652071.db2.gz JHRAAZWPUDGIGW-GFCCVEGCSA-N 2 2 254.761 2.276 20 10 CECDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)[NH3+] ZINC000843359052 640403610 /nfs/dbraw/zinc/40/36/10/640403610.db2.gz FXJOHEVGFXKAQP-SECBINFHSA-N 2 2 287.201 2.324 20 10 CECDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)[NH3+] ZINC000843359052 640403613 /nfs/dbraw/zinc/40/36/13/640403613.db2.gz FXJOHEVGFXKAQP-SECBINFHSA-N 2 2 287.201 2.324 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1O ZINC000863542020 646751675 /nfs/dbraw/zinc/75/16/75/646751675.db2.gz DJUWHNZCQOTFOF-JIMOISOXSA-N 2 2 252.333 2.322 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863547074 646753706 /nfs/dbraw/zinc/75/37/06/646753706.db2.gz OQYVRJZHOKMKHC-WOPDTQHZSA-N 2 2 264.369 2.192 20 10 CECDLP CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1F ZINC000863652431 646777880 /nfs/dbraw/zinc/77/78/80/646777880.db2.gz STDKSUOIGHMJON-GFCCVEGCSA-N 2 2 267.392 2.451 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1F ZINC000863652431 646777881 /nfs/dbraw/zinc/77/78/81/646777881.db2.gz STDKSUOIGHMJON-GFCCVEGCSA-N 2 2 267.392 2.451 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1F ZINC001206185994 815568024 /nfs/dbraw/zinc/56/80/24/815568024.db2.gz PQULNPHMOZLYPQ-NEPJUHHUSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1F ZINC001206185994 815568025 /nfs/dbraw/zinc/56/80/25/815568025.db2.gz PQULNPHMOZLYPQ-NEPJUHHUSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1F ZINC001206185996 815567508 /nfs/dbraw/zinc/56/75/08/815567508.db2.gz PQULNPHMOZLYPQ-NWDGAFQWSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1F ZINC001206185996 815567513 /nfs/dbraw/zinc/56/75/13/815567513.db2.gz PQULNPHMOZLYPQ-NWDGAFQWSA-N 2 2 272.751 2.307 20 10 CECDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341645 813793253 /nfs/dbraw/zinc/79/32/53/813793253.db2.gz BLZIIHOGVRATCZ-JOYOIKCWSA-N 2 2 299.212 2.385 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246899104 814361745 /nfs/dbraw/zinc/36/17/45/814361745.db2.gz CPEUIKLGFIWVHN-MRXNPFEDSA-N 2 2 261.413 2.327 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246899104 814361753 /nfs/dbraw/zinc/36/17/53/814361753.db2.gz CPEUIKLGFIWVHN-MRXNPFEDSA-N 2 2 261.413 2.327 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000271187057 373168827 /nfs/dbraw/zinc/16/88/27/373168827.db2.gz NQLFXZPPBRGBMQ-DZGCQCFKSA-N 2 2 260.381 2.193 20 10 CECDLP Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1C ZINC000271187057 373168834 /nfs/dbraw/zinc/16/88/34/373168834.db2.gz NQLFXZPPBRGBMQ-DZGCQCFKSA-N 2 2 260.381 2.193 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000183522719 395259184 /nfs/dbraw/zinc/25/91/84/395259184.db2.gz PFXKCNJYRUBJLJ-UONOGXRCSA-N 2 2 278.396 2.011 20 10 CECDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095311 276187637 /nfs/dbraw/zinc/18/76/37/276187637.db2.gz UBHLPRDTZSMVCI-UONOGXRCSA-N 2 2 260.381 2.453 20 10 CECDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095311 276187639 /nfs/dbraw/zinc/18/76/39/276187639.db2.gz UBHLPRDTZSMVCI-UONOGXRCSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1O ZINC000377409037 329014593 /nfs/dbraw/zinc/01/45/93/329014593.db2.gz HIJMHBPETGSBGM-GHMZBOCLSA-N 2 2 257.337 2.323 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1O ZINC000377409037 329014596 /nfs/dbraw/zinc/01/45/96/329014596.db2.gz HIJMHBPETGSBGM-GHMZBOCLSA-N 2 2 257.337 2.323 20 10 CECDLP COc1ccc(O)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377888021 329033388 /nfs/dbraw/zinc/03/33/88/329033388.db2.gz HWJAAMVXHBEXMQ-LBPRGKRZSA-N 2 2 287.363 2.124 20 10 CECDLP COc1ccc(O)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377888021 329033389 /nfs/dbraw/zinc/03/33/89/329033389.db2.gz HWJAAMVXHBEXMQ-LBPRGKRZSA-N 2 2 287.363 2.124 20 10 CECDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005056 333292247 /nfs/dbraw/zinc/29/22/47/333292247.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 2 2 278.371 2.447 20 10 CECDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005056 333292248 /nfs/dbraw/zinc/29/22/48/333292248.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005056 333292250 /nfs/dbraw/zinc/29/22/50/333292250.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005056 333292251 /nfs/dbraw/zinc/29/22/51/333292251.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 2 2 278.371 2.447 20 10 CECDLP CC[C@H]([NH2+]CC[N@H+](C)CCOC)c1ccccc1O ZINC000061375155 522590620 /nfs/dbraw/zinc/59/06/20/522590620.db2.gz BFWMAMWBURYEPS-AWEZNQCLSA-N 2 2 266.385 2.011 20 10 CECDLP CC[C@H]([NH2+]CC[N@@H+](C)CCOC)c1ccccc1O ZINC000061375155 522590637 /nfs/dbraw/zinc/59/06/37/522590637.db2.gz BFWMAMWBURYEPS-AWEZNQCLSA-N 2 2 266.385 2.011 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449413 634672091 /nfs/dbraw/zinc/67/20/91/634672091.db2.gz OCKSYPBVVWOCHX-TVQRCGJNSA-N 2 2 252.333 2.180 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000840934321 628750969 /nfs/dbraw/zinc/75/09/69/628750969.db2.gz ZZNRJGJKEARNTI-MRXNPFEDSA-N 2 2 261.413 2.245 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000840934321 628750971 /nfs/dbraw/zinc/75/09/71/628750971.db2.gz ZZNRJGJKEARNTI-MRXNPFEDSA-N 2 2 261.413 2.245 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841064756 632386840 /nfs/dbraw/zinc/38/68/40/632386840.db2.gz IVYRCFYVBMTEAH-CABZTGNLSA-N 2 2 254.761 2.276 20 10 CECDLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(C(F)(F)F)cc1O ZINC000817934671 633786532 /nfs/dbraw/zinc/78/65/32/633786532.db2.gz AKUFHYVWDLXZSM-SNVBAGLBSA-N 2 2 262.275 2.410 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Br)cc1O ZINC000817944900 633792636 /nfs/dbraw/zinc/79/26/36/633792636.db2.gz OSXWHUNMVTXRJR-PSASIEDQSA-N 2 2 285.185 2.167 20 10 CECDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1O ZINC000817950155 633794932 /nfs/dbraw/zinc/79/49/32/633794932.db2.gz WZBQURVVKGYMGI-CYBMUJFWSA-N 2 2 298.390 2.370 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817954594 633798652 /nfs/dbraw/zinc/79/86/52/633798652.db2.gz ZMDVMWFKTLKAMD-WCQYABFASA-N 2 2 252.333 2.324 20 10 CECDLP COCC[NH2+]CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817964385 633805769 /nfs/dbraw/zinc/80/57/69/633805769.db2.gz AKVPLYHUCHPARG-CYBMUJFWSA-N 2 2 292.423 2.158 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Br)c(F)cc1O ZINC000817973454 633817726 /nfs/dbraw/zinc/81/77/26/633817726.db2.gz UCMPBEUIHOOPHI-NKWVEPMBSA-N 2 2 291.164 2.292 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000817976582 633820361 /nfs/dbraw/zinc/82/03/61/633820361.db2.gz OGDVTOLMXNWHRQ-TVQRCGJNSA-N 2 2 282.334 2.463 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1O ZINC000817977729 633821535 /nfs/dbraw/zinc/82/15/35/633821535.db2.gz NTGHMKRVJGYGJE-DNIRFERGSA-N 2 2 266.772 2.304 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903873868 635321000 /nfs/dbraw/zinc/32/10/00/635321000.db2.gz MWFKRSFGRDIDBV-LBPRGKRZSA-N 2 2 271.355 2.167 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903873868 635321006 /nfs/dbraw/zinc/32/10/06/635321006.db2.gz MWFKRSFGRDIDBV-LBPRGKRZSA-N 2 2 271.355 2.167 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000827124944 636224857 /nfs/dbraw/zinc/22/48/57/636224857.db2.gz GJGXPBHZDPIMJB-UHFFFAOYSA-N 2 2 261.413 2.054 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000827124944 636224859 /nfs/dbraw/zinc/22/48/59/636224859.db2.gz GJGXPBHZDPIMJB-UHFFFAOYSA-N 2 2 261.413 2.054 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000841089412 637710215 /nfs/dbraw/zinc/71/02/15/637710215.db2.gz HBYWYOXMCQYTQZ-GFCCVEGCSA-N 2 2 284.787 2.286 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000840938371 639592668 /nfs/dbraw/zinc/59/26/68/639592668.db2.gz OEYSCSSRGMKKGF-OAHLLOKOSA-N 2 2 284.407 2.362 20 10 CECDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1F ZINC000841032601 639624238 /nfs/dbraw/zinc/62/42/38/639624238.db2.gz HMAZPRHVRXPTCW-CYBMUJFWSA-N 2 2 265.376 2.123 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841034267 639626275 /nfs/dbraw/zinc/62/62/75/639626275.db2.gz WTPAMLGMABDECI-HNNXBMFYSA-N 2 2 261.413 2.293 20 10 CECDLP COc1cccc(O)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000841034323 639626781 /nfs/dbraw/zinc/62/67/81/639626781.db2.gz CKBJMSVZMKVFFG-CQSZACIVSA-N 2 2 272.348 2.190 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1F ZINC000841091172 639653867 /nfs/dbraw/zinc/65/38/67/639653867.db2.gz UVYZDMQUMUQTKW-ZDUSSCGKSA-N 2 2 265.376 2.123 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118688 640288242 /nfs/dbraw/zinc/28/82/42/640288242.db2.gz MMIDOQYJGSMUPD-OAHLLOKOSA-N 2 2 264.344 2.107 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118688 640288245 /nfs/dbraw/zinc/28/82/45/640288245.db2.gz MMIDOQYJGSMUPD-OAHLLOKOSA-N 2 2 264.344 2.107 20 10 CECDLP CCc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000848886850 642172262 /nfs/dbraw/zinc/17/22/62/642172262.db2.gz JBZVVYDENGMUBV-DZGCQCFKSA-N 2 2 260.381 2.138 20 10 CECDLP CCc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000848886850 642172265 /nfs/dbraw/zinc/17/22/65/642172265.db2.gz JBZVVYDENGMUBV-DZGCQCFKSA-N 2 2 260.381 2.138 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1F ZINC000877744696 650890947 /nfs/dbraw/zinc/89/09/47/650890947.db2.gz WZWJQPZWFSMHHB-GOEBONIOSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1F ZINC000877744696 650890949 /nfs/dbraw/zinc/89/09/49/650890949.db2.gz WZWJQPZWFSMHHB-GOEBONIOSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC000877744696 650890950 /nfs/dbraw/zinc/89/09/50/650890950.db2.gz WZWJQPZWFSMHHB-GOEBONIOSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1F ZINC000877744696 650890953 /nfs/dbraw/zinc/89/09/53/650890953.db2.gz WZWJQPZWFSMHHB-GOEBONIOSA-N 2 2 291.414 2.418 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000769485397 646276029 /nfs/dbraw/zinc/27/60/29/646276029.db2.gz QMRCDDPAYMSTNH-OLZOCXBDSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000769485397 646276040 /nfs/dbraw/zinc/27/60/40/646276040.db2.gz QMRCDDPAYMSTNH-OLZOCXBDSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000769485397 646276043 /nfs/dbraw/zinc/27/60/43/646276043.db2.gz QMRCDDPAYMSTNH-OLZOCXBDSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000769485397 646276046 /nfs/dbraw/zinc/27/60/46/646276046.db2.gz QMRCDDPAYMSTNH-OLZOCXBDSA-N 2 2 278.396 2.315 20 10 CECDLP CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC000863484228 646740290 /nfs/dbraw/zinc/74/02/90/646740290.db2.gz IGXFETKMYMSBMT-AAEUAGOBSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485619 646740797 /nfs/dbraw/zinc/74/07/97/646740797.db2.gz NUGJQGWNDDXUKB-CABZTGNLSA-N 2 2 299.212 2.385 20 10 CECDLP CN(C)c1ccc(C[N@H+](CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000873201722 649586769 /nfs/dbraw/zinc/58/67/69/649586769.db2.gz HAANTIAPWGKZGQ-UHFFFAOYSA-N 2 2 285.435 2.469 20 10 CECDLP CN(C)c1ccc(C[N@@H+](CC23CC(C2)C[NH2+]3)C2CC2)cc1 ZINC000873201722 649586774 /nfs/dbraw/zinc/58/67/74/649586774.db2.gz HAANTIAPWGKZGQ-UHFFFAOYSA-N 2 2 285.435 2.469 20 10 CECDLP CCOc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c(O)c1 ZINC000873229748 649601267 /nfs/dbraw/zinc/60/12/67/649601267.db2.gz FMCFARBONPJKCR-HZPDHXFCSA-N 2 2 276.380 2.165 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230753 649602510 /nfs/dbraw/zinc/60/25/10/649602510.db2.gz XRMAKNAPTKPZFV-DZGCQCFKSA-N 2 2 296.798 2.428 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873232021 649603445 /nfs/dbraw/zinc/60/34/45/649603445.db2.gz TYMYMJHVAJHBLX-IAGOWNOFSA-N 2 2 273.424 2.435 20 10 CECDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000702613513 809571262 /nfs/dbraw/zinc/57/12/62/809571262.db2.gz XIVCEAMLDXTSNO-GASCZTMLSA-N 2 2 280.799 2.477 20 10 CECDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708516471 809944080 /nfs/dbraw/zinc/94/40/80/809944080.db2.gz IRYOSBRJIBZBLR-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708516471 809944085 /nfs/dbraw/zinc/94/40/85/809944085.db2.gz IRYOSBRJIBZBLR-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP CC[N@H+](C)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162304 816491472 /nfs/dbraw/zinc/49/14/72/816491472.db2.gz ONLFTJSRRFOSRQ-UHFFFAOYSA-N 2 2 264.369 2.014 20 10 CECDLP CC[N@@H+](C)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162304 816491476 /nfs/dbraw/zinc/49/14/76/816491476.db2.gz ONLFTJSRRFOSRQ-UHFFFAOYSA-N 2 2 264.369 2.014 20 10 CECDLP C[N@H+](C1CC1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161532 816491618 /nfs/dbraw/zinc/49/16/18/816491618.db2.gz UIDICENQBOEENI-UHFFFAOYSA-N 2 2 276.380 2.156 20 10 CECDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161532 816491621 /nfs/dbraw/zinc/49/16/21/816491621.db2.gz UIDICENQBOEENI-UHFFFAOYSA-N 2 2 276.380 2.156 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272609196 373579485 /nfs/dbraw/zinc/57/94/85/373579485.db2.gz KDYYAKKCWJXRPJ-XJKSGUPXSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272609196 373579489 /nfs/dbraw/zinc/57/94/89/373579489.db2.gz KDYYAKKCWJXRPJ-XJKSGUPXSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272609196 373579495 /nfs/dbraw/zinc/57/94/95/373579495.db2.gz KDYYAKKCWJXRPJ-XJKSGUPXSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272609196 373579504 /nfs/dbraw/zinc/57/95/04/373579504.db2.gz KDYYAKKCWJXRPJ-XJKSGUPXSA-N 2 2 290.407 2.317 20 10 CECDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000286334437 375918784 /nfs/dbraw/zinc/91/87/84/375918784.db2.gz YBETXTIWWOIRLE-DZGCQCFKSA-N 2 2 296.386 2.029 20 10 CECDLP Oc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271352584 394754412 /nfs/dbraw/zinc/75/44/12/394754412.db2.gz LRJGEYXBLMPDSJ-CYBMUJFWSA-N 2 2 257.337 2.495 20 10 CECDLP Oc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271352584 394754417 /nfs/dbraw/zinc/75/44/17/394754417.db2.gz LRJGEYXBLMPDSJ-CYBMUJFWSA-N 2 2 257.337 2.495 20 10 CECDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000185505292 262057871 /nfs/dbraw/zinc/05/78/71/262057871.db2.gz CFFYKTKPCBHKPE-CABCVRRESA-N 2 2 292.423 2.320 20 10 CECDLP COc1ccc(O)c([C@H](C)[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377634185 329022109 /nfs/dbraw/zinc/02/21/09/329022109.db2.gz ZBKJCWZZKMHDKX-LBPRGKRZSA-N 2 2 276.380 2.242 20 10 CECDLP COc1ccc(O)c([C@H](C)[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377634185 329022111 /nfs/dbraw/zinc/02/21/11/329022111.db2.gz ZBKJCWZZKMHDKX-LBPRGKRZSA-N 2 2 276.380 2.242 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000037157867 521371694 /nfs/dbraw/zinc/37/16/94/521371694.db2.gz XFHGQOMYLOJQBN-LBPRGKRZSA-N 2 2 275.352 2.166 20 10 CECDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551969 521710265 /nfs/dbraw/zinc/71/02/65/521710265.db2.gz OEXNXZPGVHLYAF-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551969 521710266 /nfs/dbraw/zinc/71/02/66/521710266.db2.gz OEXNXZPGVHLYAF-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000125489200 521877749 /nfs/dbraw/zinc/87/77/49/521877749.db2.gz FPNCWNYEDWOWPG-CQSZACIVSA-N 2 2 279.403 2.275 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000125489200 521877758 /nfs/dbraw/zinc/87/77/58/521877758.db2.gz FPNCWNYEDWOWPG-CQSZACIVSA-N 2 2 279.403 2.275 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037157735 524775092 /nfs/dbraw/zinc/77/50/92/524775092.db2.gz IKGIKPQDVNQYCH-NEPJUHHUSA-N 2 2 275.352 2.337 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1O ZINC000863545893 631569321 /nfs/dbraw/zinc/56/93/21/631569321.db2.gz BACDUMUIQHAEEX-VDDIYKPWSA-N 2 2 254.761 2.447 20 10 CECDLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000843127580 631749995 /nfs/dbraw/zinc/74/99/95/631749995.db2.gz DZBQPCRNYCRSFR-YUMQZZPRSA-N 2 2 260.740 2.400 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898310643 632167261 /nfs/dbraw/zinc/16/72/61/632167261.db2.gz YUTJHSIGPNFJRO-UHFFFAOYSA-N 2 2 280.412 2.420 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898310643 632167263 /nfs/dbraw/zinc/16/72/63/632167263.db2.gz YUTJHSIGPNFJRO-UHFFFAOYSA-N 2 2 280.412 2.420 20 10 CECDLP CCO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962642 632390230 /nfs/dbraw/zinc/39/02/30/632390230.db2.gz RKLABNPWMXQYBD-KBPBESRZSA-N 2 2 280.412 2.318 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Br)cc1O ZINC000817944903 633792285 /nfs/dbraw/zinc/79/22/85/633792285.db2.gz OSXWHUNMVTXRJR-WPRPVWTQSA-N 2 2 285.185 2.167 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000817955933 633799342 /nfs/dbraw/zinc/79/93/42/633799342.db2.gz LTIUMFAXFLNWCA-DOMZBBRYSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000817955933 633799344 /nfs/dbraw/zinc/79/93/44/633799344.db2.gz LTIUMFAXFLNWCA-DOMZBBRYSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817973283 633817538 /nfs/dbraw/zinc/81/75/38/633817538.db2.gz SJJDJLWSRVZRRS-YUMQZZPRSA-N 2 2 262.275 2.409 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2c1c(F)ccc2O ZINC000817977067 633820180 /nfs/dbraw/zinc/82/01/80/633820180.db2.gz ZXVCZBRIISPTSD-QFOLPQNPSA-N 2 2 282.334 2.369 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc2ccccc2c1O ZINC000817983947 633826132 /nfs/dbraw/zinc/82/61/32/633826132.db2.gz SFDIYOHILYMPNX-JSGCOSHPSA-N 2 2 286.375 2.184 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)cc(F)c1O ZINC000817982705 633827551 /nfs/dbraw/zinc/82/75/51/633827551.db2.gz VOVRPENVPIYNIG-IQJOONFLSA-N 2 2 270.323 2.448 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1O ZINC000818615477 633960447 /nfs/dbraw/zinc/96/04/47/633960447.db2.gz PWRYGOVGPNBTNL-ZWKOPEQDSA-N 2 2 252.333 2.452 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@H]2CCSC2)cc1 ZINC000841046258 639630699 /nfs/dbraw/zinc/63/06/99/639630699.db2.gz YQKPPYSBDZGIAR-DOMZBBRYSA-N 2 2 279.453 2.095 20 10 CECDLP COC[C@H](CC(C)C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045917 639630730 /nfs/dbraw/zinc/63/07/30/639630730.db2.gz SQQATQOLHWBISW-DOTOQJQBSA-N 2 2 293.455 2.403 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1O ZINC000841080153 639648775 /nfs/dbraw/zinc/64/87/75/639648775.db2.gz UOXGEEPSZLFFNB-RYUDHWBXSA-N 2 2 272.751 2.144 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000841091476 639654788 /nfs/dbraw/zinc/65/47/88/639654788.db2.gz YRPUPVYVEAZQMA-SQRWCISFSA-N 2 2 273.424 2.498 20 10 CECDLP C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1C[NH3+] ZINC000841101122 639656321 /nfs/dbraw/zinc/65/63/21/639656321.db2.gz OJLIOPZBTSCBJZ-JQWIXIFHSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1C[NH3+] ZINC000841101122 639656330 /nfs/dbraw/zinc/65/63/30/639656330.db2.gz OJLIOPZBTSCBJZ-JQWIXIFHSA-N 2 2 268.788 2.462 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843045248 640249962 /nfs/dbraw/zinc/24/99/62/640249962.db2.gz SNGYTCRIZDQYJS-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843045248 640249965 /nfs/dbraw/zinc/24/99/65/640249965.db2.gz SNGYTCRIZDQYJS-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051472 640255259 /nfs/dbraw/zinc/25/52/59/640255259.db2.gz JBGAYRSSMIOGGC-CQSZACIVSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051472 640255265 /nfs/dbraw/zinc/25/52/65/640255265.db2.gz JBGAYRSSMIOGGC-CQSZACIVSA-N 2 2 261.413 2.456 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000843054622 640257542 /nfs/dbraw/zinc/25/75/42/640257542.db2.gz XBTMFJWGFQWPPR-CABCVRRESA-N 2 2 260.381 2.335 20 10 CECDLP Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000843054622 640257546 /nfs/dbraw/zinc/25/75/46/640257546.db2.gz XBTMFJWGFQWPPR-CABCVRRESA-N 2 2 260.381 2.335 20 10 CECDLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1[NH3+] ZINC000843376553 640410701 /nfs/dbraw/zinc/41/07/01/640410701.db2.gz AXEXLBAIKFXIGQ-ABAIWWIYSA-N 2 2 294.370 2.293 20 10 CECDLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1[NH3+] ZINC000843376553 640410706 /nfs/dbraw/zinc/41/07/06/640410706.db2.gz AXEXLBAIKFXIGQ-ABAIWWIYSA-N 2 2 294.370 2.293 20 10 CECDLP Oc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848930846 642200524 /nfs/dbraw/zinc/20/05/24/642200524.db2.gz XQWGJSMDGUXGFG-MRXNPFEDSA-N 2 2 290.407 2.079 20 10 CECDLP Cc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877706479 650862655 /nfs/dbraw/zinc/86/26/55/650862655.db2.gz MHHFMJUBSWVNMX-OAHLLOKOSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877706479 650862661 /nfs/dbraw/zinc/86/26/61/650862661.db2.gz MHHFMJUBSWVNMX-OAHLLOKOSA-N 2 2 260.381 2.227 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863483203 646739544 /nfs/dbraw/zinc/73/95/44/646739544.db2.gz QZYDZUXIQPCSLN-HNNXBMFYSA-N 2 2 259.397 2.127 20 10 CECDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484251 646740232 /nfs/dbraw/zinc/74/02/32/646740232.db2.gz IOYIEKYRHGTKBV-WCQYABFASA-N 2 2 265.376 2.122 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000863542893 646752210 /nfs/dbraw/zinc/75/22/10/646752210.db2.gz IAOCHCJQAWWNER-LEWSCRJBSA-N 2 2 264.369 2.192 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000863643620 646776091 /nfs/dbraw/zinc/77/60/91/646776091.db2.gz QBYVIHAOROFZJH-MRXNPFEDSA-N 2 2 273.424 2.435 20 10 CECDLP C[NH+](C)C1CC([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706812847 809855603 /nfs/dbraw/zinc/85/56/03/809855603.db2.gz CVPGVXZKDRLWJZ-UHFFFAOYSA-N 2 2 299.212 2.337 20 10 CECDLP CCc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000691516445 811991300 /nfs/dbraw/zinc/99/13/00/811991300.db2.gz XVAKJJCOOORHBQ-GFCCVEGCSA-N 2 2 259.353 2.329 20 10 CECDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131037 815736010 /nfs/dbraw/zinc/73/60/10/815736010.db2.gz NRQPEMYSEBPJMV-OKILXGFUSA-N 2 2 278.371 2.305 20 10 CECDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131037 815736015 /nfs/dbraw/zinc/73/60/15/815736015.db2.gz NRQPEMYSEBPJMV-OKILXGFUSA-N 2 2 278.371 2.305 20 10 CECDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131037 815736019 /nfs/dbraw/zinc/73/60/19/815736019.db2.gz NRQPEMYSEBPJMV-OKILXGFUSA-N 2 2 278.371 2.305 20 10 CECDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131037 815736024 /nfs/dbraw/zinc/73/60/24/815736024.db2.gz NRQPEMYSEBPJMV-OKILXGFUSA-N 2 2 278.371 2.305 20 10 CECDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341836 816238609 /nfs/dbraw/zinc/23/86/09/816238609.db2.gz JPRLPIVTAPLWCG-IAQYHMDHSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341836 816238613 /nfs/dbraw/zinc/23/86/13/816238613.db2.gz JPRLPIVTAPLWCG-IAQYHMDHSA-N 2 2 280.799 2.429 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368102827 373219735 /nfs/dbraw/zinc/21/97/35/373219735.db2.gz QAHYOHIDGKPKSX-WDEREUQCSA-N 2 2 287.363 2.332 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368102827 373219739 /nfs/dbraw/zinc/21/97/39/373219739.db2.gz QAHYOHIDGKPKSX-WDEREUQCSA-N 2 2 287.363 2.332 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216493 380197382 /nfs/dbraw/zinc/19/73/82/380197382.db2.gz PSJLDLAYCHXTTN-HZMBPMFUSA-N 2 2 264.344 2.467 20 10 CECDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179570101 395197108 /nfs/dbraw/zinc/19/71/08/395197108.db2.gz YBOACYYPLBSFEW-UHFFFAOYSA-N 2 2 299.374 2.118 20 10 CECDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362683 173151439 /nfs/dbraw/zinc/15/14/39/173151439.db2.gz QGICMMRQJHPZSM-HNNXBMFYSA-N 2 2 260.381 2.195 20 10 CECDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362683 173151442 /nfs/dbraw/zinc/15/14/42/173151442.db2.gz QGICMMRQJHPZSM-HNNXBMFYSA-N 2 2 260.381 2.195 20 10 CECDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000184693361 262026028 /nfs/dbraw/zinc/02/60/28/262026028.db2.gz NQVLTMOVFFOIBU-NSHDSACASA-N 2 2 298.814 2.438 20 10 CECDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000184693361 262026030 /nfs/dbraw/zinc/02/60/30/262026030.db2.gz NQVLTMOVFFOIBU-NSHDSACASA-N 2 2 298.814 2.438 20 10 CECDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185145268 262043940 /nfs/dbraw/zinc/04/39/40/262043940.db2.gz QUZCRKYCZXXKGQ-LBPRGKRZSA-N 2 2 296.386 2.293 20 10 CECDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000185504743 262056843 /nfs/dbraw/zinc/05/68/43/262056843.db2.gz GQSGABZFUCWGEE-CABCVRRESA-N 2 2 292.423 2.320 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1O ZINC000377409038 329014565 /nfs/dbraw/zinc/01/45/65/329014565.db2.gz HIJMHBPETGSBGM-MNOVXSKESA-N 2 2 257.337 2.323 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1O ZINC000377409038 329014566 /nfs/dbraw/zinc/01/45/66/329014566.db2.gz HIJMHBPETGSBGM-MNOVXSKESA-N 2 2 257.337 2.323 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1F ZINC000740004438 574938727 /nfs/dbraw/zinc/93/87/27/574938727.db2.gz NDZBNFYQFBLQQF-AWEZNQCLSA-N 2 2 279.403 2.466 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1F ZINC000740004438 574938729 /nfs/dbraw/zinc/93/87/29/574938729.db2.gz NDZBNFYQFBLQQF-AWEZNQCLSA-N 2 2 279.403 2.466 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841034457 631840791 /nfs/dbraw/zinc/84/07/91/631840791.db2.gz BLBIYADAKLRTDH-SECBINFHSA-N 2 2 272.751 2.274 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841034463 631841367 /nfs/dbraw/zinc/84/13/67/631841367.db2.gz BLBIYADAKLRTDH-VIFPVBQESA-N 2 2 272.751 2.274 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817895038 633756509 /nfs/dbraw/zinc/75/65/09/633756509.db2.gz SZDASKODWMCHAM-CZUORRHYSA-N 2 2 261.413 2.291 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941820 633789597 /nfs/dbraw/zinc/78/95/97/633789597.db2.gz LBOKTBOSLFEVOX-CXAGYDPISA-N 2 2 284.407 2.498 20 10 CECDLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817951976 633795597 /nfs/dbraw/zinc/79/55/97/633795597.db2.gz MBZVARDEHAAEEN-VIFPVBQESA-N 2 2 287.201 2.415 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1O ZINC000817975811 633818214 /nfs/dbraw/zinc/81/82/14/633818214.db2.gz CHJQIYDWUOIKKX-GVXVVHGQSA-N 2 2 252.333 2.133 20 10 CECDLP c1cc2c(cc1C[NH2+][C@@]13CCC[C@H]1[NH2+]CC3)CCCO2 ZINC000904383737 635606149 /nfs/dbraw/zinc/60/61/49/635606149.db2.gz CZHJMRKMGWJXPR-IAGOWNOFSA-N 2 2 272.392 2.386 20 10 CECDLP COC[C@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCC[NH2+]1 ZINC000841067092 639642537 /nfs/dbraw/zinc/64/25/37/639642537.db2.gz KAKLEPPOBWDIGK-OAHLLOKOSA-N 2 2 298.814 2.212 20 10 CECDLP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000841085052 639649856 /nfs/dbraw/zinc/64/98/56/639649856.db2.gz SVYIYKRXSMRIKO-KOLCDFICSA-N 2 2 299.212 2.372 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841086464 639652091 /nfs/dbraw/zinc/65/20/91/639652091.db2.gz OGZDGACGZYTTTE-GFCCVEGCSA-N 2 2 284.787 2.284 20 10 CECDLP Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311210128 639887105 /nfs/dbraw/zinc/88/71/05/639887105.db2.gz KZKNJEBSCHJXAB-GWCFXTLKSA-N 2 2 266.772 2.229 20 10 CECDLP C[NH2+]C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843049324 640253895 /nfs/dbraw/zinc/25/38/95/640253895.db2.gz KHYYEIMUTUGNFU-UHFFFAOYSA-N 2 2 265.376 2.076 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000843054290 640257428 /nfs/dbraw/zinc/25/74/28/640257428.db2.gz JCOIJXRXKOQPKK-MRXNPFEDSA-N 2 2 261.413 2.456 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000843054290 640257434 /nfs/dbraw/zinc/25/74/34/640257434.db2.gz JCOIJXRXKOQPKK-MRXNPFEDSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1O ZINC000843058520 640261604 /nfs/dbraw/zinc/26/16/04/640261604.db2.gz VBMSODVKMFUOCS-NXEZZACHSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1O ZINC000843058520 640261609 /nfs/dbraw/zinc/26/16/09/640261609.db2.gz VBMSODVKMFUOCS-NXEZZACHSA-N 2 2 254.761 2.215 20 10 CECDLP [NH3+]CC1(CC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000844902945 640861343 /nfs/dbraw/zinc/86/13/43/640861343.db2.gz YIAZDXCMOAZFKZ-UHFFFAOYSA-N 2 2 299.212 2.373 20 10 CECDLP Oc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848575653 642063714 /nfs/dbraw/zinc/06/37/14/642063714.db2.gz URHHWBSKPCTISU-LSDHHAIUSA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848575653 642063717 /nfs/dbraw/zinc/06/37/17/642063717.db2.gz URHHWBSKPCTISU-LSDHHAIUSA-N 2 2 260.381 2.499 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000853245931 643720428 /nfs/dbraw/zinc/72/04/28/643720428.db2.gz CYVSZSMNVRBABA-ARJAWSKDSA-N 2 2 271.408 2.107 20 10 CECDLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1O ZINC000854227851 644017660 /nfs/dbraw/zinc/01/76/60/644017660.db2.gz RRVZFSNBLICUME-IQYSWEBNSA-N 2 2 264.344 2.324 20 10 CECDLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2ccccc2c1O ZINC000756557841 644665734 /nfs/dbraw/zinc/66/57/34/644665734.db2.gz WQQGIXCHHBKDPL-GXTWGEPZSA-N 2 2 288.391 2.119 20 10 CECDLP COc1cc(O)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000843056759 644767079 /nfs/dbraw/zinc/76/70/79/644767079.db2.gz ZIDVFBBBPFKHMW-CYBMUJFWSA-N 2 2 296.411 2.215 20 10 CECDLP COc1cc(O)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000843056759 644767080 /nfs/dbraw/zinc/76/70/80/644767080.db2.gz ZIDVFBBBPFKHMW-CYBMUJFWSA-N 2 2 296.411 2.215 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863485021 646740427 /nfs/dbraw/zinc/74/04/27/646740427.db2.gz RMAWKRICZOOXKB-XJKSGUPXSA-N 2 2 292.423 2.462 20 10 CECDLP Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](C)[NH3+])c1O ZINC000863652798 646773589 /nfs/dbraw/zinc/77/35/89/646773589.db2.gz XBFLYKJDZATWBS-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)cc(C[N@H+](C)C[C@@H](C)[NH3+])c1O ZINC000863652798 646773592 /nfs/dbraw/zinc/77/35/92/646773592.db2.gz XBFLYKJDZATWBS-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650591 646777013 /nfs/dbraw/zinc/77/70/13/646777013.db2.gz WASOWMFZVSCUTO-PJFORWJISA-N 2 2 273.424 2.496 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873232023 649603396 /nfs/dbraw/zinc/60/33/96/649603396.db2.gz TYMYMJHVAJHBLX-IRXDYDNUSA-N 2 2 273.424 2.435 20 10 CECDLP CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236030729 807944876 /nfs/dbraw/zinc/94/48/76/807944876.db2.gz RYSOBRBILCETIY-MLGOLLRUSA-N 2 2 260.381 2.223 20 10 CECDLP CC(C)(C)c1cccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236030729 807944880 /nfs/dbraw/zinc/94/48/80/807944880.db2.gz RYSOBRBILCETIY-MLGOLLRUSA-N 2 2 260.381 2.223 20 10 CECDLP COCC[N@H+](Cc1ccc(C)cc1O)C1CC[NH+](C)CC1 ZINC001140949550 816422043 /nfs/dbraw/zinc/42/20/43/816422043.db2.gz DJQDWNSABFXBIK-UHFFFAOYSA-N 2 2 292.423 2.243 20 10 CECDLP COCC[N@@H+](Cc1ccc(C)cc1O)C1CC[NH+](C)CC1 ZINC001140949550 816422047 /nfs/dbraw/zinc/42/20/47/816422047.db2.gz DJQDWNSABFXBIK-UHFFFAOYSA-N 2 2 292.423 2.243 20 10 CECDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000062745786 299272115 /nfs/dbraw/zinc/27/21/15/299272115.db2.gz OTBPMEROWZAUEQ-JTQLQIEISA-N 2 2 252.333 2.276 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272267703 373397581 /nfs/dbraw/zinc/39/75/81/373397581.db2.gz BHWSAPQRFQTZKG-RDJZCZTQSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272267703 373397589 /nfs/dbraw/zinc/39/75/89/373397589.db2.gz BHWSAPQRFQTZKG-RDJZCZTQSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272267703 373397598 /nfs/dbraw/zinc/39/75/98/373397598.db2.gz BHWSAPQRFQTZKG-RDJZCZTQSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272267703 373397606 /nfs/dbraw/zinc/39/76/06/373397606.db2.gz BHWSAPQRFQTZKG-RDJZCZTQSA-N 2 2 273.424 2.279 20 10 CECDLP CCOc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272700955 373620792 /nfs/dbraw/zinc/62/07/92/373620792.db2.gz YQMGXUFWANMAGS-UKRRQHHQSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272700955 373620798 /nfs/dbraw/zinc/62/07/98/373620798.db2.gz YQMGXUFWANMAGS-UKRRQHHQSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272700955 373620801 /nfs/dbraw/zinc/62/08/01/373620801.db2.gz YQMGXUFWANMAGS-UKRRQHHQSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272700955 373620805 /nfs/dbraw/zinc/62/08/05/373620805.db2.gz YQMGXUFWANMAGS-UKRRQHHQSA-N 2 2 290.407 2.317 20 10 CECDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259466 290158119 /nfs/dbraw/zinc/15/81/19/290158119.db2.gz AMCHDPVRHSUXIO-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259466 290158123 /nfs/dbraw/zinc/15/81/23/290158123.db2.gz AMCHDPVRHSUXIO-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259466 290158124 /nfs/dbraw/zinc/15/81/24/290158124.db2.gz AMCHDPVRHSUXIO-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259466 290158127 /nfs/dbraw/zinc/15/81/27/290158127.db2.gz AMCHDPVRHSUXIO-BXUZGUMPSA-N 2 2 264.344 2.057 20 10 CECDLP CC[C@H]([NH2+]CC[N@H+](C)CCOC)c1ccc(C)cc1O ZINC000280251822 522591607 /nfs/dbraw/zinc/59/16/07/522591607.db2.gz WREKQGVUEOOAST-HNNXBMFYSA-N 2 2 280.412 2.320 20 10 CECDLP CC[C@H]([NH2+]CC[N@@H+](C)CCOC)c1ccc(C)cc1O ZINC000280251822 522591614 /nfs/dbraw/zinc/59/16/14/522591614.db2.gz WREKQGVUEOOAST-HNNXBMFYSA-N 2 2 280.412 2.320 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000278538643 524017630 /nfs/dbraw/zinc/01/76/30/524017630.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 2 2 266.772 2.039 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000278538643 524017634 /nfs/dbraw/zinc/01/76/34/524017634.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000278538643 524017638 /nfs/dbraw/zinc/01/76/38/524017638.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC000278538643 524017641 /nfs/dbraw/zinc/01/76/41/524017641.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 2 2 266.772 2.039 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000747853688 575175909 /nfs/dbraw/zinc/17/59/09/575175909.db2.gz AQEZPNKTVHSBNL-MRXNPFEDSA-N 2 2 292.423 2.416 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000747853688 575175910 /nfs/dbraw/zinc/17/59/10/575175910.db2.gz AQEZPNKTVHSBNL-MRXNPFEDSA-N 2 2 292.423 2.416 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902449058 634672455 /nfs/dbraw/zinc/67/24/55/634672455.db2.gz LKJKSMMCIKKLAY-YGRLFVJLSA-N 2 2 264.369 2.049 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(F)c1O ZINC000925787234 628828027 /nfs/dbraw/zinc/82/80/27/628828027.db2.gz XTPVAXXUDAELLY-UTLUCORTSA-N 2 2 270.323 2.177 20 10 CECDLP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)cc(F)c1O ZINC000902486103 634702650 /nfs/dbraw/zinc/70/26/50/634702650.db2.gz PMSABIZTQYONKM-NRPADANISA-N 2 2 256.296 2.058 20 10 CECDLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041788 632270467 /nfs/dbraw/zinc/27/04/67/632270467.db2.gz CDETVEOJHDYLAB-QGZVFWFLSA-N 2 2 284.407 2.246 20 10 CECDLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941443 633789908 /nfs/dbraw/zinc/78/99/08/633789908.db2.gz QHJACSDRZYVOLU-ONGXEEELSA-N 2 2 254.761 2.448 20 10 CECDLP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952018 633795990 /nfs/dbraw/zinc/79/59/90/633795990.db2.gz MVESDTPSQWGSNJ-GXSJLCMTSA-N 2 2 252.333 2.279 20 10 CECDLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817960930 633803364 /nfs/dbraw/zinc/80/33/64/633803364.db2.gz UPNMRDLHAVKRBC-LLVKDONJSA-N 2 2 294.395 2.347 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1O ZINC000817964531 633805727 /nfs/dbraw/zinc/80/57/27/633805727.db2.gz BZXGQFBYDDZJLN-JVXZTZIISA-N 2 2 256.296 2.058 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1O ZINC000817975810 633818786 /nfs/dbraw/zinc/81/87/86/633818786.db2.gz CHJQIYDWUOIKKX-GMXVVIOVSA-N 2 2 252.333 2.133 20 10 CECDLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2c1c(F)ccc2O ZINC000817977066 633819665 /nfs/dbraw/zinc/81/96/65/633819665.db2.gz ZXVCZBRIISPTSD-GMOBBJLQSA-N 2 2 282.334 2.369 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954537 635387766 /nfs/dbraw/zinc/38/77/66/635387766.db2.gz DSNJBSYYMUGBFV-JTQLQIEISA-N 2 2 290.741 2.380 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964069 635398214 /nfs/dbraw/zinc/39/82/14/635398214.db2.gz KVBQPXLQTFVWNS-BXKDBHETSA-N 2 2 299.212 2.161 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1O ZINC000824564302 635453036 /nfs/dbraw/zinc/45/30/36/635453036.db2.gz IKGCEUZATPBFRM-GOEBONIOSA-N 2 2 292.423 2.280 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1O ZINC000824564302 635453039 /nfs/dbraw/zinc/45/30/39/635453039.db2.gz IKGCEUZATPBFRM-GOEBONIOSA-N 2 2 292.423 2.280 20 10 CECDLP c1cc2c(cc1C[NH2+][C@]13CCC[C@H]1[NH2+]CC3)CCCO2 ZINC000904383739 635605930 /nfs/dbraw/zinc/60/59/30/635605930.db2.gz CZHJMRKMGWJXPR-SJORKVTESA-N 2 2 272.392 2.386 20 10 CECDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000044534555 639323218 /nfs/dbraw/zinc/32/32/18/639323218.db2.gz PMEPOXUALPKRMS-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000044534555 639323225 /nfs/dbraw/zinc/32/32/25/639323225.db2.gz PMEPOXUALPKRMS-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP CCOc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000841033372 639625621 /nfs/dbraw/zinc/62/56/21/639625621.db2.gz SESBBQDESRCZGS-CYBMUJFWSA-N 2 2 264.369 2.023 20 10 CECDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841065527 639641230 /nfs/dbraw/zinc/64/12/30/639641230.db2.gz DUBJYTKQNZIBPP-LBPRGKRZSA-N 2 2 292.383 2.022 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)ccc1OC ZINC000841088802 639653019 /nfs/dbraw/zinc/65/30/19/639653019.db2.gz CMHQFZMSAQYKHL-MRXNPFEDSA-N 2 2 292.423 2.463 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841104925 639675833 /nfs/dbraw/zinc/67/58/33/639675833.db2.gz AWCMIWTVQPBMGK-KRWDZBQOSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841104925 639675954 /nfs/dbraw/zinc/67/59/54/639675954.db2.gz AWCMIWTVQPBMGK-KRWDZBQOSA-N 2 2 273.424 2.389 20 10 CECDLP CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1[NH3+] ZINC000843376554 640410572 /nfs/dbraw/zinc/41/05/72/640410572.db2.gz AXEXLBAIKFXIGQ-IAQYHMDHSA-N 2 2 294.370 2.293 20 10 CECDLP CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1[NH3+] ZINC000843376554 640410575 /nfs/dbraw/zinc/41/05/75/640410575.db2.gz AXEXLBAIKFXIGQ-IAQYHMDHSA-N 2 2 294.370 2.293 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CC([NH3+])C2)c1O ZINC000843387532 640413820 /nfs/dbraw/zinc/41/38/20/640413820.db2.gz LLLQUUGZQQBJKE-UHFFFAOYSA-N 2 2 282.771 2.170 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CC([NH3+])C2)c1O ZINC000843387532 640413822 /nfs/dbraw/zinc/41/38/22/640413822.db2.gz LLLQUUGZQQBJKE-UHFFFAOYSA-N 2 2 282.771 2.170 20 10 CECDLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)ccc1N(C)C ZINC000923432030 643710268 /nfs/dbraw/zinc/71/02/68/643710268.db2.gz ZVIGOWFFFOUXLA-OAHLLOKOSA-N 2 2 261.413 2.230 20 10 CECDLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)ccc1N(C)C ZINC000923432030 643710269 /nfs/dbraw/zinc/71/02/69/643710269.db2.gz ZVIGOWFFFOUXLA-OAHLLOKOSA-N 2 2 261.413 2.230 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485618 646740389 /nfs/dbraw/zinc/74/03/89/646740389.db2.gz NUGJQGWNDDXUKB-BXKDBHETSA-N 2 2 299.212 2.385 20 10 CECDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000863651952 646778137 /nfs/dbraw/zinc/77/81/37/646778137.db2.gz MQWWOWNJFARQPS-KJJZUGDZSA-N 2 2 259.397 2.106 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000778190068 647207702 /nfs/dbraw/zinc/20/77/02/647207702.db2.gz UYWIKLRXZJHDCO-CYBMUJFWSA-N 2 2 288.370 2.193 20 10 CECDLP C[NH+](C)CCC[NH2+]Cc1c(O)cccc1Br ZINC000706863868 809858887 /nfs/dbraw/zinc/85/88/87/809858887.db2.gz UWBHMZBNOGSTPS-UHFFFAOYSA-N 2 2 287.201 2.196 20 10 CECDLP C[N@@H+](Cc1cc(F)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC000708432896 809931488 /nfs/dbraw/zinc/93/14/88/809931488.db2.gz FYRMTVCDSNGPCX-UHFFFAOYSA-N 2 2 284.350 2.444 20 10 CECDLP C[N@H+](Cc1cc(F)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC000708432896 809931493 /nfs/dbraw/zinc/93/14/93/809931493.db2.gz FYRMTVCDSNGPCX-UHFFFAOYSA-N 2 2 284.350 2.444 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272261099 373392320 /nfs/dbraw/zinc/39/23/20/373392320.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272261099 373392325 /nfs/dbraw/zinc/39/23/25/373392325.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272261099 373392334 /nfs/dbraw/zinc/39/23/34/373392334.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272261099 373392342 /nfs/dbraw/zinc/39/23/42/373392342.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000037228657 173048795 /nfs/dbraw/zinc/04/87/95/173048795.db2.gz NGQUMTYTFRZCAB-CQSZACIVSA-N 2 2 261.413 2.499 20 10 CECDLP CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000369612422 267254112 /nfs/dbraw/zinc/25/41/12/267254112.db2.gz IAZUKXYYBZTXNP-HIFRSBDPSA-N 2 2 278.396 2.106 20 10 CECDLP CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000369612422 267254115 /nfs/dbraw/zinc/25/41/15/267254115.db2.gz IAZUKXYYBZTXNP-HIFRSBDPSA-N 2 2 278.396 2.106 20 10 CECDLP CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000369612421 267254535 /nfs/dbraw/zinc/25/45/35/267254535.db2.gz IAZUKXYYBZTXNP-DZGCQCFKSA-N 2 2 278.396 2.106 20 10 CECDLP CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000369612421 267254536 /nfs/dbraw/zinc/25/45/36/267254536.db2.gz IAZUKXYYBZTXNP-DZGCQCFKSA-N 2 2 278.396 2.106 20 10 CECDLP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000311457459 627666770 /nfs/dbraw/zinc/66/67/70/627666770.db2.gz UVJMOZKHNLFYBZ-OAHLLOKOSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000311457459 627666773 /nfs/dbraw/zinc/66/67/73/627666773.db2.gz UVJMOZKHNLFYBZ-OAHLLOKOSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)c2c1c(F)ccc2O ZINC000902406119 634620455 /nfs/dbraw/zinc/62/04/55/634620455.db2.gz LTSKDBWQBAQYGC-PSASIEDQSA-N 2 2 250.317 2.161 20 10 CECDLP [NH3+][C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000841036851 631981113 /nfs/dbraw/zinc/98/11/13/631981113.db2.gz NLAHDSUWSRRKAW-INIZCTEOSA-N 2 2 268.360 2.411 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841065022 632396862 /nfs/dbraw/zinc/39/68/62/632396862.db2.gz LGTATRYFPZOMNF-FZMZJTMJSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841065024 632398397 /nfs/dbraw/zinc/39/83/97/632398397.db2.gz LGTATRYFPZOMNF-SMDDNHRTSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]1 ZINC000817900615 633761327 /nfs/dbraw/zinc/76/13/27/633761327.db2.gz OPWNDVQHCHIXFA-BBRMVZONSA-N 2 2 273.424 2.299 20 10 CECDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944429 633790948 /nfs/dbraw/zinc/79/09/48/633790948.db2.gz BSKMDTSUETVQDL-YWVKMMECSA-N 2 2 250.317 2.031 20 10 CECDLP Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C[NH3+])c1O ZINC000817966749 633810339 /nfs/dbraw/zinc/81/03/39/633810339.db2.gz VBHDUXMXQCNFIH-BDAKNGLRSA-N 2 2 287.201 2.461 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C)cc1O ZINC000817975760 633818673 /nfs/dbraw/zinc/81/86/73/633818673.db2.gz BAPUWFBSENIEGH-OBJOEFQTSA-N 2 2 266.360 2.441 20 10 CECDLP COC[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975887 633819075 /nfs/dbraw/zinc/81/90/75/633819075.db2.gz ZFQJCUFJJWNQEJ-ABAIWWIYSA-N 2 2 298.814 2.465 20 10 CECDLP C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1O ZINC000817977938 633821488 /nfs/dbraw/zinc/82/14/88/633821488.db2.gz RVAPVPJSADPCBV-BXSSEVMYSA-N 2 2 286.297 2.279 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841086324 637509929 /nfs/dbraw/zinc/50/99/29/637509929.db2.gz MZUJVJZPJHHUFF-CYBMUJFWSA-N 2 2 264.369 2.021 20 10 CECDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841029949 639614768 /nfs/dbraw/zinc/61/47/68/639614768.db2.gz PMTNUJUIDLZPOW-NSHDSACASA-N 2 2 287.201 2.228 20 10 CECDLP COc1ccc(O)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000841034110 639626565 /nfs/dbraw/zinc/62/65/65/639626565.db2.gz ALMFMWMMNQMCHB-HNNXBMFYSA-N 2 2 272.348 2.190 20 10 CECDLP CCC[NH2+]CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841046393 639630955 /nfs/dbraw/zinc/63/09/55/639630955.db2.gz DHIRKOFFBFQFIE-UHFFFAOYSA-N 2 2 272.776 2.143 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC000841061176 639636678 /nfs/dbraw/zinc/63/66/78/639636678.db2.gz FWGQDNUZVGBHAB-GXSJLCMTSA-N 2 2 254.761 2.276 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1F ZINC000841091170 639652996 /nfs/dbraw/zinc/65/29/96/639652996.db2.gz UVYZDMQUMUQTKW-CYBMUJFWSA-N 2 2 265.376 2.123 20 10 CECDLP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000843044719 640249689 /nfs/dbraw/zinc/24/96/89/640249689.db2.gz GHEHQPMUJDQNGN-WCQYABFASA-N 2 2 294.395 2.111 20 10 CECDLP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000843044719 640249690 /nfs/dbraw/zinc/24/96/90/640249690.db2.gz GHEHQPMUJDQNGN-WCQYABFASA-N 2 2 294.395 2.111 20 10 CECDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843047788 640252355 /nfs/dbraw/zinc/25/23/55/640252355.db2.gz VGTMKOIJZZQGSI-JTQLQIEISA-N 2 2 254.761 2.216 20 10 CECDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843047788 640252358 /nfs/dbraw/zinc/25/23/58/640252358.db2.gz VGTMKOIJZZQGSI-JTQLQIEISA-N 2 2 254.761 2.216 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058484 640261136 /nfs/dbraw/zinc/26/11/36/640261136.db2.gz UIAHEKIYZLQXAF-NXEZZACHSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058484 640261139 /nfs/dbraw/zinc/26/11/39/640261139.db2.gz UIAHEKIYZLQXAF-NXEZZACHSA-N 2 2 254.761 2.215 20 10 CECDLP Cc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1N(C)C ZINC000846875071 641463463 /nfs/dbraw/zinc/46/34/63/641463463.db2.gz CPZQVCRDJCDYCA-UHFFFAOYSA-N 2 2 299.422 2.106 20 10 CECDLP CCc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000848903883 642181807 /nfs/dbraw/zinc/18/18/07/642181807.db2.gz GGBXLCTXBHVSQW-AWEZNQCLSA-N 2 2 271.364 2.256 20 10 CECDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832298 642704928 /nfs/dbraw/zinc/70/49/28/642704928.db2.gz JJWJUDWQDHLFOL-CJNGLKHVSA-N 2 2 274.408 2.441 20 10 CECDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832298 642704935 /nfs/dbraw/zinc/70/49/35/642704935.db2.gz JJWJUDWQDHLFOL-CJNGLKHVSA-N 2 2 274.408 2.441 20 10 CECDLP CCOc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230015 649601626 /nfs/dbraw/zinc/60/16/26/649601626.db2.gz KWGDYYVHESDAQA-GOEBONIOSA-N 2 2 276.380 2.165 20 10 CECDLP CCN(CC)c1ccc(C[N@H+](CC)CC[NH2+]C)c(O)c1 ZINC001236142251 807995754 /nfs/dbraw/zinc/99/57/54/807995754.db2.gz BJQWKIQXZVYLSG-UHFFFAOYSA-N 2 2 279.428 2.280 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+](CC)CC[NH2+]C)c(O)c1 ZINC001236142251 807995758 /nfs/dbraw/zinc/99/57/58/807995758.db2.gz BJQWKIQXZVYLSG-UHFFFAOYSA-N 2 2 279.428 2.280 20 10 CECDLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922016949 809011653 /nfs/dbraw/zinc/01/16/53/809011653.db2.gz KNUQICHLBJUCPC-HNNXBMFYSA-N 2 2 283.375 2.313 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1F ZINC001206174790 815492546 /nfs/dbraw/zinc/49/25/46/815492546.db2.gz PNCNDABTOPXKRC-VXGBXAGGSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@H]1F ZINC001206174790 815492549 /nfs/dbraw/zinc/49/25/49/815492549.db2.gz PNCNDABTOPXKRC-VXGBXAGGSA-N 2 2 272.751 2.307 20 10 CECDLP Cc1c(O)ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC001140749349 816343982 /nfs/dbraw/zinc/34/39/82/816343982.db2.gz WHYAHPLLIIRVNT-UHFFFAOYSA-N 2 2 287.363 2.440 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000273363267 292014245 /nfs/dbraw/zinc/01/42/45/292014245.db2.gz AUFQVJNPHHBURH-NEPJUHHUSA-N 2 2 294.395 2.170 20 10 CECDLP C[C@H](C[NH2+]Cc1c(O)cccc1Cl)C[NH+]1CCOCC1 ZINC000120293556 394777182 /nfs/dbraw/zinc/77/71/82/394777182.db2.gz OMARJPGEFXYGLO-GFCCVEGCSA-N 2 2 298.814 2.104 20 10 CECDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183448858 395256156 /nfs/dbraw/zinc/25/61/56/395256156.db2.gz VBKKIGXBIHAZTI-ZDUSSCGKSA-N 2 2 278.396 2.154 20 10 CECDLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C[NH+](C)C ZINC000293387637 524500760 /nfs/dbraw/zinc/50/07/60/524500760.db2.gz ISPHMYNNJISUTK-GHMZBOCLSA-N 2 2 254.349 2.380 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368220346 526366074 /nfs/dbraw/zinc/36/60/74/526366074.db2.gz FLPPKHIVEULOIV-SECBINFHSA-N 2 2 277.755 2.416 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368220346 526366078 /nfs/dbraw/zinc/36/60/78/526366078.db2.gz FLPPKHIVEULOIV-SECBINFHSA-N 2 2 277.755 2.416 20 10 CECDLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccccc1 ZINC000312374247 628249871 /nfs/dbraw/zinc/24/98/71/628249871.db2.gz ITMVLICYTCFLGX-JKSUJKDBSA-N 2 2 268.360 2.319 20 10 CECDLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccccc1 ZINC000312374247 628249872 /nfs/dbraw/zinc/24/98/72/628249872.db2.gz ITMVLICYTCFLGX-JKSUJKDBSA-N 2 2 268.360 2.319 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449411 634672385 /nfs/dbraw/zinc/67/23/85/634672385.db2.gz OCKSYPBVVWOCHX-NOZJJQNGSA-N 2 2 252.333 2.180 20 10 CECDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000219940164 628818920 /nfs/dbraw/zinc/81/89/20/628818920.db2.gz DSBJMJUPQOJOOU-JTQLQIEISA-N 2 2 299.212 2.196 20 10 CECDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000219940164 628818924 /nfs/dbraw/zinc/81/89/24/628818924.db2.gz DSBJMJUPQOJOOU-JTQLQIEISA-N 2 2 299.212 2.196 20 10 CECDLP COc1cc(C)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000894173972 629189454 /nfs/dbraw/zinc/18/94/54/629189454.db2.gz MRKKCKMRZJOGNU-GFCCVEGCSA-N 2 2 275.352 2.084 20 10 CECDLP COC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000817939518 633788653 /nfs/dbraw/zinc/78/86/53/633788653.db2.gz CAGXBVGVFQIDDP-HOTGVXAUSA-N 2 2 279.428 2.013 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941824 633789653 /nfs/dbraw/zinc/78/96/53/633789653.db2.gz LBOKTBOSLFEVOX-GUYCJALGSA-N 2 2 284.407 2.498 20 10 CECDLP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817941793 633789696 /nfs/dbraw/zinc/78/96/96/633789696.db2.gz RSRAJJDRWQNCDL-SECBINFHSA-N 2 2 270.323 2.321 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@H]1C ZINC000817943280 633790776 /nfs/dbraw/zinc/79/07/76/633790776.db2.gz TYDOUMUGTXORHW-KOZAUXTDSA-N 2 2 261.413 2.387 20 10 CECDLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(F)cc1O ZINC000817973985 633817147 /nfs/dbraw/zinc/81/71/47/633817147.db2.gz HXUAYHGURKGTMC-GOEBONIOSA-N 2 2 296.386 2.341 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(F)cc(F)c1O ZINC000817977253 633819910 /nfs/dbraw/zinc/81/99/10/633819910.db2.gz FQCVEMUFUAJRFJ-DTWKUNHWSA-N 2 2 258.312 2.448 20 10 CECDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984442 633825735 /nfs/dbraw/zinc/82/57/35/633825735.db2.gz SUUMWGRKAXASEY-JQWIXIFHSA-N 2 2 252.333 2.324 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1O ZINC000818340174 633911734 /nfs/dbraw/zinc/91/17/34/633911734.db2.gz JIRDPMPRAYZIRP-ZIAGYGMSSA-N 2 2 280.343 2.093 20 10 CECDLP Cc1cccc(C[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1O ZINC000903941968 635374103 /nfs/dbraw/zinc/37/41/03/635374103.db2.gz IHNZOLAYCCTFQK-UHFFFAOYSA-N 2 2 289.404 2.174 20 10 CECDLP Cc1cccc(C[N@H+]2CCc3sc(C[NH3+])nc3C2)c1O ZINC000903941968 635374109 /nfs/dbraw/zinc/37/41/09/635374109.db2.gz IHNZOLAYCCTFQK-UHFFFAOYSA-N 2 2 289.404 2.174 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(Cl)c1O ZINC000903975061 635392770 /nfs/dbraw/zinc/39/27/70/635392770.db2.gz VMDJQSMGAFVNQA-GHMZBOCLSA-N 2 2 268.788 2.381 20 10 CECDLP Cc1cc(O)c(C[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000825058785 635554401 /nfs/dbraw/zinc/55/44/01/635554401.db2.gz MCIKNCFCCWVVBU-UHFFFAOYSA-N 2 2 265.744 2.340 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904381590 635605601 /nfs/dbraw/zinc/60/56/01/635605601.db2.gz ZFKRUQMLOBVDPE-LSDHHAIUSA-N 2 2 260.381 2.242 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000841027503 639620028 /nfs/dbraw/zinc/62/00/28/639620028.db2.gz CLNRNMTYPFUAIN-LBPRGKRZSA-N 2 2 299.212 2.290 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000841064417 639640082 /nfs/dbraw/zinc/64/00/82/639640082.db2.gz QGXHUGDSUQVUQS-BXKDBHETSA-N 2 2 299.212 2.242 20 10 CECDLP Cc1ccc(O)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000071408745 641762944 /nfs/dbraw/zinc/76/29/44/641762944.db2.gz WMYADUIFSYTBKU-UHFFFAOYSA-N 2 2 259.353 2.467 20 10 CECDLP Cc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000877429725 650716461 /nfs/dbraw/zinc/71/64/61/650716461.db2.gz MEJRWFPMFNIPKJ-ZDUSSCGKSA-N 2 2 257.337 2.002 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000854232788 644019953 /nfs/dbraw/zinc/01/99/53/644019953.db2.gz UENFLBOZJZJWPR-RKDXNWHRSA-N 2 2 287.201 2.413 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058487 644773474 /nfs/dbraw/zinc/77/34/74/644773474.db2.gz UIAHEKIYZLQXAF-ZJUUUORDSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058487 644773477 /nfs/dbraw/zinc/77/34/77/644773477.db2.gz UIAHEKIYZLQXAF-ZJUUUORDSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000863545939 646752639 /nfs/dbraw/zinc/75/26/39/646752639.db2.gz BSKMDTSUETVQDL-NGZCFLSTSA-N 2 2 250.317 2.031 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)cc(F)c1O ZINC000873252084 649610157 /nfs/dbraw/zinc/61/01/57/649610157.db2.gz PCNGKUVGLHUOET-OYNCUSHFSA-N 2 2 256.296 2.058 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204762775 805743935 /nfs/dbraw/zinc/74/39/35/805743935.db2.gz DIQRAVIZHNANLZ-INIZCTEOSA-N 2 2 261.413 2.456 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204762775 805743940 /nfs/dbraw/zinc/74/39/40/805743940.db2.gz DIQRAVIZHNANLZ-INIZCTEOSA-N 2 2 261.413 2.456 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001118242020 814997239 /nfs/dbraw/zinc/99/72/39/814997239.db2.gz UULVZHSFMSBSHQ-QGZVFWFLSA-N 2 2 273.424 2.471 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001118242020 814997241 /nfs/dbraw/zinc/99/72/41/814997241.db2.gz UULVZHSFMSBSHQ-QGZVFWFLSA-N 2 2 273.424 2.471 20 10 CECDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037158078 815021755 /nfs/dbraw/zinc/02/17/55/815021755.db2.gz LAGIAIACILYBJX-JTQLQIEISA-N 2 2 265.744 2.420 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1O ZINC000094618484 364284305 /nfs/dbraw/zinc/28/43/05/364284305.db2.gz VZBKCRZSEROYNE-IACUBPJLSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1O ZINC000094618484 364284307 /nfs/dbraw/zinc/28/43/07/364284307.db2.gz VZBKCRZSEROYNE-IACUBPJLSA-N 2 2 294.370 2.045 20 10 CECDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368131662 394979559 /nfs/dbraw/zinc/97/95/59/394979559.db2.gz BDWKAAXSXKARIE-CYBMUJFWSA-N 2 2 257.337 2.115 20 10 CECDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000368131662 394979562 /nfs/dbraw/zinc/97/95/62/394979562.db2.gz BDWKAAXSXKARIE-CYBMUJFWSA-N 2 2 257.337 2.115 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000367688488 267108686 /nfs/dbraw/zinc/10/86/86/267108686.db2.gz OXJLUMNCIKEIMC-UHFFFAOYSA-N 2 2 276.380 2.071 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000367688488 267108689 /nfs/dbraw/zinc/10/86/89/267108689.db2.gz OXJLUMNCIKEIMC-UHFFFAOYSA-N 2 2 276.380 2.071 20 10 CECDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000377881912 329033093 /nfs/dbraw/zinc/03/30/93/329033093.db2.gz AWGPCVGKHGSTRI-NSHDSACASA-N 2 2 275.327 2.254 20 10 CECDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000377881912 329033094 /nfs/dbraw/zinc/03/30/94/329033094.db2.gz AWGPCVGKHGSTRI-NSHDSACASA-N 2 2 275.327 2.254 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000756118310 574797183 /nfs/dbraw/zinc/79/71/83/574797183.db2.gz LZZSEFVHJQLXAQ-CJNGLKHVSA-N 2 2 261.413 2.101 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000756118310 574797184 /nfs/dbraw/zinc/79/71/84/574797184.db2.gz LZZSEFVHJQLXAQ-CJNGLKHVSA-N 2 2 261.413 2.101 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000050250128 623374911 /nfs/dbraw/zinc/37/49/11/623374911.db2.gz WREXTMSOIZHJIA-SNVBAGLBSA-N 2 2 282.771 2.029 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1O ZINC000050250128 623374918 /nfs/dbraw/zinc/37/49/18/623374918.db2.gz WREXTMSOIZHJIA-SNVBAGLBSA-N 2 2 282.771 2.029 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902464642 634682982 /nfs/dbraw/zinc/68/29/82/634682982.db2.gz BAZURWOLPHESJN-WXYCVUISSA-N 2 2 259.397 2.296 20 10 CECDLP Cc1cccc(C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c1O ZINC000896298001 630521330 /nfs/dbraw/zinc/52/13/30/630521330.db2.gz GQLXCIQBSZFPNB-UHFFFAOYSA-N 2 2 271.364 2.451 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032259 631820424 /nfs/dbraw/zinc/82/04/24/631820424.db2.gz AYHVAITWERPCGN-JTQLQIEISA-N 2 2 254.761 2.135 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817895039 633756940 /nfs/dbraw/zinc/75/69/40/633756940.db2.gz SZDASKODWMCHAM-XJKSGUPXSA-N 2 2 261.413 2.291 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000817966422 633807648 /nfs/dbraw/zinc/80/76/48/633807648.db2.gz NLPVHLNKXCOHLC-HTQZYQBOSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817977252 633820557 /nfs/dbraw/zinc/82/05/57/633820557.db2.gz FQCVEMUFUAJRFJ-BDAKNGLRSA-N 2 2 258.312 2.448 20 10 CECDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834607288 637888955 /nfs/dbraw/zinc/88/89/55/637888955.db2.gz SOAICJUTTUJCBC-GXTWGEPZSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834607288 637888959 /nfs/dbraw/zinc/88/89/59/637888959.db2.gz SOAICJUTTUJCBC-GXTWGEPZSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834607290 637889247 /nfs/dbraw/zinc/88/92/47/637889247.db2.gz SOAICJUTTUJCBC-JSGCOSHPSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834607290 637889252 /nfs/dbraw/zinc/88/92/52/637889252.db2.gz SOAICJUTTUJCBC-JSGCOSHPSA-N 2 2 260.381 2.453 20 10 CECDLP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000876880806 650470361 /nfs/dbraw/zinc/47/03/61/650470361.db2.gz NDFLYANFRMITFQ-OAHLLOKOSA-N 2 2 292.423 2.147 20 10 CECDLP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000876880806 650470363 /nfs/dbraw/zinc/47/03/63/650470363.db2.gz NDFLYANFRMITFQ-OAHLLOKOSA-N 2 2 292.423 2.147 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000840934319 639591326 /nfs/dbraw/zinc/59/13/26/639591326.db2.gz ZZNRJGJKEARNTI-INIZCTEOSA-N 2 2 261.413 2.245 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000840934319 639591331 /nfs/dbraw/zinc/59/13/31/639591331.db2.gz ZZNRJGJKEARNTI-INIZCTEOSA-N 2 2 261.413 2.245 20 10 CECDLP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1O ZINC000841034454 639626334 /nfs/dbraw/zinc/62/63/34/639626334.db2.gz CMRLFKYJOYGUBD-LBPRGKRZSA-N 2 2 299.212 2.305 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2O)cc1 ZINC000841044851 639631017 /nfs/dbraw/zinc/63/10/17/639631017.db2.gz ZEDVMYBIUXFPQZ-MRXNPFEDSA-N 2 2 285.391 2.248 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000841043658 639631029 /nfs/dbraw/zinc/63/10/29/639631029.db2.gz UUKMHSCAZSIUPE-HNNXBMFYSA-N 2 2 261.413 2.374 20 10 CECDLP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000841052051 639633173 /nfs/dbraw/zinc/63/31/73/639633173.db2.gz UOEIVHSGLDLMPZ-UHFFFAOYSA-N 2 2 285.185 2.126 20 10 CECDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000841064419 639639631 /nfs/dbraw/zinc/63/96/31/639639631.db2.gz QGXHUGDSUQVUQS-JOYOIKCWSA-N 2 2 299.212 2.242 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841064745 639639959 /nfs/dbraw/zinc/63/99/59/639639959.db2.gz INTPZVITDXENPK-DGCLKSJQSA-N 2 2 264.369 2.021 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c(O)c1 ZINC000841085462 639650417 /nfs/dbraw/zinc/65/04/17/639650417.db2.gz DDWIQEDWDPRAFO-CQSZACIVSA-N 2 2 264.369 2.021 20 10 CECDLP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000843044483 640249725 /nfs/dbraw/zinc/24/97/25/640249725.db2.gz DGIYZJMHBYGQAU-HYXAFXHYSA-N 2 2 259.397 2.061 20 10 CECDLP CN(C)c1ccc(/C=C\C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000843044483 640249729 /nfs/dbraw/zinc/24/97/29/640249729.db2.gz DGIYZJMHBYGQAU-HYXAFXHYSA-N 2 2 259.397 2.061 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046344 640251444 /nfs/dbraw/zinc/25/14/44/640251444.db2.gz XCUASCRFQZALRG-DOMZBBRYSA-N 2 2 278.371 2.495 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046344 640251446 /nfs/dbraw/zinc/25/14/46/640251446.db2.gz XCUASCRFQZALRG-DOMZBBRYSA-N 2 2 278.371 2.495 20 10 CECDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051471 640254975 /nfs/dbraw/zinc/25/49/75/640254975.db2.gz JBGAYRSSMIOGGC-AWEZNQCLSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051471 640254981 /nfs/dbraw/zinc/25/49/81/640254981.db2.gz JBGAYRSSMIOGGC-AWEZNQCLSA-N 2 2 261.413 2.456 20 10 CECDLP CCC[N@H+](Cc1ccc(OCC)cc1O)[C@@H]1CC[NH2+]C1 ZINC000843052590 640256739 /nfs/dbraw/zinc/25/67/39/640256739.db2.gz OCTCLIFPLYTZDE-CQSZACIVSA-N 2 2 278.396 2.365 20 10 CECDLP CCC[N@@H+](Cc1ccc(OCC)cc1O)[C@@H]1CC[NH2+]C1 ZINC000843052590 640256740 /nfs/dbraw/zinc/25/67/40/640256740.db2.gz OCTCLIFPLYTZDE-CQSZACIVSA-N 2 2 278.396 2.365 20 10 CECDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC000843053528 640256751 /nfs/dbraw/zinc/25/67/51/640256751.db2.gz AQMVSLPNWDJIOT-YHWZYXNKSA-N 2 2 264.344 2.376 20 10 CECDLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC000843053528 640256756 /nfs/dbraw/zinc/25/67/56/640256756.db2.gz AQMVSLPNWDJIOT-YHWZYXNKSA-N 2 2 264.344 2.376 20 10 CECDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(F)c1O ZINC000843056452 640258498 /nfs/dbraw/zinc/25/84/98/640258498.db2.gz KKLIBZJTQUHSKD-ZDUSSCGKSA-N 2 2 254.349 2.337 20 10 CECDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(F)c1O ZINC000843056452 640258501 /nfs/dbraw/zinc/25/85/01/640258501.db2.gz KKLIBZJTQUHSKD-ZDUSSCGKSA-N 2 2 254.349 2.337 20 10 CECDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1O ZINC000843058521 640260857 /nfs/dbraw/zinc/26/08/57/640260857.db2.gz VBMSODVKMFUOCS-UWVGGRQHSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1O ZINC000843058521 640260860 /nfs/dbraw/zinc/26/08/60/640260860.db2.gz VBMSODVKMFUOCS-UWVGGRQHSA-N 2 2 254.761 2.215 20 10 CECDLP C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CC([NH3+])C1 ZINC000843124880 640290390 /nfs/dbraw/zinc/29/03/90/640290390.db2.gz KFVCXJDKJOHUCT-UHFFFAOYSA-N 2 2 258.724 2.106 20 10 CECDLP C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CC([NH3+])C1 ZINC000843124880 640290392 /nfs/dbraw/zinc/29/03/92/640290392.db2.gz KFVCXJDKJOHUCT-UHFFFAOYSA-N 2 2 258.724 2.106 20 10 CECDLP Cc1cc(O)c(C[N@@H+](C)C2CC([NH3+])C2)c(Cl)c1 ZINC000843124590 640291175 /nfs/dbraw/zinc/29/11/75/640291175.db2.gz CVFCAEHKCBBKEQ-UHFFFAOYSA-N 2 2 254.761 2.276 20 10 CECDLP Cc1cc(O)c(C[N@H+](C)C2CC([NH3+])C2)c(Cl)c1 ZINC000843124590 640291181 /nfs/dbraw/zinc/29/11/81/640291181.db2.gz CVFCAEHKCBBKEQ-UHFFFAOYSA-N 2 2 254.761 2.276 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843364444 640405549 /nfs/dbraw/zinc/40/55/49/640405549.db2.gz IGBOMRCSZSTVJL-ONGXEEELSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843364444 640405554 /nfs/dbraw/zinc/40/55/54/640405554.db2.gz IGBOMRCSZSTVJL-ONGXEEELSA-N 2 2 296.798 2.417 20 10 CECDLP [NH3+]C1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000849350487 642340431 /nfs/dbraw/zinc/34/04/31/642340431.db2.gz YXONGTCLSUMHFM-UHFFFAOYSA-N 2 2 254.761 2.407 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000854232786 644020247 /nfs/dbraw/zinc/02/02/47/644020247.db2.gz UENFLBOZJZJWPR-DTWKUNHWSA-N 2 2 287.201 2.413 20 10 CECDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858116630 645067042 /nfs/dbraw/zinc/06/70/42/645067042.db2.gz UCORGJUQPBVUCO-LLVKDONJSA-N 2 2 285.382 2.461 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484951 646740066 /nfs/dbraw/zinc/74/00/66/646740066.db2.gz QNNIHDOOAINSTN-DGCLKSJQSA-N 2 2 264.369 2.021 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228363 649599342 /nfs/dbraw/zinc/59/93/42/649599342.db2.gz DCLDXVDNYXWEOI-JKSUJKDBSA-N 2 2 259.397 2.127 20 10 CECDLP C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000124807062 649746024 /nfs/dbraw/zinc/74/60/24/649746024.db2.gz RGEDAIZGMMNCKR-UHFFFAOYSA-N 2 2 268.788 2.477 20 10 CECDLP CN(c1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C[NH3+] ZINC001170058751 812014045 /nfs/dbraw/zinc/01/40/45/812014045.db2.gz DMSWMHKTHMDJJX-UHFFFAOYSA-N 2 2 258.369 2.105 20 10 CECDLP CC[N@H+](C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060067 816180964 /nfs/dbraw/zinc/18/09/64/816180964.db2.gz JQUJSHWBASSKGV-UHFFFAOYSA-N 2 2 266.360 2.447 20 10 CECDLP CC[N@@H+](C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060067 816180966 /nfs/dbraw/zinc/18/09/66/816180966.db2.gz JQUJSHWBASSKGV-UHFFFAOYSA-N 2 2 266.360 2.447 20 10 CECDLP CC[NH+]1C[C@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140342571 816237382 /nfs/dbraw/zinc/23/73/82/816237382.db2.gz PPSBTMVCOXYMST-RYUDHWBXSA-N 2 2 280.799 2.429 20 10 CECDLP Oc1ccc(O)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001141155837 816488342 /nfs/dbraw/zinc/48/83/42/816488342.db2.gz LNFVLPXSDQUOEY-UHFFFAOYSA-N 2 2 276.380 2.158 20 10 CECDLP CC[N@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141159111 816490817 /nfs/dbraw/zinc/49/08/17/816490817.db2.gz ZPKQRFPGOGKTKR-UHFFFAOYSA-N 2 2 264.369 2.014 20 10 CECDLP CC[N@@H+](Cc1cc(O)ccc1O)C1CC[NH+](C)CC1 ZINC001141159111 816490819 /nfs/dbraw/zinc/49/08/19/816490819.db2.gz ZPKQRFPGOGKTKR-UHFFFAOYSA-N 2 2 264.369 2.014 20 10 CECDLP C[NH+](C)CCCC[NH2+]Cc1cccc(Cl)c1O ZINC000124750767 365659210 /nfs/dbraw/zinc/65/92/10/365659210.db2.gz VXAAMMQNFTWEMA-UHFFFAOYSA-N 2 2 256.777 2.477 20 10 CECDLP C[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000218321218 344536287 /nfs/dbraw/zinc/53/62/87/344536287.db2.gz MKOZRHXNQWCFFY-UHFFFAOYSA-N 2 2 299.212 2.339 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272261104 373393456 /nfs/dbraw/zinc/39/34/56/373393456.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272261104 373393464 /nfs/dbraw/zinc/39/34/64/373393464.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272261104 373393468 /nfs/dbraw/zinc/39/34/68/373393468.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272261104 373393477 /nfs/dbraw/zinc/39/34/77/373393477.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1O ZINC000273383853 373754017 /nfs/dbraw/zinc/75/40/17/373754017.db2.gz IVOFPZIJKWOLMX-DGCLKSJQSA-N 2 2 298.814 2.153 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2CC[NH+]3CCC2CC3)cc1C ZINC000368042827 267140939 /nfs/dbraw/zinc/14/09/39/267140939.db2.gz OLWGJUDMJGYJEW-UHFFFAOYSA-N 2 2 260.381 2.289 20 10 CECDLP Cc1cc(O)c(C[N@H+]2CC[NH+]3CCC2CC3)cc1C ZINC000368042827 267140942 /nfs/dbraw/zinc/14/09/42/267140942.db2.gz OLWGJUDMJGYJEW-UHFFFAOYSA-N 2 2 260.381 2.289 20 10 CECDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1O ZINC000062745563 525446112 /nfs/dbraw/zinc/44/61/12/525446112.db2.gz UDWPMZAVCWFWPT-LLVKDONJSA-N 2 2 263.316 2.469 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1O ZINC000062747598 525600984 /nfs/dbraw/zinc/60/09/84/525600984.db2.gz SMLHPDHBPGBXCR-WDEREUQCSA-N 2 2 263.316 2.467 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CC[NH2+]CC2)c1O ZINC000050158760 624603229 /nfs/dbraw/zinc/60/32/29/624603229.db2.gz HOFMSMSEIIVRKU-UHFFFAOYSA-N 2 2 296.798 2.432 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CC[NH2+]CC2)c1O ZINC000050158760 624603232 /nfs/dbraw/zinc/60/32/32/624603232.db2.gz HOFMSMSEIIVRKU-UHFFFAOYSA-N 2 2 296.798 2.432 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000219584592 628812536 /nfs/dbraw/zinc/81/25/36/628812536.db2.gz RLKMCHHWBWCVIU-GWCFXTLKSA-N 2 2 252.333 2.233 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000219584592 628812538 /nfs/dbraw/zinc/81/25/38/628812538.db2.gz RLKMCHHWBWCVIU-GWCFXTLKSA-N 2 2 252.333 2.233 20 10 CECDLP CC[NH+]1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896637150 630620499 /nfs/dbraw/zinc/62/04/99/630620499.db2.gz KACCXIITBQQTQZ-UHFFFAOYSA-N 2 2 252.333 2.105 20 10 CECDLP CCC[NH2+]CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841046640 632349789 /nfs/dbraw/zinc/34/97/89/632349789.db2.gz KEUSRVDXPYCRQW-AATRIKPKSA-N 2 2 261.413 2.355 20 10 CECDLP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817901733 633763124 /nfs/dbraw/zinc/76/31/24/633763124.db2.gz XTFCRDHAQHBQBF-FZMZJTMJSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817901734 633763280 /nfs/dbraw/zinc/76/32/80/633763280.db2.gz XTFCRDHAQHBQBF-RISCZKNCSA-N 2 2 265.376 2.122 20 10 CECDLP COCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943501 633790726 /nfs/dbraw/zinc/79/07/26/633790726.db2.gz URNJIFYSOSYXLT-BBRMVZONSA-N 2 2 279.428 2.157 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H]1C ZINC000817943278 633791013 /nfs/dbraw/zinc/79/10/13/633791013.db2.gz TYDOUMUGTXORHW-BHTHQVBYSA-N 2 2 261.413 2.387 20 10 CECDLP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000817944986 633792136 /nfs/dbraw/zinc/79/21/36/633792136.db2.gz QUYBGIWGOTXVMP-GXSJLCMTSA-N 2 2 299.212 2.476 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817944641 633792186 /nfs/dbraw/zinc/79/21/86/633792186.db2.gz ITGPZNDRANZWLK-ZYHUDNBSSA-N 2 2 254.761 2.448 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000817949871 633794769 /nfs/dbraw/zinc/79/47/69/633794769.db2.gz OMHAWZBAXBPGHZ-VXGBXAGGSA-N 2 2 264.369 2.194 20 10 CECDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982892 633826416 /nfs/dbraw/zinc/82/64/16/633826416.db2.gz JHFSTQMAOKGLLS-DGCLKSJQSA-N 2 2 284.787 2.075 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1O ZINC000817982979 633826925 /nfs/dbraw/zinc/82/69/25/633826925.db2.gz XEXHYKCQMOBKFN-SMDDNHRTSA-N 2 2 298.814 2.465 20 10 CECDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355012 635586977 /nfs/dbraw/zinc/58/69/77/635586977.db2.gz JSYYZLDTDMWJMZ-SWLSCSKDSA-N 2 2 260.381 2.099 20 10 CECDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000834808242 637956887 /nfs/dbraw/zinc/95/68/87/637956887.db2.gz YPFPJXSCJCUKFI-YPMHNXCESA-N 2 2 269.348 2.250 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841032622 639625340 /nfs/dbraw/zinc/62/53/40/639625340.db2.gz IDEFCBNQKZZKAR-LBPRGKRZSA-N 2 2 254.761 2.277 20 10 CECDLP [NH3+]C1(C[NH2+]Cc2cccc(F)c2O)CCCCC1 ZINC000841039140 639628755 /nfs/dbraw/zinc/62/87/55/639628755.db2.gz CABNKVFRIMICEA-UHFFFAOYSA-N 2 2 252.333 2.283 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCSC2)cc1 ZINC000841044555 639631109 /nfs/dbraw/zinc/63/11/09/639631109.db2.gz CZILCHZNYSYMBF-HIFRSBDPSA-N 2 2 279.453 2.238 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000841059001 639636586 /nfs/dbraw/zinc/63/65/86/639636586.db2.gz IXQVBXQAHALBCQ-XJKSGUPXSA-N 2 2 292.423 2.319 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000841091363 639654836 /nfs/dbraw/zinc/65/48/36/639654836.db2.gz WINOGCOVOREEQW-CYBMUJFWSA-N 2 2 264.369 2.023 20 10 CECDLP Oc1c(F)cccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843044182 640249411 /nfs/dbraw/zinc/24/94/11/640249411.db2.gz WRUVIJPSWWZMGJ-UHFFFAOYSA-N 2 2 264.344 2.248 20 10 CECDLP Oc1c(F)cccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843044182 640249417 /nfs/dbraw/zinc/24/94/17/640249417.db2.gz WRUVIJPSWWZMGJ-UHFFFAOYSA-N 2 2 264.344 2.248 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056808 640258473 /nfs/dbraw/zinc/25/84/73/640258473.db2.gz AICTXFDFMZVADI-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056808 640258481 /nfs/dbraw/zinc/25/84/81/640258481.db2.gz AICTXFDFMZVADI-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000843129053 640295607 /nfs/dbraw/zinc/29/56/07/640295607.db2.gz LYMHNQONIDBXFC-JGVFFNPUSA-N 2 2 260.740 2.400 20 10 CECDLP COc1ccc(N2CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C2)cc1 ZINC000849350348 642340893 /nfs/dbraw/zinc/34/08/93/642340893.db2.gz NZELHVSRDOKFLL-CQSZACIVSA-N 2 2 291.439 2.252 20 10 CECDLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863546259 646753879 /nfs/dbraw/zinc/75/38/79/646753879.db2.gz HUECUMZNBUBRSH-TVYUQYBPSA-N 2 2 252.333 2.322 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000863650890 646777041 /nfs/dbraw/zinc/77/70/41/646777041.db2.gz DOWGIUGOAPSSKC-CALCHBBNSA-N 2 2 291.414 2.323 20 10 CECDLP CN(C)c1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000863650890 646777044 /nfs/dbraw/zinc/77/70/44/646777044.db2.gz DOWGIUGOAPSSKC-CALCHBBNSA-N 2 2 291.414 2.323 20 10 CECDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1C(F)(F)F ZINC000873226931 649598646 /nfs/dbraw/zinc/59/86/46/649598646.db2.gz ABMHWWKKIKRCJB-VHSXEESVSA-N 2 2 292.276 2.100 20 10 CECDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1C(F)(F)F ZINC000873226931 649598648 /nfs/dbraw/zinc/59/86/48/649598648.db2.gz ABMHWWKKIKRCJB-VHSXEESVSA-N 2 2 292.276 2.100 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228358 649599045 /nfs/dbraw/zinc/59/90/45/649599045.db2.gz DCLDXVDNYXWEOI-CVEARBPZSA-N 2 2 259.397 2.127 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230793 649602643 /nfs/dbraw/zinc/60/26/43/649602643.db2.gz YDPRVNWGZIYVND-UONOGXRCSA-N 2 2 266.772 2.420 20 10 CECDLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204801948 806152694 /nfs/dbraw/zinc/15/26/94/806152694.db2.gz XONFYXNGCFYPGH-GFCCVEGCSA-N 2 2 290.285 2.214 20 10 CECDLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204801948 806152698 /nfs/dbraw/zinc/15/26/98/806152698.db2.gz XONFYXNGCFYPGH-GFCCVEGCSA-N 2 2 290.285 2.214 20 10 CECDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001236868353 808180935 /nfs/dbraw/zinc/18/09/35/808180935.db2.gz AZWKDBIFOJDIOO-JTQLQIEISA-N 2 2 272.776 2.223 20 10 CECDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001236868353 808180940 /nfs/dbraw/zinc/18/09/40/808180940.db2.gz AZWKDBIFOJDIOO-JTQLQIEISA-N 2 2 272.776 2.223 20 10 CECDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140461708 816260068 /nfs/dbraw/zinc/26/00/68/816260068.db2.gz RMGKCOBVROMPNM-UHFFFAOYSA-N 2 2 256.777 2.429 20 10 CECDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140461708 816260069 /nfs/dbraw/zinc/26/00/69/816260069.db2.gz RMGKCOBVROMPNM-UHFFFAOYSA-N 2 2 256.777 2.429 20 10 CECDLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001140957980 816425892 /nfs/dbraw/zinc/42/58/92/816425892.db2.gz OSOZNKYHRZABDG-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001140957980 816425879 /nfs/dbraw/zinc/42/58/79/816425879.db2.gz OSOZNKYHRZABDG-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001140957980 816425887 /nfs/dbraw/zinc/42/58/87/816425887.db2.gz OSOZNKYHRZABDG-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001140957980 816425896 /nfs/dbraw/zinc/42/58/96/816425896.db2.gz OSOZNKYHRZABDG-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP CC[NH+]1CCC([N@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141159800 816490352 /nfs/dbraw/zinc/49/03/52/816490352.db2.gz KPXKSLIZPMQKMJ-UHFFFAOYSA-N 2 2 264.369 2.014 20 10 CECDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141159800 816490358 /nfs/dbraw/zinc/49/03/58/816490358.db2.gz KPXKSLIZPMQKMJ-UHFFFAOYSA-N 2 2 264.369 2.014 20 10 CECDLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3O)CC2)CCO1 ZINC000179562862 329209813 /nfs/dbraw/zinc/20/98/13/329209813.db2.gz CNCVLQZUBVBQTF-CQSZACIVSA-N 2 2 290.407 2.077 20 10 CECDLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3O)CC2)CCO1 ZINC000179562862 329209814 /nfs/dbraw/zinc/20/98/14/329209814.db2.gz CNCVLQZUBVBQTF-CQSZACIVSA-N 2 2 290.407 2.077 20 10 CECDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1O ZINC000124755913 329573598 /nfs/dbraw/zinc/57/35/98/329573598.db2.gz SYLXHFHRYHNUMS-SNVBAGLBSA-N 2 2 256.777 2.475 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000292687978 522182542 /nfs/dbraw/zinc/18/25/42/522182542.db2.gz BCWAGAMQYCTSJJ-QGZVFWFLSA-N 2 2 291.414 2.419 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000292687978 522182546 /nfs/dbraw/zinc/18/25/46/522182546.db2.gz BCWAGAMQYCTSJJ-QGZVFWFLSA-N 2 2 291.414 2.419 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292687978 522182555 /nfs/dbraw/zinc/18/25/55/522182555.db2.gz BCWAGAMQYCTSJJ-QGZVFWFLSA-N 2 2 291.414 2.419 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000292687978 522182563 /nfs/dbraw/zinc/18/25/63/522182563.db2.gz BCWAGAMQYCTSJJ-QGZVFWFLSA-N 2 2 291.414 2.419 20 10 CECDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1O ZINC000062745562 525346680 /nfs/dbraw/zinc/34/66/80/525346680.db2.gz UDWPMZAVCWFWPT-NSHDSACASA-N 2 2 263.316 2.469 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841060005 632362434 /nfs/dbraw/zinc/36/24/34/632362434.db2.gz ZWKMTBGBUHCRDR-ROHVMALMSA-N 2 2 273.424 2.353 20 10 CECDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817940427 633788957 /nfs/dbraw/zinc/78/89/57/633788957.db2.gz GEWXFPVDAFAPBK-PVAVHDDUSA-N 2 2 291.439 2.157 20 10 CECDLP CC[NH2+]CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817952164 633796542 /nfs/dbraw/zinc/79/65/42/633796542.db2.gz OJFPKPNZPDZVLO-SECBINFHSA-N 2 2 287.201 2.415 20 10 CECDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817959427 633801893 /nfs/dbraw/zinc/80/18/93/633801893.db2.gz FWPAWXKWAIFRKX-PRHODGIISA-N 2 2 254.761 2.434 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000817966319 633809292 /nfs/dbraw/zinc/80/92/92/633809292.db2.gz LIVYJOMIDLPOCU-HTQZYQBOSA-N 2 2 262.275 2.409 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817966950 633809699 /nfs/dbraw/zinc/80/96/99/633809699.db2.gz ZZTNMZHXVGYIAY-NEPJUHHUSA-N 2 2 297.830 2.174 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817970791 633813748 /nfs/dbraw/zinc/81/37/48/633813748.db2.gz FGUSPROIMKEUEN-NWDGAFQWSA-N 2 2 297.830 2.174 20 10 CECDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817974165 633816779 /nfs/dbraw/zinc/81/67/79/633816779.db2.gz ZUIYUXLDBOVXGS-YUMQZZPRSA-N 2 2 273.174 2.153 20 10 CECDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000904462580 635635569 /nfs/dbraw/zinc/63/55/69/635635569.db2.gz WRLQPUWOXGHAPU-SJLPKXTDSA-N 2 2 280.371 2.336 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000841034531 639626823 /nfs/dbraw/zinc/62/68/23/639626823.db2.gz DYUAUNZHBQVWDV-SJDLMVEWSA-N 2 2 259.397 2.107 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000841059732 639636591 /nfs/dbraw/zinc/63/65/91/639636591.db2.gz WIWRZHAOFBMBNS-LRDDRELGSA-N 2 2 261.413 2.149 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH2+]1 ZINC000841062126 639638200 /nfs/dbraw/zinc/63/82/00/639638200.db2.gz GIHQKSQVCCJPBI-BDAKNGLRSA-N 2 2 272.751 2.415 20 10 CECDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000841064418 639639250 /nfs/dbraw/zinc/63/92/50/639639250.db2.gz QGXHUGDSUQVUQS-CABZTGNLSA-N 2 2 299.212 2.242 20 10 CECDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841064880 639641024 /nfs/dbraw/zinc/64/10/24/639641024.db2.gz VMOPNNGJTDHWOV-QPUJVOFHSA-N 2 2 272.751 2.272 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056809 640258830 /nfs/dbraw/zinc/25/88/30/640258830.db2.gz AICTXFDFMZVADI-IUCAKERBSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056809 640258832 /nfs/dbraw/zinc/25/88/32/640258832.db2.gz AICTXFDFMZVADI-IUCAKERBSA-N 2 2 272.751 2.354 20 10 CECDLP Nc1ccc(CN2CCCc3cc(C[NH3+])ccc32)c[nH+]1 ZINC000843057971 640260296 /nfs/dbraw/zinc/26/02/96/640260296.db2.gz JFKNDNOBWMZMHP-UHFFFAOYSA-N 2 2 268.364 2.075 20 10 CECDLP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC[NH2+]1 ZINC000233512412 641325669 /nfs/dbraw/zinc/32/56/69/641325669.db2.gz JGDZLIFBHPNNOS-HNNXBMFYSA-N 2 2 261.413 2.327 20 10 CECDLP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC[NH2+]1 ZINC000233512412 641325676 /nfs/dbraw/zinc/32/56/76/641325676.db2.gz JGDZLIFBHPNNOS-HNNXBMFYSA-N 2 2 261.413 2.327 20 10 CECDLP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071585751 641782281 /nfs/dbraw/zinc/78/22/81/641782281.db2.gz DGIYZJMHBYGQAU-HWKANZROSA-N 2 2 259.397 2.061 20 10 CECDLP CN(C)c1ccc(/C=C/C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071585751 641782284 /nfs/dbraw/zinc/78/22/84/641782284.db2.gz DGIYZJMHBYGQAU-HWKANZROSA-N 2 2 259.397 2.061 20 10 CECDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000775501299 646960573 /nfs/dbraw/zinc/96/05/73/646960573.db2.gz GCMIVIQYMFUXGC-WCQYABFASA-N 2 2 286.803 2.009 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228362 649599857 /nfs/dbraw/zinc/59/98/57/649599857.db2.gz DCLDXVDNYXWEOI-HZPDHXFCSA-N 2 2 259.397 2.127 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)cc(F)c1O ZINC000873252083 649610253 /nfs/dbraw/zinc/61/02/53/649610253.db2.gz PCNGKUVGLHUOET-MRTMQBJTSA-N 2 2 256.296 2.058 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001118242018 814996963 /nfs/dbraw/zinc/99/69/63/814996963.db2.gz UULVZHSFMSBSHQ-KRWDZBQOSA-N 2 2 273.424 2.471 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001118242018 814996968 /nfs/dbraw/zinc/99/69/68/814996968.db2.gz UULVZHSFMSBSHQ-KRWDZBQOSA-N 2 2 273.424 2.471 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@]2(C)C1 ZINC000702415045 809551988 /nfs/dbraw/zinc/55/19/88/809551988.db2.gz MXGKVJHJXJKPSY-ABAIWWIYSA-N 2 2 280.799 2.429 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@]2(C)C1 ZINC000702415045 809551996 /nfs/dbraw/zinc/55/19/96/809551996.db2.gz MXGKVJHJXJKPSY-ABAIWWIYSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@]2(C)C1 ZINC000702415045 809552009 /nfs/dbraw/zinc/55/20/09/809552009.db2.gz MXGKVJHJXJKPSY-ABAIWWIYSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@]2(C)C1 ZINC000702415045 809552013 /nfs/dbraw/zinc/55/20/13/809552013.db2.gz MXGKVJHJXJKPSY-ABAIWWIYSA-N 2 2 280.799 2.429 20 10 CECDLP CC[N@H+](CCC[NH+](C)C)Cc1c(O)cccc1F ZINC001137839860 815694561 /nfs/dbraw/zinc/69/45/61/815694561.db2.gz MKUMSEHKBQKGSD-UHFFFAOYSA-N 2 2 254.349 2.305 20 10 CECDLP CC[N@@H+](CCC[NH+](C)C)Cc1c(O)cccc1F ZINC001137839860 815694564 /nfs/dbraw/zinc/69/45/64/815694564.db2.gz MKUMSEHKBQKGSD-UHFFFAOYSA-N 2 2 254.349 2.305 20 10 CECDLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142531087 816680854 /nfs/dbraw/zinc/68/08/54/816680854.db2.gz PJBAJRAUVUCNLC-STQMWFEESA-N 2 2 296.361 2.444 20 10 CECDLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273468005 373759514 /nfs/dbraw/zinc/75/95/14/373759514.db2.gz FEZIRDBPSLDXGN-JTQLQIEISA-N 2 2 263.316 2.387 20 10 CECDLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000286334446 375917826 /nfs/dbraw/zinc/91/78/26/375917826.db2.gz YBETXTIWWOIRLE-ZFWWWQNUSA-N 2 2 296.386 2.029 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179325 380196088 /nfs/dbraw/zinc/19/60/88/380196088.db2.gz SURKQHMVYHOVJO-ZDUSSCGKSA-N 2 2 266.772 2.420 20 10 CECDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1O ZINC000377409039 329014664 /nfs/dbraw/zinc/01/46/64/329014664.db2.gz HIJMHBPETGSBGM-QWRGUYRKSA-N 2 2 257.337 2.323 20 10 CECDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1O ZINC000377409039 329014665 /nfs/dbraw/zinc/01/46/65/329014665.db2.gz HIJMHBPETGSBGM-QWRGUYRKSA-N 2 2 257.337 2.323 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1O ZINC000377798500 329030047 /nfs/dbraw/zinc/03/00/47/329030047.db2.gz IZXNWXZAUMYTES-KOLCDFICSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1O ZINC000377798500 329030048 /nfs/dbraw/zinc/03/00/48/329030048.db2.gz IZXNWXZAUMYTES-KOLCDFICSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1O ZINC000377798501 329030172 /nfs/dbraw/zinc/03/01/72/329030172.db2.gz IZXNWXZAUMYTES-MWLCHTKSSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1O ZINC000377798501 329030173 /nfs/dbraw/zinc/03/01/73/329030173.db2.gz IZXNWXZAUMYTES-MWLCHTKSSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000049553261 524475396 /nfs/dbraw/zinc/47/53/96/524475396.db2.gz HANIRLMKTGNOSY-JTQLQIEISA-N 2 2 256.777 2.475 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000747853687 575175873 /nfs/dbraw/zinc/17/58/73/575175873.db2.gz AQEZPNKTVHSBNL-INIZCTEOSA-N 2 2 292.423 2.416 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000747853687 575175874 /nfs/dbraw/zinc/17/58/74/575175874.db2.gz AQEZPNKTVHSBNL-INIZCTEOSA-N 2 2 292.423 2.416 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841060006 632362286 /nfs/dbraw/zinc/36/22/86/632362286.db2.gz ZWKMTBGBUHCRDR-XUOJHOASSA-N 2 2 273.424 2.353 20 10 CECDLP CCO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C[NH+](C)C ZINC000926957724 632384489 /nfs/dbraw/zinc/38/44/89/632384489.db2.gz COWMBEAFQBCKRU-YPMHNXCESA-N 2 2 284.375 2.149 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]1 ZINC000817900617 633761967 /nfs/dbraw/zinc/76/19/67/633761967.db2.gz OPWNDVQHCHIXFA-CZUORRHYSA-N 2 2 273.424 2.299 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817954592 633798351 /nfs/dbraw/zinc/79/83/51/633798351.db2.gz ZMDVMWFKTLKAMD-AAEUAGOBSA-N 2 2 252.333 2.324 20 10 CECDLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817959608 633801810 /nfs/dbraw/zinc/80/18/10/633801810.db2.gz DIXCFWLTUAJYIB-OLZOCXBDSA-N 2 2 252.333 2.309 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817976388 633818341 /nfs/dbraw/zinc/81/83/41/633818341.db2.gz KZMLFDAJMPGDEB-XBFCOCLRSA-N 2 2 265.376 2.103 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1O ZINC000818615476 633960755 /nfs/dbraw/zinc/96/07/55/633960755.db2.gz PWRYGOVGPNBTNL-OASPWFOLSA-N 2 2 252.333 2.452 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000903964823 635398879 /nfs/dbraw/zinc/39/88/79/635398879.db2.gz RUZKMUMVHHERJE-KOLCDFICSA-N 2 2 299.212 2.100 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000841034534 639626634 /nfs/dbraw/zinc/62/66/34/639626634.db2.gz DYUAUNZHBQVWDV-UJAVWCLSSA-N 2 2 259.397 2.107 20 10 CECDLP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000841048570 639632702 /nfs/dbraw/zinc/63/27/02/639632702.db2.gz KFGVXFULQYPXGJ-UHFFFAOYSA-N 2 2 258.724 2.156 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000841064004 639639114 /nfs/dbraw/zinc/63/91/14/639639114.db2.gz NVYSOWMIYUMBHZ-BXKDBHETSA-N 2 2 254.761 2.133 20 10 CECDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841064881 639640700 /nfs/dbraw/zinc/64/07/00/639640700.db2.gz VMOPNNGJTDHWOV-UFBFGSQYSA-N 2 2 272.751 2.272 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000841091365 639654448 /nfs/dbraw/zinc/65/44/48/639654448.db2.gz WINOGCOVOREEQW-ZDUSSCGKSA-N 2 2 264.369 2.023 20 10 CECDLP Oc1c(Br)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841091826 639654794 /nfs/dbraw/zinc/65/47/94/639654794.db2.gz HEPKZIVPXBHJIB-UHFFFAOYSA-N 2 2 299.212 2.386 20 10 CECDLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000843129059 640295589 /nfs/dbraw/zinc/29/55/89/640295589.db2.gz LYMHNQONIDBXFC-YUMQZZPRSA-N 2 2 260.740 2.400 20 10 CECDLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)cc(F)c1O ZINC000817965156 642185950 /nfs/dbraw/zinc/18/59/50/642185950.db2.gz QLZKQRRZWKKWBL-MRVPVSSYSA-N 2 2 256.296 2.202 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1F ZINC000877744695 650890622 /nfs/dbraw/zinc/89/06/22/650890622.db2.gz WZWJQPZWFSMHHB-GDBMZVCRSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1F ZINC000877744695 650890626 /nfs/dbraw/zinc/89/06/26/650890626.db2.gz WZWJQPZWFSMHHB-GDBMZVCRSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC000877744695 650890629 /nfs/dbraw/zinc/89/06/29/650890629.db2.gz WZWJQPZWFSMHHB-GDBMZVCRSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1F ZINC000877744695 650890631 /nfs/dbraw/zinc/89/06/31/650890631.db2.gz WZWJQPZWFSMHHB-GDBMZVCRSA-N 2 2 291.414 2.418 20 10 CECDLP CCC[N@H+](Cc1cccc(F)c1O)C1CC[NH2+]CC1 ZINC000843044024 644746661 /nfs/dbraw/zinc/74/66/61/644746661.db2.gz AAFQSBUTFNQETD-UHFFFAOYSA-N 2 2 266.360 2.495 20 10 CECDLP CCC[N@@H+](Cc1cccc(F)c1O)C1CC[NH2+]CC1 ZINC000843044024 644746663 /nfs/dbraw/zinc/74/66/63/644746663.db2.gz AAFQSBUTFNQETD-UHFFFAOYSA-N 2 2 266.360 2.495 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC000863484229 646740844 /nfs/dbraw/zinc/74/08/44/646740844.db2.gz IGXFETKMYMSBMT-DGCLKSJQSA-N 2 2 264.369 2.021 20 10 CECDLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863486963 646741456 /nfs/dbraw/zinc/74/14/56/646741456.db2.gz HFFDVBDNJCCMOM-JOYOIKCWSA-N 2 2 299.212 2.303 20 10 CECDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546105 646752696 /nfs/dbraw/zinc/75/26/96/646752696.db2.gz DJSDIGRXLDDGIX-XPXLGCRWSA-N 2 2 264.344 2.420 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000863649318 646776160 /nfs/dbraw/zinc/77/61/60/646776160.db2.gz CEOMLPHMYXJFOD-ZFWWWQNUSA-N 2 2 261.413 2.291 20 10 CECDLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000778187900 647207135 /nfs/dbraw/zinc/20/71/35/647207135.db2.gz NDWNSUSYDIXPOT-CQSZACIVSA-N 2 2 271.364 2.305 20 10 CECDLP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882903341 652262685 /nfs/dbraw/zinc/26/26/85/652262685.db2.gz AJLMUNAJXFSIGO-UHFFFAOYSA-N 2 2 281.306 2.355 20 10 CECDLP Nc1cc[nH+]c(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000925768432 804317891 /nfs/dbraw/zinc/31/78/91/804317891.db2.gz UNIPDGJSTZZBQO-CYBMUJFWSA-N 2 2 255.321 2.147 20 10 CECDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001236866223 808181068 /nfs/dbraw/zinc/18/10/68/808181068.db2.gz WXNJLEUEKQPDNW-HNNXBMFYSA-N 2 2 261.413 2.456 20 10 CECDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001236866223 808181072 /nfs/dbraw/zinc/18/10/72/808181072.db2.gz WXNJLEUEKQPDNW-HNNXBMFYSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C[NH+]1CCCC1 ZINC000708557817 809945374 /nfs/dbraw/zinc/94/53/74/809945374.db2.gz BOVDMHMLCFEITG-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246899103 814360981 /nfs/dbraw/zinc/36/09/81/814360981.db2.gz CPEUIKLGFIWVHN-INIZCTEOSA-N 2 2 261.413 2.327 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246899103 814360984 /nfs/dbraw/zinc/36/09/84/814360984.db2.gz CPEUIKLGFIWVHN-INIZCTEOSA-N 2 2 261.413 2.327 20 10 CECDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(O)c(C)c1O ZINC001140750123 816342693 /nfs/dbraw/zinc/34/26/93/816342693.db2.gz VYWCFSMAJARWHL-UHFFFAOYSA-N 2 2 275.352 2.125 20 10 CECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(O)c(C)c1O ZINC001140750123 816342701 /nfs/dbraw/zinc/34/27/01/816342701.db2.gz VYWCFSMAJARWHL-UHFFFAOYSA-N 2 2 275.352 2.125 20 10 CECDLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c(O)c1 ZINC001140957979 816425676 /nfs/dbraw/zinc/42/56/76/816425676.db2.gz OSOZNKYHRZABDG-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(O)c1 ZINC001140957979 816425682 /nfs/dbraw/zinc/42/56/82/816425682.db2.gz OSOZNKYHRZABDG-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(O)c1 ZINC001140957979 816425686 /nfs/dbraw/zinc/42/56/86/816425686.db2.gz OSOZNKYHRZABDG-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c(O)c1 ZINC001140957979 816425690 /nfs/dbraw/zinc/42/56/90/816425690.db2.gz OSOZNKYHRZABDG-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(F)c1O ZINC000191187935 299271987 /nfs/dbraw/zinc/27/19/87/299271987.db2.gz JGFUXVNNBFDIBC-VIFPVBQESA-N 2 2 270.323 2.415 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543540 366777886 /nfs/dbraw/zinc/77/78/86/366777886.db2.gz YIEXUBCFTFDDTM-CJNGLKHVSA-N 2 2 261.413 2.497 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543540 366777890 /nfs/dbraw/zinc/77/78/90/366777890.db2.gz YIEXUBCFTFDDTM-CJNGLKHVSA-N 2 2 261.413 2.497 20 10 CECDLP C[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294383463 377984812 /nfs/dbraw/zinc/98/48/12/377984812.db2.gz UXZSCOMFYTWXMO-UHFFFAOYSA-N 2 2 272.751 2.369 20 10 CECDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297820716 378690186 /nfs/dbraw/zinc/69/01/86/378690186.db2.gz RJVSAKZQPUDJRQ-BYCMXARLSA-N 2 2 272.392 2.452 20 10 CECDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297820716 378690192 /nfs/dbraw/zinc/69/01/92/378690192.db2.gz RJVSAKZQPUDJRQ-BYCMXARLSA-N 2 2 272.392 2.452 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035274904 172095286 /nfs/dbraw/zinc/09/52/86/172095286.db2.gz QABQXTKAYNBXEU-CYBMUJFWSA-N 2 2 258.369 2.127 20 10 CECDLP Cc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000367698782 524406434 /nfs/dbraw/zinc/40/64/34/524406434.db2.gz FYVWODZFXFPZIH-AWEZNQCLSA-N 2 2 271.364 2.424 20 10 CECDLP Cc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000367698782 524406437 /nfs/dbraw/zinc/40/64/37/524406437.db2.gz FYVWODZFXFPZIH-AWEZNQCLSA-N 2 2 271.364 2.424 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1O ZINC000925781697 628808405 /nfs/dbraw/zinc/80/84/05/628808405.db2.gz JLSKVYDHOKCDSR-ZJUUUORDSA-N 2 2 288.313 2.427 20 10 CECDLP COc1cc(C)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000894494314 629495908 /nfs/dbraw/zinc/49/59/08/629495908.db2.gz NMQPNUMPWLQHFB-CYBMUJFWSA-N 2 2 287.363 2.010 20 10 CECDLP Cc1ccncc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042714 632322941 /nfs/dbraw/zinc/32/29/41/632322941.db2.gz MQSNNCXPXVZFCI-QGZVFWFLSA-N 2 2 284.407 2.246 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000841043033 632331658 /nfs/dbraw/zinc/33/16/58/632331658.db2.gz MWHMHIRLUXVNDS-UYWPIULCSA-N 2 2 259.397 2.107 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817940361 633788675 /nfs/dbraw/zinc/78/86/75/633788675.db2.gz GEWXFPVDAFAPBK-OIISXLGYSA-N 2 2 291.439 2.157 20 10 CECDLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817944638 633792033 /nfs/dbraw/zinc/79/20/33/633792033.db2.gz ITGPZNDRANZWLK-CMPLNLGQSA-N 2 2 254.761 2.448 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817966320 633808116 /nfs/dbraw/zinc/80/81/16/633808116.db2.gz LIVYJOMIDLPOCU-SFYZADRCSA-N 2 2 262.275 2.409 20 10 CECDLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817969203 633811173 /nfs/dbraw/zinc/81/11/73/633811173.db2.gz RQDGZVJSTWGYBE-ONGXEEELSA-N 2 2 270.323 2.463 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000903465155 635151602 /nfs/dbraw/zinc/15/16/02/635151602.db2.gz DXEURCOZZTXWTE-AWEZNQCLSA-N 2 2 292.354 2.108 20 10 CECDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834607294 637889120 /nfs/dbraw/zinc/88/91/20/637889120.db2.gz SOAICJUTTUJCBC-TZMCWYRMSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834607294 637889123 /nfs/dbraw/zinc/88/91/23/637889123.db2.gz SOAICJUTTUJCBC-TZMCWYRMSA-N 2 2 260.381 2.453 20 10 CECDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Br)c1O ZINC000841029948 639622659 /nfs/dbraw/zinc/62/26/59/639622659.db2.gz PMTNUJUIDLZPOW-LLVKDONJSA-N 2 2 287.201 2.228 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841034270 639626620 /nfs/dbraw/zinc/62/66/20/639626620.db2.gz WTPAMLGMABDECI-OAHLLOKOSA-N 2 2 261.413 2.293 20 10 CECDLP COc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1O ZINC000841038554 639628938 /nfs/dbraw/zinc/62/89/38/639628938.db2.gz XZEZPZFLJDTAFO-CQSZACIVSA-N 2 2 272.348 2.190 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841064877 639641133 /nfs/dbraw/zinc/64/11/33/639641133.db2.gz VMOPNNGJTDHWOV-PELKAZGASA-N 2 2 272.751 2.272 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000841077072 639647200 /nfs/dbraw/zinc/64/72/00/639647200.db2.gz YDHXWYIZBWMPLZ-DTWKUNHWSA-N 2 2 287.201 2.288 20 10 CECDLP C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000841101125 639656305 /nfs/dbraw/zinc/65/63/05/639656305.db2.gz OJLIOPZBTSCBJZ-ZYHUDNBSSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000841101125 639656307 /nfs/dbraw/zinc/65/63/07/639656307.db2.gz OJLIOPZBTSCBJZ-ZYHUDNBSSA-N 2 2 268.788 2.462 20 10 CECDLP CCC[N@H+](Cc1cc(OCC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000843051748 640254740 /nfs/dbraw/zinc/25/47/40/640254740.db2.gz DCOKBKBIUVVHCI-AWEZNQCLSA-N 2 2 278.396 2.365 20 10 CECDLP CCC[N@@H+](Cc1cc(OCC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000843051748 640254744 /nfs/dbraw/zinc/25/47/44/640254744.db2.gz DCOKBKBIUVVHCI-AWEZNQCLSA-N 2 2 278.396 2.365 20 10 CECDLP Oc1c(F)cccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000843129002 640295517 /nfs/dbraw/zinc/29/55/17/640295517.db2.gz OEHMMUHQRXLMQQ-CYBMUJFWSA-N 2 2 264.344 2.296 20 10 CECDLP Oc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848930845 642200297 /nfs/dbraw/zinc/20/02/97/642200297.db2.gz XQWGJSMDGUXGFG-INIZCTEOSA-N 2 2 290.407 2.079 20 10 CECDLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1N(C)C ZINC000923282732 643638441 /nfs/dbraw/zinc/63/84/41/643638441.db2.gz XEOUMITXXOEPGJ-HNNXBMFYSA-N 2 2 261.413 2.374 20 10 CECDLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1N(C)C ZINC000923282732 643638446 /nfs/dbraw/zinc/63/84/46/643638446.db2.gz XEOUMITXXOEPGJ-HNNXBMFYSA-N 2 2 261.413 2.374 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]CCC[NH+]2CCC2)cc1F ZINC000858154479 645077598 /nfs/dbraw/zinc/07/75/98/645077598.db2.gz JHAABXHOFXMJSU-UHFFFAOYSA-N 2 2 283.366 2.216 20 10 CECDLP C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)C[NH+](C)C ZINC000858167294 645079225 /nfs/dbraw/zinc/07/92/25/645079225.db2.gz PQRDTCNKHTYTGE-NSHDSACASA-N 2 2 285.382 2.318 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485235 646740197 /nfs/dbraw/zinc/74/01/97/646740197.db2.gz WZAIUOALSRAKTD-JOYOIKCWSA-N 2 2 284.787 2.284 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863485019 646740450 /nfs/dbraw/zinc/74/04/50/646740450.db2.gz RMAWKRICZOOXKB-CJNGLKHVSA-N 2 2 292.423 2.462 20 10 CECDLP CC[N@H+](CC[NH3+])Cc1cc(Br)cc(C)c1O ZINC000863644340 646776497 /nfs/dbraw/zinc/77/64/97/646776497.db2.gz SENULSKGWPIATF-UHFFFAOYSA-N 2 2 287.201 2.244 20 10 CECDLP CC[N@@H+](CC[NH3+])Cc1cc(Br)cc(C)c1O ZINC000863644340 646776499 /nfs/dbraw/zinc/77/64/99/646776499.db2.gz SENULSKGWPIATF-UHFFFAOYSA-N 2 2 287.201 2.244 20 10 CECDLP C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1C[NH3+] ZINC000873215364 649593381 /nfs/dbraw/zinc/59/33/81/649593381.db2.gz DFUSTYCPANSJFN-WCBMZHEXSA-N 2 2 272.751 2.211 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1C[NH3+] ZINC000873215364 649593383 /nfs/dbraw/zinc/59/33/83/649593383.db2.gz DFUSTYCPANSJFN-WCBMZHEXSA-N 2 2 272.751 2.211 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341640 813792826 /nfs/dbraw/zinc/79/28/26/813792826.db2.gz BLZIIHOGVRATCZ-BXKDBHETSA-N 2 2 299.212 2.385 20 10 CECDLP Oc1cccc(F)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001137831705 815690388 /nfs/dbraw/zinc/69/03/88/815690388.db2.gz KPKBFTYRIKEVJU-UHFFFAOYSA-N 2 2 287.338 2.249 20 10 CECDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185145289 262043877 /nfs/dbraw/zinc/04/38/77/262043877.db2.gz QUZCRKYCZXXKGQ-GFCCVEGCSA-N 2 2 296.386 2.293 20 10 CECDLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C[NH+]1CCOCC1 ZINC000185504815 262056934 /nfs/dbraw/zinc/05/69/34/262056934.db2.gz OFELBBKJPNZENZ-OLZOCXBDSA-N 2 2 296.386 2.150 20 10 CECDLP C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)C[NH+]1CCOCC1 ZINC000185505669 262057979 /nfs/dbraw/zinc/05/79/79/262057979.db2.gz KGOWRUVTZNMLLX-CHWSQXEVSA-N 2 2 296.386 2.150 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1F ZINC000733325469 574663901 /nfs/dbraw/zinc/66/39/01/574663901.db2.gz NQEODSWGUOGEFK-ZDUSSCGKSA-N 2 2 265.376 2.076 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1F ZINC000733325469 574663903 /nfs/dbraw/zinc/66/39/03/574663903.db2.gz NQEODSWGUOGEFK-ZDUSSCGKSA-N 2 2 265.376 2.076 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)c2c1c(F)ccc2O ZINC000925784335 628821701 /nfs/dbraw/zinc/82/17/01/628821701.db2.gz MLWVJFXIUPAANK-CNVPUSNMSA-N 2 2 264.344 2.277 20 10 CECDLP Cc1cccc(O)c1C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000896299252 630522658 /nfs/dbraw/zinc/52/26/58/630522658.db2.gz YCGIHBGDBBFBMY-UHFFFAOYSA-N 2 2 271.364 2.451 20 10 CECDLP CCO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962643 632389924 /nfs/dbraw/zinc/38/99/24/632389924.db2.gz RKLABNPWMXQYBD-KGLIPLIRSA-N 2 2 280.412 2.318 20 10 CECDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]1 ZINC000817900618 633761210 /nfs/dbraw/zinc/76/12/10/633761210.db2.gz OPWNDVQHCHIXFA-XJKSGUPXSA-N 2 2 273.424 2.299 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]1 ZINC000817900616 633761526 /nfs/dbraw/zinc/76/15/26/633761526.db2.gz OPWNDVQHCHIXFA-CJNGLKHVSA-N 2 2 273.424 2.299 20 10 CECDLP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817955557 633799787 /nfs/dbraw/zinc/79/97/87/633799787.db2.gz YUBWLQLWILUYQT-UWVGGRQHSA-N 2 2 270.323 2.321 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000817959797 633801291 /nfs/dbraw/zinc/80/12/91/633801291.db2.gz VGBJZVWMZMMJDC-AAEUAGOBSA-N 2 2 294.395 2.203 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1O ZINC000817973281 633816663 /nfs/dbraw/zinc/81/66/63/633816663.db2.gz SJJDJLWSRVZRRS-JGVFFNPUSA-N 2 2 262.275 2.409 20 10 CECDLP Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000834808239 637957257 /nfs/dbraw/zinc/95/72/57/637957257.db2.gz YPFPJXSCJCUKFI-WCQYABFASA-N 2 2 269.348 2.250 20 10 CECDLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041787 639630225 /nfs/dbraw/zinc/63/02/25/639630225.db2.gz CDETVEOJHDYLAB-KRWDZBQOSA-N 2 2 284.407 2.246 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841059228 639637042 /nfs/dbraw/zinc/63/70/42/639637042.db2.gz NQFIGLQRCWZJMH-SKDRFNHKSA-N 2 2 254.761 2.133 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079325 639648504 /nfs/dbraw/zinc/64/85/04/639648504.db2.gz MDBHVIXMOZKUOL-GFCCVEGCSA-N 2 2 266.772 2.277 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000841086633 639651824 /nfs/dbraw/zinc/65/18/24/639651824.db2.gz OVNHBVCPSFYSDR-HNNXBMFYSA-N 2 2 261.413 2.291 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843047233 640252861 /nfs/dbraw/zinc/25/28/61/640252861.db2.gz OYHYVSFPLYFNPX-HNNXBMFYSA-N 2 2 259.397 2.210 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843047233 640252864 /nfs/dbraw/zinc/25/28/64/640252864.db2.gz OYHYVSFPLYFNPX-HNNXBMFYSA-N 2 2 259.397 2.210 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000843048406 640252906 /nfs/dbraw/zinc/25/29/06/640252906.db2.gz QKSJRUQPOLCGNI-JTQLQIEISA-N 2 2 299.212 2.244 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000843048406 640252909 /nfs/dbraw/zinc/25/29/09/640252909.db2.gz QKSJRUQPOLCGNI-JTQLQIEISA-N 2 2 299.212 2.244 20 10 CECDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843053305 640256631 /nfs/dbraw/zinc/25/66/31/640256631.db2.gz UTMMNXVVAASPCV-SNVBAGLBSA-N 2 2 254.761 2.087 20 10 CECDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843053305 640256632 /nfs/dbraw/zinc/25/66/32/640256632.db2.gz UTMMNXVVAASPCV-SNVBAGLBSA-N 2 2 254.761 2.087 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843058857 640260944 /nfs/dbraw/zinc/26/09/44/640260944.db2.gz ZPQHOUWNHZZWPV-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843058857 640260947 /nfs/dbraw/zinc/26/09/47/640260947.db2.gz ZPQHOUWNHZZWPV-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843114530 640285703 /nfs/dbraw/zinc/28/57/03/640285703.db2.gz CYUXWNXMMZJRRX-CYBMUJFWSA-N 2 2 299.212 2.325 20 10 CECDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843114530 640285707 /nfs/dbraw/zinc/28/57/07/640285707.db2.gz CYUXWNXMMZJRRX-CYBMUJFWSA-N 2 2 299.212 2.325 20 10 CECDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843116545 640286312 /nfs/dbraw/zinc/28/63/12/640286312.db2.gz ZGQKYXRXSSMKFP-ZDUSSCGKSA-N 2 2 272.751 2.355 20 10 CECDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843116545 640286314 /nfs/dbraw/zinc/28/63/14/640286314.db2.gz ZGQKYXRXSSMKFP-ZDUSSCGKSA-N 2 2 272.751 2.355 20 10 CECDLP COc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000846138207 641198190 /nfs/dbraw/zinc/19/81/90/641198190.db2.gz AAIFZGMXNGWGCO-NWDGAFQWSA-N 2 2 275.352 2.337 20 10 CECDLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226166 644858552 /nfs/dbraw/zinc/85/85/52/644858552.db2.gz GSDKSPAWYWWTLU-FZMZJTMJSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226166 644858555 /nfs/dbraw/zinc/85/85/55/644858555.db2.gz GSDKSPAWYWWTLU-FZMZJTMJSA-N 2 2 266.772 2.359 20 10 CECDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858100038 645059941 /nfs/dbraw/zinc/05/99/41/645059941.db2.gz HLTDAFKAFYSOHR-GFCCVEGCSA-N 2 2 297.393 2.462 20 10 CECDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858100038 645059945 /nfs/dbraw/zinc/05/99/45/645059945.db2.gz HLTDAFKAFYSOHR-GFCCVEGCSA-N 2 2 297.393 2.462 20 10 CECDLP CC[NH+](CC)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516326 809943825 /nfs/dbraw/zinc/94/38/25/809943825.db2.gz HBFIGIIEFFXXMP-UHFFFAOYSA-N 2 2 272.339 2.492 20 10 CECDLP CC[NH+](CC)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159108 816489930 /nfs/dbraw/zinc/48/99/30/816489930.db2.gz ZIUBMKUPWXZSKZ-UHFFFAOYSA-N 2 2 278.396 2.404 20 10 CECDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1O ZINC000124755742 365659003 /nfs/dbraw/zinc/65/90/03/365659003.db2.gz SYLXHFHRYHNUMS-JTQLQIEISA-N 2 2 256.777 2.475 20 10 CECDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000286334440 375917681 /nfs/dbraw/zinc/91/76/81/375917681.db2.gz YBETXTIWWOIRLE-HIFRSBDPSA-N 2 2 296.386 2.029 20 10 CECDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124713950 394840157 /nfs/dbraw/zinc/84/01/57/394840157.db2.gz GGILFOQDZPNFER-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035274900 172095732 /nfs/dbraw/zinc/09/57/32/172095732.db2.gz QABQXTKAYNBXEU-ZDUSSCGKSA-N 2 2 258.369 2.127 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000840935678 628753008 /nfs/dbraw/zinc/75/30/08/628753008.db2.gz AADAPMAARJZXCL-CQSZACIVSA-N 2 2 275.440 2.492 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000840935678 628753011 /nfs/dbraw/zinc/75/30/11/628753011.db2.gz AADAPMAARJZXCL-CQSZACIVSA-N 2 2 275.440 2.492 20 10 CECDLP COc1cc(C)cc(C[NH2+]CCCCn2cc[nH+]c2)c1O ZINC000894199243 629203244 /nfs/dbraw/zinc/20/32/44/629203244.db2.gz KRIVUCVVNOLNSH-UHFFFAOYSA-N 2 2 289.379 2.476 20 10 CECDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044792 632347717 /nfs/dbraw/zinc/34/77/17/632347717.db2.gz IEEWDJYGGVXLLJ-MRXNPFEDSA-N 2 2 298.386 2.423 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951943 633795796 /nfs/dbraw/zinc/79/57/96/633795796.db2.gz BRSSXYRFPFPCGX-BXKDBHETSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817969573 633811887 /nfs/dbraw/zinc/81/18/87/633811887.db2.gz XMPJMWMKSLIYNG-UMNHJUIQSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1O ZINC000817984562 633826733 /nfs/dbraw/zinc/82/67/33/633826733.db2.gz UHYIGKOFENCBQQ-JQWIXIFHSA-N 2 2 252.333 2.324 20 10 CECDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C[NH3+] ZINC000904412409 635620081 /nfs/dbraw/zinc/62/00/81/635620081.db2.gz VISJPLGYSKDOIO-WDEREUQCSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C[NH3+] ZINC000904412409 635620086 /nfs/dbraw/zinc/62/00/86/635620086.db2.gz VISJPLGYSKDOIO-WDEREUQCSA-N 2 2 268.788 2.462 20 10 CECDLP Nc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000841036485 639627996 /nfs/dbraw/zinc/62/79/96/639627996.db2.gz SMCBBAOYIKPFGZ-UHFFFAOYSA-N 2 2 296.418 2.465 20 10 CECDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841059776 639637159 /nfs/dbraw/zinc/63/71/59/639637159.db2.gz CAOZAPYLTDMKPP-CYBMUJFWSA-N 2 2 286.375 2.408 20 10 CECDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000841064005 639639829 /nfs/dbraw/zinc/63/98/29/639639829.db2.gz NVYSOWMIYUMBHZ-CABZTGNLSA-N 2 2 254.761 2.133 20 10 CECDLP C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1C[NH3+] ZINC000841101124 639663921 /nfs/dbraw/zinc/66/39/21/639663921.db2.gz OJLIOPZBTSCBJZ-PWSUYJOCSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1C[NH3+] ZINC000841101124 639663961 /nfs/dbraw/zinc/66/39/61/639663961.db2.gz OJLIOPZBTSCBJZ-PWSUYJOCSA-N 2 2 268.788 2.462 20 10 CECDLP CCOc1ccc(O)c(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000843124513 640290754 /nfs/dbraw/zinc/29/07/54/640290754.db2.gz BTXLCCSFTJIKMC-UHFFFAOYSA-N 2 2 264.369 2.104 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000843124513 640290758 /nfs/dbraw/zinc/29/07/58/640290758.db2.gz BTXLCCSFTJIKMC-UHFFFAOYSA-N 2 2 264.369 2.104 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843347004 640398399 /nfs/dbraw/zinc/39/83/99/640398399.db2.gz QMOWHEVKOJTNAH-LLVKDONJSA-N 2 2 296.798 2.419 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843347004 640398406 /nfs/dbraw/zinc/39/84/06/640398406.db2.gz QMOWHEVKOJTNAH-LLVKDONJSA-N 2 2 296.798 2.419 20 10 CECDLP CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1[NH3+] ZINC000843376556 640410201 /nfs/dbraw/zinc/41/02/01/640410201.db2.gz AXEXLBAIKFXIGQ-XHDPSFHLSA-N 2 2 294.370 2.293 20 10 CECDLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1[NH3+] ZINC000843376556 640410202 /nfs/dbraw/zinc/41/02/02/640410202.db2.gz AXEXLBAIKFXIGQ-XHDPSFHLSA-N 2 2 294.370 2.293 20 10 CECDLP CN(C)c1cc[nH+]c(C[NH2+]Cc2ccccc2O)c1 ZINC000922478350 643088102 /nfs/dbraw/zinc/08/81/02/643088102.db2.gz MEQDVSZPCJJXGL-UHFFFAOYSA-N 2 2 257.337 2.143 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000769485398 646276339 /nfs/dbraw/zinc/27/63/39/646276339.db2.gz QMRCDDPAYMSTNH-QWHCGFSZSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000769485398 646276341 /nfs/dbraw/zinc/27/63/41/646276341.db2.gz QMRCDDPAYMSTNH-QWHCGFSZSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000769485398 646276347 /nfs/dbraw/zinc/27/63/47/646276347.db2.gz QMRCDDPAYMSTNH-QWHCGFSZSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000769485398 646276350 /nfs/dbraw/zinc/27/63/50/646276350.db2.gz QMRCDDPAYMSTNH-QWHCGFSZSA-N 2 2 278.396 2.315 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487123 646741239 /nfs/dbraw/zinc/74/12/39/646741239.db2.gz JWJCDCOIIZLURG-JOYOIKCWSA-N 2 2 254.761 2.194 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000873230054 649601440 /nfs/dbraw/zinc/60/14/40/649601440.db2.gz LPTXTRAYQKUUQJ-CVEARBPZSA-N 2 2 277.387 2.266 20 10 CECDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204772668 805811903 /nfs/dbraw/zinc/81/19/03/805811903.db2.gz XRFOFTBPQLCPEH-INIZCTEOSA-N 2 2 259.397 2.210 20 10 CECDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204772668 805811912 /nfs/dbraw/zinc/81/19/12/805811912.db2.gz XRFOFTBPQLCPEH-INIZCTEOSA-N 2 2 259.397 2.210 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1 ZINC001140623771 816306977 /nfs/dbraw/zinc/30/69/77/816306977.db2.gz QRJMNBCNKFCQAD-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1 ZINC001140623771 816306982 /nfs/dbraw/zinc/30/69/82/816306982.db2.gz QRJMNBCNKFCQAD-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1 ZINC001140623771 816306990 /nfs/dbraw/zinc/30/69/90/816306990.db2.gz QRJMNBCNKFCQAD-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1 ZINC001140623771 816306997 /nfs/dbraw/zinc/30/69/97/816306997.db2.gz QRJMNBCNKFCQAD-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001140925279 816411957 /nfs/dbraw/zinc/41/19/57/816411957.db2.gz QUXSPJILVIXWQR-OKILXGFUSA-N 2 2 293.842 2.399 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001140925279 816411960 /nfs/dbraw/zinc/41/19/60/816411960.db2.gz QUXSPJILVIXWQR-OKILXGFUSA-N 2 2 293.842 2.399 20 10 CECDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001140925279 816411961 /nfs/dbraw/zinc/41/19/61/816411961.db2.gz QUXSPJILVIXWQR-OKILXGFUSA-N 2 2 293.842 2.399 20 10 CECDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001140925279 816411963 /nfs/dbraw/zinc/41/19/63/816411963.db2.gz QUXSPJILVIXWQR-OKILXGFUSA-N 2 2 293.842 2.399 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1O ZINC000293387644 296130811 /nfs/dbraw/zinc/13/08/11/296130811.db2.gz ISPHMYNNJISUTK-WDEREUQCSA-N 2 2 254.349 2.380 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272625518 373587647 /nfs/dbraw/zinc/58/76/47/373587647.db2.gz MKGITCYIMNWNSH-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272625518 373587655 /nfs/dbraw/zinc/58/76/55/373587655.db2.gz MKGITCYIMNWNSH-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373912996 /nfs/dbraw/zinc/91/29/96/373912996.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 2 2 290.382 2.447 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373913004 /nfs/dbraw/zinc/91/30/04/373913004.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 2 2 290.382 2.447 20 10 CECDLP Oc1cc(F)c(Cl)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000294202765 377938239 /nfs/dbraw/zinc/93/82/39/377938239.db2.gz KWZAUJJPCXIDAW-UHFFFAOYSA-N 2 2 269.707 2.171 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543427 395022812 /nfs/dbraw/zinc/02/28/12/395022812.db2.gz YIEXUBCFTFDDTM-BBRMVZONSA-N 2 2 261.413 2.497 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543427 395022814 /nfs/dbraw/zinc/02/28/14/395022814.db2.gz YIEXUBCFTFDDTM-BBRMVZONSA-N 2 2 261.413 2.497 20 10 CECDLP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)cc(F)c1O ZINC000902486102 634703111 /nfs/dbraw/zinc/70/31/11/634703111.db2.gz PMSABIZTQYONKM-NQMVMOMDSA-N 2 2 256.296 2.058 20 10 CECDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841744522 631568134 /nfs/dbraw/zinc/56/81/34/631568134.db2.gz IHVAKDHUHVLCOP-YPMHNXCESA-N 2 2 298.814 2.153 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841060004 632362802 /nfs/dbraw/zinc/36/28/02/632362802.db2.gz ZWKMTBGBUHCRDR-DSLFPGPSSA-N 2 2 273.424 2.353 20 10 CECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]CC[NH3+])c1O ZINC000817934486 633786471 /nfs/dbraw/zinc/78/64/71/633786471.db2.gz JMZAEGHCSHSXCR-MRVPVSSYSA-N 2 2 273.174 2.072 20 10 CECDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817969995 633812378 /nfs/dbraw/zinc/81/23/78/633812378.db2.gz JJEIALHNBHFEFZ-YUMQZZPRSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)cc(F)c1O ZINC000817984781 633828815 /nfs/dbraw/zinc/82/88/15/633828815.db2.gz ZWXZCMQDOKQYTQ-VIFPVBQESA-N 2 2 270.323 2.463 20 10 CECDLP Cc1cc(O)c(C[NH2+]Cc2cc(N)cc[nH+]2)cc1C ZINC000903949834 635382618 /nfs/dbraw/zinc/38/26/18/635382618.db2.gz DYHPDAHYUSGHGY-UHFFFAOYSA-N 2 2 257.337 2.276 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079237 635397177 /nfs/dbraw/zinc/39/71/77/635397177.db2.gz KGZBFHRLGNFYBT-GFCCVEGCSA-N 2 2 284.762 2.416 20 10 CECDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841059227 639636161 /nfs/dbraw/zinc/63/61/61/639636161.db2.gz NQFIGLQRCWZJMH-JOYOIKCWSA-N 2 2 254.761 2.133 20 10 CECDLP C[N@H+](Cc1c(O)cccc1Cl)C1CC[NH2+]CC1 ZINC000843046142 640250913 /nfs/dbraw/zinc/25/09/13/640250913.db2.gz OJMVZJRPPSWHLB-UHFFFAOYSA-N 2 2 254.761 2.229 20 10 CECDLP C[N@@H+](Cc1c(O)cccc1Cl)C1CC[NH2+]CC1 ZINC000843046142 640250917 /nfs/dbraw/zinc/25/09/17/640250917.db2.gz OJMVZJRPPSWHLB-UHFFFAOYSA-N 2 2 254.761 2.229 20 10 CECDLP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000843047734 640252251 /nfs/dbraw/zinc/25/22/51/640252251.db2.gz YOFQWBFFRKMECV-UHFFFAOYSA-N 2 2 273.424 2.472 20 10 CECDLP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000843047734 640252253 /nfs/dbraw/zinc/25/22/53/640252253.db2.gz YOFQWBFFRKMECV-UHFFFAOYSA-N 2 2 273.424 2.472 20 10 CECDLP Cc1cc(O)c(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1C ZINC000843056366 640258325 /nfs/dbraw/zinc/25/83/25/640258325.db2.gz ZTZBJGPBKQQNBD-OAHLLOKOSA-N 2 2 260.381 2.335 20 10 CECDLP Cc1cc(O)c(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1C ZINC000843056366 640258329 /nfs/dbraw/zinc/25/83/29/640258329.db2.gz ZTZBJGPBKQQNBD-OAHLLOKOSA-N 2 2 260.381 2.335 20 10 CECDLP Oc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000843128380 640295154 /nfs/dbraw/zinc/29/51/54/640295154.db2.gz KPIRPBBYUQZXBQ-AWEZNQCLSA-N 2 2 264.344 2.296 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000843384953 640412809 /nfs/dbraw/zinc/41/28/09/640412809.db2.gz LQJFMLCVWIXFAD-CQSZACIVSA-N 2 2 294.370 2.437 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1O ZINC000843384953 640412814 /nfs/dbraw/zinc/41/28/14/640412814.db2.gz LQJFMLCVWIXFAD-CQSZACIVSA-N 2 2 294.370 2.437 20 10 CECDLP COc1cccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000846138210 641197770 /nfs/dbraw/zinc/19/77/70/641197770.db2.gz AAIFZGMXNGWGCO-RYUDHWBXSA-N 2 2 275.352 2.337 20 10 CECDLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000070175516 641641874 /nfs/dbraw/zinc/64/18/74/641641874.db2.gz OROJWMQXNUNPKK-OCCSQVGLSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000070175516 641641877 /nfs/dbraw/zinc/64/18/77/641641877.db2.gz OROJWMQXNUNPKK-OCCSQVGLSA-N 2 2 278.396 2.350 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000843051999 644759076 /nfs/dbraw/zinc/75/90/76/644759076.db2.gz NXVAPESVAZXWPH-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000843051999 644759080 /nfs/dbraw/zinc/75/90/80/644759080.db2.gz NXVAPESVAZXWPH-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(O)cc1C ZINC000768462126 646126209 /nfs/dbraw/zinc/12/62/09/646126209.db2.gz JRJQHIITIQYHLI-UHFFFAOYSA-N 2 2 289.379 2.428 20 10 CECDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(O)cc1C ZINC000768462126 646126211 /nfs/dbraw/zinc/12/62/11/646126211.db2.gz JRJQHIITIQYHLI-UHFFFAOYSA-N 2 2 289.379 2.428 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863483204 646739396 /nfs/dbraw/zinc/73/93/96/646739396.db2.gz QZYDZUXIQPCSLN-OAHLLOKOSA-N 2 2 259.397 2.127 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484761 646740001 /nfs/dbraw/zinc/74/00/01/646740001.db2.gz LVAVVWFNKCRKCP-AAEUAGOBSA-N 2 2 264.369 2.021 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778189103 647207802 /nfs/dbraw/zinc/20/78/02/647207802.db2.gz NEASZYWTJNFZFM-AWEZNQCLSA-N 2 2 270.380 2.054 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000779064236 647284429 /nfs/dbraw/zinc/28/44/29/647284429.db2.gz HPJYTHKFDUHKRK-NEPJUHHUSA-N 2 2 287.363 2.263 20 10 CECDLP Cc1ccc(C)n1-c1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC001204699967 806372408 /nfs/dbraw/zinc/37/24/08/806372408.db2.gz VHXPWXWHQKJEJE-UHFFFAOYSA-N 2 2 257.381 2.485 20 10 CECDLP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC001204699967 806372417 /nfs/dbraw/zinc/37/24/17/806372417.db2.gz VHXPWXWHQKJEJE-UHFFFAOYSA-N 2 2 257.381 2.485 20 10 CECDLP COc1cc(N(C)C)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001231849327 807194132 /nfs/dbraw/zinc/19/41/32/807194132.db2.gz RGTFRBRVANUHOX-UHFFFAOYSA-N 2 2 291.439 2.287 20 10 CECDLP COc1cc(N(C)C)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001231849327 807194136 /nfs/dbraw/zinc/19/41/36/807194136.db2.gz RGTFRBRVANUHOX-UHFFFAOYSA-N 2 2 291.439 2.287 20 10 CECDLP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1O)[NH+](C)C ZINC000708514884 809944689 /nfs/dbraw/zinc/94/46/89/809944689.db2.gz MTBGHKZOJSMKRV-SECBINFHSA-N 2 2 258.312 2.100 20 10 CECDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000035275342 538766380 /nfs/dbraw/zinc/76/63/80/538766380.db2.gz FOPXPUCQYRXFDR-ZDUSSCGKSA-N 2 2 259.353 2.378 20 10 CECDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000180196437 368372007 /nfs/dbraw/zinc/37/20/07/368372007.db2.gz NFFSJWFTAWWQTR-SMDDNHRTSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000180196437 368372008 /nfs/dbraw/zinc/37/20/08/368372008.db2.gz NFFSJWFTAWWQTR-SMDDNHRTSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196437 368372009 /nfs/dbraw/zinc/37/20/09/368372009.db2.gz NFFSJWFTAWWQTR-SMDDNHRTSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196437 368372010 /nfs/dbraw/zinc/37/20/10/368372010.db2.gz NFFSJWFTAWWQTR-SMDDNHRTSA-N 2 2 266.360 2.446 20 10 CECDLP COc1ccc(N2CCC[N@H+](CC[NH2+]C(C)C)CC2)cc1 ZINC000193426468 369941352 /nfs/dbraw/zinc/94/13/52/369941352.db2.gz WAOXMSSWGFXXFR-UHFFFAOYSA-N 2 2 291.439 2.205 20 10 CECDLP COc1ccc(N2CCC[N@@H+](CC[NH2+]C(C)C)CC2)cc1 ZINC000193426468 369941357 /nfs/dbraw/zinc/94/13/57/369941357.db2.gz WAOXMSSWGFXXFR-UHFFFAOYSA-N 2 2 291.439 2.205 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293651306 377678439 /nfs/dbraw/zinc/67/84/39/377678439.db2.gz LHVCMJMHDKWDNB-NWDGAFQWSA-N 2 2 294.395 2.027 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179186 380196380 /nfs/dbraw/zinc/19/63/80/380196380.db2.gz QIVBPNSKKSYMAU-LBPRGKRZSA-N 2 2 266.772 2.420 20 10 CECDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271165236 394750027 /nfs/dbraw/zinc/75/00/27/394750027.db2.gz HEZIVFRBENUBJJ-LLVKDONJSA-N 2 2 268.788 2.429 20 10 CECDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271165236 394750028 /nfs/dbraw/zinc/75/00/28/394750028.db2.gz HEZIVFRBENUBJJ-LLVKDONJSA-N 2 2 268.788 2.429 20 10 CECDLP COc1cc(Cl)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194537368 395440246 /nfs/dbraw/zinc/44/02/46/395440246.db2.gz YYPLHXWWUWJWQE-TXEJJXNPSA-N 2 2 296.798 2.048 20 10 CECDLP COc1cc(Cl)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194537368 395440261 /nfs/dbraw/zinc/44/02/61/395440261.db2.gz YYPLHXWWUWJWQE-TXEJJXNPSA-N 2 2 296.798 2.048 20 10 CECDLP Cc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1O ZINC000184765856 262029007 /nfs/dbraw/zinc/02/90/07/262029007.db2.gz OBHFZXNEYKBXEV-UHFFFAOYSA-N 2 2 298.390 2.121 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000368133341 267146681 /nfs/dbraw/zinc/14/66/81/267146681.db2.gz IQMKOZPALLAJOR-HNNXBMFYSA-N 2 2 284.407 2.476 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000368133341 267146683 /nfs/dbraw/zinc/14/66/83/267146683.db2.gz IQMKOZPALLAJOR-HNNXBMFYSA-N 2 2 284.407 2.476 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216495 328716807 /nfs/dbraw/zinc/71/68/07/328716807.db2.gz PSJLDLAYCHXTTN-QMTHXVAHSA-N 2 2 264.344 2.467 20 10 CECDLP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1C ZINC000035052419 524070596 /nfs/dbraw/zinc/07/05/96/524070596.db2.gz NSKFLFFFCPUIJA-UHFFFAOYSA-N 2 2 259.353 2.380 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OC ZINC000729681805 574490652 /nfs/dbraw/zinc/49/06/52/574490652.db2.gz JQTINDQEKWUMHQ-OAHLLOKOSA-N 2 2 278.396 2.025 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OC ZINC000729681805 574490653 /nfs/dbraw/zinc/49/06/53/574490653.db2.gz JQTINDQEKWUMHQ-OAHLLOKOSA-N 2 2 278.396 2.025 20 10 CECDLP CN(C)c1ccc(/C=C/C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000849349686 624781842 /nfs/dbraw/zinc/78/18/42/624781842.db2.gz DXXNTCXXPPQLTQ-VOTSOKGWSA-N 2 2 261.413 2.435 20 10 CECDLP CN(C)c1ccc(/C=C/C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000849349686 624781847 /nfs/dbraw/zinc/78/18/47/624781847.db2.gz DXXNTCXXPPQLTQ-VOTSOKGWSA-N 2 2 261.413 2.435 20 10 CECDLP CN1CCCc2cc(C[NH2+][C@H]3CC[NH2+]C34CCC4)ccc21 ZINC000925531533 628130918 /nfs/dbraw/zinc/13/09/18/628130918.db2.gz LGPUXWCAJYYBRA-KRWDZBQOSA-N 2 2 285.435 2.443 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257721791 628613927 /nfs/dbraw/zinc/61/39/27/628613927.db2.gz VRDRNBNXKXDOGN-INIZCTEOSA-N 2 2 259.397 2.081 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257721791 628613929 /nfs/dbraw/zinc/61/39/29/628613929.db2.gz VRDRNBNXKXDOGN-INIZCTEOSA-N 2 2 259.397 2.081 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000925784334 628821536 /nfs/dbraw/zinc/82/15/36/628821536.db2.gz MLWVJFXIUPAANK-BSJXLVFVSA-N 2 2 264.344 2.277 20 10 CECDLP COCC(C)(C)C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043312 632336926 /nfs/dbraw/zinc/33/69/26/632336926.db2.gz RETXYKBQVPNUFQ-HNNXBMFYSA-N 2 2 279.428 2.015 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900435 633760919 /nfs/dbraw/zinc/76/09/19/633760919.db2.gz MTNMALYYXADGKL-CJNGLKHVSA-N 2 2 273.424 2.157 20 10 CECDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817940429 633789103 /nfs/dbraw/zinc/78/91/03/633789103.db2.gz GEWXFPVDAFAPBK-XIRDDKMYSA-N 2 2 291.439 2.157 20 10 CECDLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000817943277 633790672 /nfs/dbraw/zinc/79/06/72/633790672.db2.gz TWELOXKFWTWTJZ-USXIJHARSA-N 2 2 291.439 2.300 20 10 CECDLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817959607 633800531 /nfs/dbraw/zinc/80/05/31/633800531.db2.gz DIXCFWLTUAJYIB-CHWSQXEVSA-N 2 2 252.333 2.309 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000817968701 633811266 /nfs/dbraw/zinc/81/12/66/633811266.db2.gz WFRCLRFWKARZHN-DVOMOZLQSA-N 2 2 261.413 2.401 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817968999 633811776 /nfs/dbraw/zinc/81/17/76/633811776.db2.gz OVLWZZJZJJKZPK-UHIISALHSA-N 2 2 264.369 2.049 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000817971298 633812835 /nfs/dbraw/zinc/81/28/35/633812835.db2.gz CATFFRHOYNMZMH-RQJHMYQMSA-N 2 2 291.164 2.292 20 10 CECDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1O ZINC000824564301 635452845 /nfs/dbraw/zinc/45/28/45/635452845.db2.gz IKGCEUZATPBFRM-GDBMZVCRSA-N 2 2 292.423 2.280 20 10 CECDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1O ZINC000824564301 635452849 /nfs/dbraw/zinc/45/28/49/635452849.db2.gz IKGCEUZATPBFRM-GDBMZVCRSA-N 2 2 292.423 2.280 20 10 CECDLP c1cc2c(cc1C[NH2+][C@]13CCC[C@@H]1[NH2+]CC3)CCCO2 ZINC000904383738 635605569 /nfs/dbraw/zinc/60/55/69/635605569.db2.gz CZHJMRKMGWJXPR-IRXDYDNUSA-N 2 2 272.392 2.386 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C[NH3+] ZINC000904412406 635620387 /nfs/dbraw/zinc/62/03/87/635620387.db2.gz VISJPLGYSKDOIO-GHMZBOCLSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C[NH3+] ZINC000904412406 635620392 /nfs/dbraw/zinc/62/03/92/635620392.db2.gz VISJPLGYSKDOIO-GHMZBOCLSA-N 2 2 268.788 2.462 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000841027502 639620312 /nfs/dbraw/zinc/62/03/12/639620312.db2.gz CLNRNMTYPFUAIN-GFCCVEGCSA-N 2 2 299.212 2.290 20 10 CECDLP CCOc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000841033373 639625118 /nfs/dbraw/zinc/62/51/18/639625118.db2.gz SESBBQDESRCZGS-ZDUSSCGKSA-N 2 2 264.369 2.023 20 10 CECDLP [NH3+][C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000841049636 639632568 /nfs/dbraw/zinc/63/25/68/639632568.db2.gz MNGPNBYNOWFCNC-LLVKDONJSA-N 2 2 258.724 2.012 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059171 639636583 /nfs/dbraw/zinc/63/65/83/639636583.db2.gz LZRFHCVFRABZOR-BXKDBHETSA-N 2 2 284.787 2.142 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058864 639636799 /nfs/dbraw/zinc/63/67/99/639636799.db2.gz WPIPDIFDATYRJN-LLVKDONJSA-N 2 2 254.761 2.277 20 10 CECDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841059226 639636985 /nfs/dbraw/zinc/63/69/85/639636985.db2.gz NQFIGLQRCWZJMH-CABZTGNLSA-N 2 2 254.761 2.133 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841059225 639637240 /nfs/dbraw/zinc/63/72/40/639637240.db2.gz NQFIGLQRCWZJMH-BXKDBHETSA-N 2 2 254.761 2.133 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841064606 639639531 /nfs/dbraw/zinc/63/95/31/639639531.db2.gz ZOGDIARXPYCDTJ-BXKDBHETSA-N 2 2 284.787 2.284 20 10 CECDLP COC[C@@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCC[NH2+]1 ZINC000841067091 639642741 /nfs/dbraw/zinc/64/27/41/639642741.db2.gz KAKLEPPOBWDIGK-HNNXBMFYSA-N 2 2 298.814 2.212 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054569 640257642 /nfs/dbraw/zinc/25/76/42/640257642.db2.gz UDCPUSXRXFRNOS-CVEARBPZSA-N 2 2 273.424 2.387 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054569 640257647 /nfs/dbraw/zinc/25/76/47/640257647.db2.gz UDCPUSXRXFRNOS-CVEARBPZSA-N 2 2 273.424 2.387 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056810 640258869 /nfs/dbraw/zinc/25/88/69/640258869.db2.gz AICTXFDFMZVADI-RKDXNWHRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056810 640258871 /nfs/dbraw/zinc/25/88/71/640258871.db2.gz AICTXFDFMZVADI-RKDXNWHRSA-N 2 2 272.751 2.354 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485233 646740629 /nfs/dbraw/zinc/74/06/29/646740629.db2.gz WZAIUOALSRAKTD-BXKDBHETSA-N 2 2 284.787 2.284 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000778190070 647207470 /nfs/dbraw/zinc/20/74/70/647207470.db2.gz UYWIKLRXZJHDCO-ZDUSSCGKSA-N 2 2 288.370 2.193 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230755 649602940 /nfs/dbraw/zinc/60/29/40/649602940.db2.gz XRMAKNAPTKPZFV-UKRRQHHQSA-N 2 2 296.798 2.428 20 10 CECDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)F ZINC000883407545 652459621 /nfs/dbraw/zinc/45/96/21/652459621.db2.gz YLWTYOBYUDLXGG-LBPRGKRZSA-N 2 2 283.366 2.182 20 10 CECDLP C[NH+](C)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000691451404 807888761 /nfs/dbraw/zinc/88/87/61/807888761.db2.gz BBCBYLUHVIZENR-UHFFFAOYSA-N 2 2 287.201 2.196 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236026665 807937813 /nfs/dbraw/zinc/93/78/13/807937813.db2.gz YQLMUPMYSALMHZ-GDBMZVCRSA-N 2 2 259.397 2.066 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236026665 807937816 /nfs/dbraw/zinc/93/78/16/807937816.db2.gz YQLMUPMYSALMHZ-GDBMZVCRSA-N 2 2 259.397 2.066 20 10 CECDLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1O ZINC000285694349 375841774 /nfs/dbraw/zinc/84/17/74/375841774.db2.gz OOTSBTGOSPFMLS-CYBMUJFWSA-N 2 2 263.316 2.469 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178022 380196032 /nfs/dbraw/zinc/19/60/32/380196032.db2.gz NJRGPTGUVYPDRV-ZDUSSCGKSA-N 2 2 266.772 2.420 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800839 628848044 /nfs/dbraw/zinc/84/80/44/628848044.db2.gz YBGQMORWEXJOOS-UONOGXRCSA-N 2 2 290.407 2.202 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1CC[NH3+] ZINC000903977377 635395034 /nfs/dbraw/zinc/39/50/34/635395034.db2.gz PZGUXOMFHSMAOC-GHMZBOCLSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1CC[NH3+] ZINC000903977377 635395038 /nfs/dbraw/zinc/39/50/38/635395038.db2.gz PZGUXOMFHSMAOC-GHMZBOCLSA-N 2 2 268.788 2.462 20 10 CECDLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000817943275 633791215 /nfs/dbraw/zinc/79/12/15/633791215.db2.gz TWELOXKFWTWTJZ-OIISXLGYSA-N 2 2 291.439 2.300 20 10 CECDLP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000817945231 633792557 /nfs/dbraw/zinc/79/25/57/633792557.db2.gz XOXIXDMJNCOJSJ-MWLCHTKSSA-N 2 2 254.761 2.367 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903987039 635405783 /nfs/dbraw/zinc/40/57/83/635405783.db2.gz XGYPUDWTTHRHAK-HNNXBMFYSA-N 2 2 261.413 2.230 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903987039 635405787 /nfs/dbraw/zinc/40/57/87/635405787.db2.gz XGYPUDWTTHRHAK-HNNXBMFYSA-N 2 2 261.413 2.230 20 10 CECDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1C[NH3+] ZINC000904412408 635620546 /nfs/dbraw/zinc/62/05/46/635620546.db2.gz VISJPLGYSKDOIO-QWRGUYRKSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1C[NH3+] ZINC000904412408 635620549 /nfs/dbraw/zinc/62/05/49/635620549.db2.gz VISJPLGYSKDOIO-QWRGUYRKSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)[NH+](C)C ZINC000835042822 638035157 /nfs/dbraw/zinc/03/51/57/638035157.db2.gz MJCSWIYGSXDECO-LMVHVUTASA-N 2 2 261.413 2.306 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000840936302 639591112 /nfs/dbraw/zinc/59/11/12/639591112.db2.gz IXQFKWCLKIOUST-UHFFFAOYSA-N 2 2 261.413 2.246 20 10 CECDLP Cc1ccc(O)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000841036116 639627380 /nfs/dbraw/zinc/62/73/80/639627380.db2.gz JYICQFGXZFXVAH-HNNXBMFYSA-N 2 2 256.349 2.490 20 10 CECDLP CCC[NH2+]CC[NH2+]Cc1cc(Br)ccc1O ZINC000841046639 639630891 /nfs/dbraw/zinc/63/08/91/639630891.db2.gz KDQDTTPTYHMIFT-UHFFFAOYSA-N 2 2 287.201 2.244 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCSCC2)cc1 ZINC000841044592 639630934 /nfs/dbraw/zinc/63/09/34/639630934.db2.gz DMUFHMZFVLEVOJ-OAHLLOKOSA-N 2 2 279.453 2.238 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2O)cc1 ZINC000841044850 639631210 /nfs/dbraw/zinc/63/12/10/639631210.db2.gz ZEDVMYBIUXFPQZ-INIZCTEOSA-N 2 2 285.391 2.248 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057880 639635522 /nfs/dbraw/zinc/63/55/22/639635522.db2.gz LSRCMYOUNPDCSI-SECBINFHSA-N 2 2 272.751 2.416 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000841085410 639650882 /nfs/dbraw/zinc/65/08/82/639650882.db2.gz BJLHKBRTLGWHQK-AWEZNQCLSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843057243 640260404 /nfs/dbraw/zinc/26/04/04/640260404.db2.gz HLDLCABARLOYOP-UWVGGRQHSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843057243 640260410 /nfs/dbraw/zinc/26/04/10/640260410.db2.gz HLDLCABARLOYOP-UWVGGRQHSA-N 2 2 299.212 2.324 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843347007 640398650 /nfs/dbraw/zinc/39/86/50/640398650.db2.gz QMOWHEVKOJTNAH-NSHDSACASA-N 2 2 296.798 2.419 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843347007 640398655 /nfs/dbraw/zinc/39/86/55/640398655.db2.gz QMOWHEVKOJTNAH-NSHDSACASA-N 2 2 296.798 2.419 20 10 CECDLP COc1cccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1O ZINC000846168450 641210789 /nfs/dbraw/zinc/21/07/89/641210789.db2.gz CTWQEYUAUZGJIG-WDEREUQCSA-N 2 2 287.363 2.332 20 10 CECDLP Cc1cc(O)c(C[NH2+]CC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000853245976 643720847 /nfs/dbraw/zinc/72/08/47/643720847.db2.gz FMBWMGQQTYHTHW-UHFFFAOYSA-N 2 2 266.772 2.196 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000853249409 643722179 /nfs/dbraw/zinc/72/21/79/643722179.db2.gz FELNMDMNPCFNIF-AWEZNQCLSA-N 2 2 261.413 2.374 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229913 649601422 /nfs/dbraw/zinc/60/14/22/649601422.db2.gz IVGLSJRFOSLHPC-HOTGVXAUSA-N 2 2 276.380 2.165 20 10 CECDLP CCOc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c(O)c1 ZINC000873229749 649601637 /nfs/dbraw/zinc/60/16/37/649601637.db2.gz FMCFARBONPJKCR-JKSUJKDBSA-N 2 2 276.380 2.165 20 10 CECDLP COc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230231 649602073 /nfs/dbraw/zinc/60/20/73/649602073.db2.gz NSKWETAAYFZRQB-JKSUJKDBSA-N 2 2 260.381 2.378 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230791 649602581 /nfs/dbraw/zinc/60/25/81/649602581.db2.gz YDPRVNWGZIYVND-KBPBESRZSA-N 2 2 266.772 2.420 20 10 CECDLP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[NH2+]CC3)ccc2O1 ZINC001204691706 806207608 /nfs/dbraw/zinc/20/76/08/806207608.db2.gz KNVMZWFZKMSGPB-UHFFFAOYSA-N 2 2 288.391 2.372 20 10 CECDLP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[NH2+]CC3)ccc2O1 ZINC001204691706 806207614 /nfs/dbraw/zinc/20/76/14/806207614.db2.gz KNVMZWFZKMSGPB-UHFFFAOYSA-N 2 2 288.391 2.372 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236026677 807937713 /nfs/dbraw/zinc/93/77/13/807937713.db2.gz YQLMUPMYSALMHZ-HOCLYGCPSA-N 2 2 259.397 2.066 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236026677 807937718 /nfs/dbraw/zinc/93/77/18/807937718.db2.gz YQLMUPMYSALMHZ-HOCLYGCPSA-N 2 2 259.397 2.066 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1F ZINC001206174788 815492385 /nfs/dbraw/zinc/49/23/85/815492385.db2.gz PNCNDABTOPXKRC-NWDGAFQWSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1F ZINC001206174788 815492387 /nfs/dbraw/zinc/49/23/87/815492387.db2.gz PNCNDABTOPXKRC-NWDGAFQWSA-N 2 2 272.751 2.307 20 10 CECDLP c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246173433 813718798 /nfs/dbraw/zinc/71/87/98/813718798.db2.gz HBLPUJGYGHIDPX-HNNXBMFYSA-N 2 2 259.397 2.128 20 10 CECDLP C[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000089647962 363987617 /nfs/dbraw/zinc/98/76/17/363987617.db2.gz PWYAWZBYYVNFBI-UHFFFAOYSA-N 2 2 254.761 2.229 20 10 CECDLP C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C[NH+](C)C ZINC000291683442 377205363 /nfs/dbraw/zinc/20/53/63/377205363.db2.gz IAXIETKFOAIWNJ-JTQLQIEISA-N 2 2 256.777 2.333 20 10 CECDLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000529663347 380182244 /nfs/dbraw/zinc/18/22/44/380182244.db2.gz JZPFQQZPOBXSNT-UHFFFAOYSA-N 2 2 290.407 2.079 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000273363269 292013951 /nfs/dbraw/zinc/01/39/51/292013951.db2.gz AUFQVJNPHHBURH-NWDGAFQWSA-N 2 2 294.395 2.170 20 10 CECDLP Oc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000179564881 395195393 /nfs/dbraw/zinc/19/53/93/395195393.db2.gz IVTICMGUHAKXJI-UHFFFAOYSA-N 2 2 257.337 2.426 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126894 171012478 /nfs/dbraw/zinc/01/24/78/171012478.db2.gz GZGYILQXFZUZAC-LBPRGKRZSA-N 2 2 264.369 2.147 20 10 CECDLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185008537 262038161 /nfs/dbraw/zinc/03/81/61/262038161.db2.gz KSNDBDNKLWJKAS-GFCCVEGCSA-N 2 2 284.375 2.150 20 10 CECDLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185008537 262038163 /nfs/dbraw/zinc/03/81/63/262038163.db2.gz KSNDBDNKLWJKAS-GFCCVEGCSA-N 2 2 284.375 2.150 20 10 CECDLP C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C[NH+]1CCOCC1 ZINC000185505617 262058136 /nfs/dbraw/zinc/05/81/36/262058136.db2.gz KGOWRUVTZNMLLX-STQMWFEESA-N 2 2 296.386 2.150 20 10 CECDLP CN1CCc2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000368091847 267145481 /nfs/dbraw/zinc/14/54/81/267145481.db2.gz YAHFCXOXIMADIW-CQSZACIVSA-N 2 2 282.391 2.049 20 10 CECDLP CN1CCc2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)ccc21 ZINC000368091847 267145483 /nfs/dbraw/zinc/14/54/83/267145483.db2.gz YAHFCXOXIMADIW-CQSZACIVSA-N 2 2 282.391 2.049 20 10 CECDLP Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369393369 267239493 /nfs/dbraw/zinc/23/94/93/267239493.db2.gz WZOZKHBEYGLIJM-OAHLLOKOSA-N 2 2 270.332 2.441 20 10 CECDLP Oc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369393369 267239496 /nfs/dbraw/zinc/23/94/96/267239496.db2.gz WZOZKHBEYGLIJM-OAHLLOKOSA-N 2 2 270.332 2.441 20 10 CECDLP Oc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527804827 330284372 /nfs/dbraw/zinc/28/43/72/330284372.db2.gz BTZOFNWYZWYTOH-OAHLLOKOSA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527804827 330284373 /nfs/dbraw/zinc/28/43/73/330284373.db2.gz BTZOFNWYZWYTOH-OAHLLOKOSA-N 2 2 260.381 2.499 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1O ZINC000252548372 334382358 /nfs/dbraw/zinc/38/23/58/334382358.db2.gz MMTTXRKKFWXDJA-UBHSHLNASA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1O ZINC000252548372 334382360 /nfs/dbraw/zinc/38/23/60/334382360.db2.gz MMTTXRKKFWXDJA-UBHSHLNASA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1O ZINC000902450778 634673547 /nfs/dbraw/zinc/67/35/47/634673547.db2.gz UJMNELXZUOHTHY-TVQRCGJNSA-N 2 2 252.333 2.180 20 10 CECDLP COc1cc(C)cc(C[NH2+]CCCn2cc[nH+]c2)c1O ZINC000894145116 629168234 /nfs/dbraw/zinc/16/82/34/629168234.db2.gz HKHHAVKHUBEPMB-UHFFFAOYSA-N 2 2 275.352 2.086 20 10 CECDLP COc1cc(C)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000894173973 629189231 /nfs/dbraw/zinc/18/92/31/629189231.db2.gz MRKKCKMRZJOGNU-LBPRGKRZSA-N 2 2 275.352 2.084 20 10 CECDLP Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841032337 631820384 /nfs/dbraw/zinc/82/03/84/631820384.db2.gz CPXZDJQUHUWGEE-GFCCVEGCSA-N 2 2 299.212 2.386 20 10 CECDLP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(F)F)cc2)CC1 ZINC000815146749 632972365 /nfs/dbraw/zinc/97/23/65/632972365.db2.gz IXXGDCRAWAMEPD-UHFFFAOYSA-N 2 2 283.366 2.183 20 10 CECDLP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817941795 633790099 /nfs/dbraw/zinc/79/00/99/633790099.db2.gz RSRAJJDRWQNCDL-VIFPVBQESA-N 2 2 270.323 2.321 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950803 633796470 /nfs/dbraw/zinc/79/64/70/633796470.db2.gz ZGECGCNAYHRQBA-ZYHUDNBSSA-N 2 2 252.333 2.324 20 10 CECDLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817960931 633802377 /nfs/dbraw/zinc/80/23/77/633802377.db2.gz UPNMRDLHAVKRBC-NSHDSACASA-N 2 2 294.395 2.347 20 10 CECDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817971530 633812184 /nfs/dbraw/zinc/81/21/84/633812184.db2.gz DWEVCBNIONMMBF-YUMQZZPRSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1O ZINC000817970113 633814288 /nfs/dbraw/zinc/81/42/88/633814288.db2.gz LIVYJOMIDLPOCU-JGVFFNPUSA-N 2 2 262.275 2.409 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1O ZINC000817972656 633815696 /nfs/dbraw/zinc/81/56/96/633815696.db2.gz ZHJVJGDTMADSBO-KKZNHRDASA-N 2 2 270.323 2.462 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1O ZINC000817972658 633816217 /nfs/dbraw/zinc/81/62/17/633816217.db2.gz ZHJVJGDTMADSBO-YWVKMMECSA-N 2 2 270.323 2.462 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)cc(F)c1O ZINC000817982704 633826240 /nfs/dbraw/zinc/82/62/40/633826240.db2.gz VOVRPENVPIYNIG-ATZCPNFKSA-N 2 2 270.323 2.448 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982992 633826510 /nfs/dbraw/zinc/82/65/10/633826510.db2.gz JHFSTQMAOKGLLS-WCQYABFASA-N 2 2 284.787 2.075 20 10 CECDLP C[NH+](C)CCC[NH2+]Cc1cccc(Br)c1O ZINC000042411707 633965259 /nfs/dbraw/zinc/96/52/59/633965259.db2.gz KDNKWKGSGYTJPJ-UHFFFAOYSA-N 2 2 287.201 2.196 20 10 CECDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355013 635586793 /nfs/dbraw/zinc/58/67/93/635586793.db2.gz JSYYZLDTDMWJMZ-WFASDCNBSA-N 2 2 260.381 2.099 20 10 CECDLP c1cc2c(cc1C[NH2+][C@@]13CCC[C@@H]1[NH2+]CC3)CCCO2 ZINC000904383736 635605763 /nfs/dbraw/zinc/60/57/63/635605763.db2.gz CZHJMRKMGWJXPR-DLBZAZTESA-N 2 2 272.392 2.386 20 10 CECDLP Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420179 635631531 /nfs/dbraw/zinc/63/15/31/635631531.db2.gz FSWRJRVOZOYQPI-CMPLNLGQSA-N 2 2 266.772 2.087 20 10 CECDLP Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420179 635631536 /nfs/dbraw/zinc/63/15/36/635631536.db2.gz FSWRJRVOZOYQPI-CMPLNLGQSA-N 2 2 266.772 2.087 20 10 CECDLP CC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000226562089 639553514 /nfs/dbraw/zinc/55/35/14/639553514.db2.gz HJJARPRMWBZYOR-UHFFFAOYSA-N 2 2 266.360 2.447 20 10 CECDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000226562089 639553520 /nfs/dbraw/zinc/55/35/20/639553520.db2.gz HJJARPRMWBZYOR-UHFFFAOYSA-N 2 2 266.360 2.447 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000840938369 639592206 /nfs/dbraw/zinc/59/22/06/639592206.db2.gz OEYSCSSRGMKKGF-HNNXBMFYSA-N 2 2 284.407 2.362 20 10 CECDLP Cc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1O ZINC000841034246 639626109 /nfs/dbraw/zinc/62/61/09/639626109.db2.gz BNOZVKAIWLVCGW-OAHLLOKOSA-N 2 2 256.349 2.490 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000841046261 639631119 /nfs/dbraw/zinc/63/11/19/639631119.db2.gz YQKPPYSBDZGIAR-WFASDCNBSA-N 2 2 279.453 2.095 20 10 CECDLP COC1CCC([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000841044898 639631333 /nfs/dbraw/zinc/63/13/33/639631333.db2.gz FSJPQVYGTAZNJJ-PREGVCBESA-N 2 2 291.439 2.300 20 10 CECDLP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000841085054 639649381 /nfs/dbraw/zinc/64/93/81/639649381.db2.gz SVYIYKRXSMRIKO-ONGXEEELSA-N 2 2 299.212 2.372 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000841091473 639654596 /nfs/dbraw/zinc/65/45/96/639654596.db2.gz YRPUPVYVEAZQMA-JFDDCEBESA-N 2 2 273.424 2.498 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000843048407 640252539 /nfs/dbraw/zinc/25/25/39/640252539.db2.gz QKSJRUQPOLCGNI-SNVBAGLBSA-N 2 2 299.212 2.244 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000843048407 640252551 /nfs/dbraw/zinc/25/25/51/640252551.db2.gz QKSJRUQPOLCGNI-SNVBAGLBSA-N 2 2 299.212 2.244 20 10 CECDLP C[N@H+](Cc1cccc(F)c1O)C1CCC([NH3+])CC1 ZINC000843055938 640258632 /nfs/dbraw/zinc/25/86/32/640258632.db2.gz SIPLYDMFQRHYBC-UHFFFAOYSA-N 2 2 252.333 2.233 20 10 CECDLP C[N@@H+](Cc1cccc(F)c1O)C1CCC([NH3+])CC1 ZINC000843055938 640258635 /nfs/dbraw/zinc/25/86/35/640258635.db2.gz SIPLYDMFQRHYBC-UHFFFAOYSA-N 2 2 252.333 2.233 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056807 640258789 /nfs/dbraw/zinc/25/87/89/640258789.db2.gz AICTXFDFMZVADI-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000843056807 640258793 /nfs/dbraw/zinc/25/87/93/640258793.db2.gz AICTXFDFMZVADI-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1O ZINC000843057876 640260278 /nfs/dbraw/zinc/26/02/78/640260278.db2.gz NFFQESDXLDGPEL-ZJUUUORDSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1O ZINC000843057876 640260282 /nfs/dbraw/zinc/26/02/82/640260282.db2.gz NFFQESDXLDGPEL-ZJUUUORDSA-N 2 2 299.212 2.324 20 10 CECDLP COc1ccc(N(C)CC[N@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000844902927 640860885 /nfs/dbraw/zinc/86/08/85/640860885.db2.gz XXOOIMPJBQBAHM-HNNXBMFYSA-N 2 2 293.455 2.437 20 10 CECDLP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000844902927 640860890 /nfs/dbraw/zinc/86/08/90/640860890.db2.gz XXOOIMPJBQBAHM-HNNXBMFYSA-N 2 2 293.455 2.437 20 10 CECDLP COc1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1O ZINC000846168448 641210245 /nfs/dbraw/zinc/21/02/45/641210245.db2.gz CTWQEYUAUZGJIG-MNOVXSKESA-N 2 2 287.363 2.332 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000853248629 643721915 /nfs/dbraw/zinc/72/19/15/643721915.db2.gz HZGAVYPUPKEPBF-SECBINFHSA-N 2 2 287.201 2.161 20 10 CECDLP CCOc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877707152 650862871 /nfs/dbraw/zinc/86/28/71/650862871.db2.gz YCYUEBLSMKJVCF-INIZCTEOSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877707152 650862875 /nfs/dbraw/zinc/86/28/75/650862875.db2.gz YCYUEBLSMKJVCF-INIZCTEOSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC000863484230 646740784 /nfs/dbraw/zinc/74/07/84/646740784.db2.gz IGXFETKMYMSBMT-WCQYABFASA-N 2 2 264.369 2.021 20 10 CECDLP CCOc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230016 649601463 /nfs/dbraw/zinc/60/14/63/649601463.db2.gz KWGDYYVHESDAQA-HOCLYGCPSA-N 2 2 276.380 2.165 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000386111700 813152803 /nfs/dbraw/zinc/15/28/03/813152803.db2.gz LOBGNYIJJXMDJT-CZUORRHYSA-N 2 2 261.413 2.373 20 10 CECDLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001140342573 816238203 /nfs/dbraw/zinc/23/82/03/816238203.db2.gz PPSBTMVCOXYMST-VXGBXAGGSA-N 2 2 280.799 2.429 20 10 CECDLP Cc1cc(F)cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206371698 816839497 /nfs/dbraw/zinc/83/94/97/816839497.db2.gz UYWLBVNTFAYNKA-HNNXBMFYSA-N 2 2 284.350 2.493 20 10 CECDLP Cc1cc(F)cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206371698 816839502 /nfs/dbraw/zinc/83/95/02/816839502.db2.gz UYWLBVNTFAYNKA-HNNXBMFYSA-N 2 2 284.350 2.493 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC000194536520 370048451 /nfs/dbraw/zinc/04/84/51/370048451.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC000194536520 370048453 /nfs/dbraw/zinc/04/84/53/370048453.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC000194536520 370048456 /nfs/dbraw/zinc/04/84/56/370048456.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC000194536520 370048458 /nfs/dbraw/zinc/04/84/58/370048458.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000155936752 261109877 /nfs/dbraw/zinc/10/98/77/261109877.db2.gz PKOXZESLHKKWAD-GDBMZVCRSA-N 2 2 292.423 2.401 20 10 CECDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000155936626 261110224 /nfs/dbraw/zinc/11/02/24/261110224.db2.gz PKOXZESLHKKWAD-ZBFHGGJFSA-N 2 2 292.423 2.401 20 10 CECDLP COc1ccc(O)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000367435101 261964464 /nfs/dbraw/zinc/96/44/64/261964464.db2.gz AQNRKWQNXMIFJC-UHFFFAOYSA-N 2 2 287.363 2.223 20 10 CECDLP CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000369612423 267255018 /nfs/dbraw/zinc/25/50/18/267255018.db2.gz IAZUKXYYBZTXNP-UKRRQHHQSA-N 2 2 278.396 2.106 20 10 CECDLP CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000369612423 267255019 /nfs/dbraw/zinc/25/50/19/267255019.db2.gz IAZUKXYYBZTXNP-UKRRQHHQSA-N 2 2 278.396 2.106 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377887665 329033404 /nfs/dbraw/zinc/03/34/04/329033404.db2.gz GODMANCTRTYKAO-CYBMUJFWSA-N 2 2 271.364 2.424 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377887665 329033405 /nfs/dbraw/zinc/03/34/05/329033405.db2.gz GODMANCTRTYKAO-CYBMUJFWSA-N 2 2 271.364 2.424 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]CCn2cc[nH+]c2)c1O ZINC000228669554 329059050 /nfs/dbraw/zinc/05/90/50/329059050.db2.gz NZEIIYKITJFVFB-UHFFFAOYSA-N 2 2 281.743 2.041 20 10 CECDLP Oc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000227434644 329272854 /nfs/dbraw/zinc/27/28/54/329272854.db2.gz MLZMIOUVMWDNSL-UHFFFAOYSA-N 2 2 296.168 2.141 20 10 CECDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1O ZINC000290384014 522805295 /nfs/dbraw/zinc/80/52/95/522805295.db2.gz IHHCWODMEKTUJC-UHFFFAOYSA-N 2 2 263.316 2.250 20 10 CECDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1O ZINC000290384014 522805304 /nfs/dbraw/zinc/80/53/04/522805304.db2.gz IHHCWODMEKTUJC-UHFFFAOYSA-N 2 2 263.316 2.250 20 10 CECDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062747596 524963206 /nfs/dbraw/zinc/96/32/06/524963206.db2.gz SMLHPDHBPGBXCR-QWRGUYRKSA-N 2 2 263.316 2.467 20 10 CECDLP Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311210129 627391039 /nfs/dbraw/zinc/39/10/39/627391039.db2.gz KZKNJEBSCHJXAB-GXFFZTMASA-N 2 2 266.772 2.229 20 10 CECDLP Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311210129 627391043 /nfs/dbraw/zinc/39/10/43/627391043.db2.gz KZKNJEBSCHJXAB-GXFFZTMASA-N 2 2 266.772 2.229 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841031279 631816840 /nfs/dbraw/zinc/81/68/40/631816840.db2.gz ZUKKHSCSJUQBDA-UHFFFAOYSA-N 2 2 258.724 2.026 20 10 CECDLP COc1ccc(O)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000809753303 632140477 /nfs/dbraw/zinc/14/04/77/632140477.db2.gz PXLDMNCZJGVHNQ-UHFFFAOYSA-N 2 2 275.352 2.119 20 10 CECDLP COc1ccc(O)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000809753303 632140481 /nfs/dbraw/zinc/14/04/81/632140481.db2.gz PXLDMNCZJGVHNQ-UHFFFAOYSA-N 2 2 275.352 2.119 20 10 CECDLP COCC(C)(C)C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043313 632337358 /nfs/dbraw/zinc/33/73/58/632337358.db2.gz RETXYKBQVPNUFQ-OAHLLOKOSA-N 2 2 279.428 2.015 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941437 633790123 /nfs/dbraw/zinc/79/01/23/633790123.db2.gz QHJACSDRZYVOLU-GXSJLCMTSA-N 2 2 254.761 2.448 20 10 CECDLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817944640 633792655 /nfs/dbraw/zinc/79/26/55/633792655.db2.gz ITGPZNDRANZWLK-PWSUYJOCSA-N 2 2 254.761 2.448 20 10 CECDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1O ZINC000817950156 633794606 /nfs/dbraw/zinc/79/46/06/633794606.db2.gz WZBQURVVKGYMGI-ZDUSSCGKSA-N 2 2 298.390 2.370 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000817949866 633794637 /nfs/dbraw/zinc/79/46/37/633794637.db2.gz OMHAWZBAXBPGHZ-NEPJUHHUSA-N 2 2 264.369 2.194 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817969202 633812154 /nfs/dbraw/zinc/81/21/54/633812154.db2.gz RQDGZVJSTWGYBE-MWLCHTKSSA-N 2 2 270.323 2.463 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817973456 633816629 /nfs/dbraw/zinc/81/66/29/633816629.db2.gz UCMPBEUIHOOPHI-RQJHMYQMSA-N 2 2 291.164 2.292 20 10 CECDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974210 633817227 /nfs/dbraw/zinc/81/72/27/633817227.db2.gz JKIWGHGFFOIEOQ-YOEHRIQHSA-N 2 2 291.439 2.172 20 10 CECDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982993 633827480 /nfs/dbraw/zinc/82/74/80/633827480.db2.gz JHFSTQMAOKGLLS-YPMHNXCESA-N 2 2 284.787 2.075 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000835038925 638033747 /nfs/dbraw/zinc/03/37/47/638033747.db2.gz ZQHWQBKPEHHXSG-XQDHMALISA-N 2 2 273.424 2.450 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000835038925 638033751 /nfs/dbraw/zinc/03/37/51/638033751.db2.gz ZQHWQBKPEHHXSG-XQDHMALISA-N 2 2 273.424 2.450 20 10 CECDLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(O)c1 ZINC000876958445 650506166 /nfs/dbraw/zinc/50/61/66/650506166.db2.gz DDXDOMQGHJIRQS-UHFFFAOYSA-N 2 2 259.353 2.467 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000840928551 639588904 /nfs/dbraw/zinc/58/89/04/639588904.db2.gz YGVJSIHBQOQNEF-UHFFFAOYSA-N 2 2 272.396 2.437 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC[NH2+]1 ZINC000841062836 639638212 /nfs/dbraw/zinc/63/82/12/639638212.db2.gz YHLORBPXJAURFS-KCJUWKMLSA-N 2 2 272.751 2.415 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000841065227 639640475 /nfs/dbraw/zinc/64/04/75/639640475.db2.gz ZFOQCLZYMSMPLK-BXKDBHETSA-N 2 2 254.761 2.133 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843353955 640400257 /nfs/dbraw/zinc/40/02/57/640400257.db2.gz RUQGEWPQYLFFLR-ZYHUDNBSSA-N 2 2 294.370 2.293 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843353955 640400263 /nfs/dbraw/zinc/40/02/63/640400263.db2.gz RUQGEWPQYLFFLR-ZYHUDNBSSA-N 2 2 294.370 2.293 20 10 CECDLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000846142208 641198647 /nfs/dbraw/zinc/19/86/47/641198647.db2.gz DFQJEPNWQLGGAU-VXGBXAGGSA-N 2 2 264.369 2.146 20 10 CECDLP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000846142208 641198703 /nfs/dbraw/zinc/19/87/03/641198703.db2.gz DFQJEPNWQLGGAU-VXGBXAGGSA-N 2 2 264.369 2.146 20 10 CECDLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000846142205 641198933 /nfs/dbraw/zinc/19/89/33/641198933.db2.gz DFQJEPNWQLGGAU-NWDGAFQWSA-N 2 2 264.369 2.146 20 10 CECDLP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000846142205 641198936 /nfs/dbraw/zinc/19/89/36/641198936.db2.gz DFQJEPNWQLGGAU-NWDGAFQWSA-N 2 2 264.369 2.146 20 10 CECDLP Cc1cc(O)c(C[NH2+]CCc2c[nH+]cn2C)c(Cl)c1 ZINC000857782909 644967438 /nfs/dbraw/zinc/96/74/38/644967438.db2.gz JGUJCTJAEURORE-UHFFFAOYSA-N 2 2 279.771 2.420 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484763 646740854 /nfs/dbraw/zinc/74/08/54/646740854.db2.gz LVAVVWFNKCRKCP-WCQYABFASA-N 2 2 264.369 2.021 20 10 CECDLP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1O ZINC000863542159 646751925 /nfs/dbraw/zinc/75/19/25/646751925.db2.gz SHYTVBWLAIXUOK-ZDUSSCGKSA-N 2 2 282.359 2.080 20 10 CECDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000708481125 809928489 /nfs/dbraw/zinc/92/84/89/809928489.db2.gz OKUMAVNSHDOCOH-SNVBAGLBSA-N 2 2 282.334 2.244 20 10 CECDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000708481125 809928492 /nfs/dbraw/zinc/92/84/92/809928492.db2.gz OKUMAVNSHDOCOH-SNVBAGLBSA-N 2 2 282.334 2.244 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1F ZINC001206174789 815493660 /nfs/dbraw/zinc/49/36/60/815493660.db2.gz PNCNDABTOPXKRC-RYUDHWBXSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1F ZINC001206174789 815493663 /nfs/dbraw/zinc/49/36/63/815493663.db2.gz PNCNDABTOPXKRC-RYUDHWBXSA-N 2 2 272.751 2.307 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386111698 813153239 /nfs/dbraw/zinc/15/32/39/813153239.db2.gz LOBGNYIJJXMDJT-CJNGLKHVSA-N 2 2 261.413 2.373 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272609188 373579879 /nfs/dbraw/zinc/57/98/79/373579879.db2.gz KDYYAKKCWJXRPJ-BBRMVZONSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272609188 373579886 /nfs/dbraw/zinc/57/98/86/373579886.db2.gz KDYYAKKCWJXRPJ-BBRMVZONSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272609188 373579893 /nfs/dbraw/zinc/57/98/93/373579893.db2.gz KDYYAKKCWJXRPJ-BBRMVZONSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272609188 373579902 /nfs/dbraw/zinc/57/99/02/373579902.db2.gz KDYYAKKCWJXRPJ-BBRMVZONSA-N 2 2 290.407 2.317 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272625514 373587867 /nfs/dbraw/zinc/58/78/67/373587867.db2.gz MKGITCYIMNWNSH-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272625514 373587872 /nfs/dbraw/zinc/58/78/72/373587872.db2.gz MKGITCYIMNWNSH-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C[NH+]1CCOCC1 ZINC000120293422 394777282 /nfs/dbraw/zinc/77/72/82/394777282.db2.gz OMARJPGEFXYGLO-LBPRGKRZSA-N 2 2 298.814 2.104 20 10 CECDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000185504773 262057155 /nfs/dbraw/zinc/05/71/55/262057155.db2.gz GQSGABZFUCWGEE-GJZGRUSLSA-N 2 2 292.423 2.320 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)ccc1O ZINC000251791522 334369775 /nfs/dbraw/zinc/36/97/75/334369775.db2.gz VZBKCRZSEROYNE-FPMFFAJLSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)ccc1O ZINC000251791522 334369776 /nfs/dbraw/zinc/36/97/76/334369776.db2.gz VZBKCRZSEROYNE-FPMFFAJLSA-N 2 2 294.370 2.045 20 10 CECDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293261026 523611238 /nfs/dbraw/zinc/61/12/38/523611238.db2.gz CAGKZVKSFIWPON-CQSZACIVSA-N 2 2 280.412 2.238 20 10 CECDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293261026 523611246 /nfs/dbraw/zinc/61/12/46/523611246.db2.gz CAGKZVKSFIWPON-CQSZACIVSA-N 2 2 280.412 2.238 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617560 524795015 /nfs/dbraw/zinc/79/50/15/524795015.db2.gz GNYIBNMUYZJYDL-GHMZBOCLSA-N 2 2 263.316 2.467 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902464640 634683338 /nfs/dbraw/zinc/68/33/38/634683338.db2.gz BAZURWOLPHESJN-DDUYRFODSA-N 2 2 259.397 2.296 20 10 CECDLP c1cc2c(cc1C[NH2+]C[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000258966561 629216259 /nfs/dbraw/zinc/21/62/59/629216259.db2.gz SYCICBXNHZMXIF-HNNXBMFYSA-N 2 2 260.381 2.243 20 10 CECDLP C[C@@H](CC[NH2+]Cc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC000895293254 630084422 /nfs/dbraw/zinc/08/44/22/630084422.db2.gz XCOUGXHFTZKPRW-NSHDSACASA-N 2 2 285.382 2.461 20 10 CECDLP Cc1ccc(C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c(O)c1 ZINC000896299075 630521446 /nfs/dbraw/zinc/52/14/46/630521446.db2.gz QKWCXBSBXDODKB-UHFFFAOYSA-N 2 2 271.364 2.451 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636491 630620840 /nfs/dbraw/zinc/62/08/40/630620840.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 2 2 264.344 2.248 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636491 630620841 /nfs/dbraw/zinc/62/08/41/630620841.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 2 2 264.344 2.248 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CC[N@@H+]1C ZINC000896637393 630621061 /nfs/dbraw/zinc/62/10/61/630621061.db2.gz JPWRPQLMFIETTO-WDEREUQCSA-N 2 2 252.333 2.104 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CC[N@H+]1C ZINC000896637393 630621068 /nfs/dbraw/zinc/62/10/68/630621068.db2.gz JPWRPQLMFIETTO-WDEREUQCSA-N 2 2 252.333 2.104 20 10 CECDLP CCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)c(O)c1 ZINC000843125446 631737329 /nfs/dbraw/zinc/73/73/29/631737329.db2.gz WQTLYRJXAPJEOQ-UHFFFAOYSA-N 2 2 264.369 2.104 20 10 CECDLP CCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)c(O)c1 ZINC000843125446 631737335 /nfs/dbraw/zinc/73/73/35/631737335.db2.gz WQTLYRJXAPJEOQ-UHFFFAOYSA-N 2 2 264.369 2.104 20 10 CECDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841065023 632399893 /nfs/dbraw/zinc/39/98/93/632399893.db2.gz LGTATRYFPZOMNF-RISCZKNCSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Br)ccc1O ZINC000817945026 633792437 /nfs/dbraw/zinc/79/24/37/633792437.db2.gz RPVJAUBGMIGLKJ-SCZZXKLOSA-N 2 2 285.185 2.167 20 10 CECDLP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817977255 633820503 /nfs/dbraw/zinc/82/05/03/633820503.db2.gz FQCVEMUFUAJRFJ-RKDXNWHRSA-N 2 2 258.312 2.448 20 10 CECDLP CC(C)([NH3+])CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000903940140 635372967 /nfs/dbraw/zinc/37/29/67/635372967.db2.gz YLQFJXFHUHAHAW-UHFFFAOYSA-N 2 2 260.740 2.402 20 10 CECDLP Oc1c(Br)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032549 639624103 /nfs/dbraw/zinc/62/41/03/639624103.db2.gz GSLKQXCSXQVRHN-JTQLQIEISA-N 2 2 299.212 2.244 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841032621 639625541 /nfs/dbraw/zinc/62/55/41/639625541.db2.gz IDEFCBNQKZZKAR-GFCCVEGCSA-N 2 2 254.761 2.277 20 10 CECDLP COCC1(C[NH2+]Cc2cccc(Cl)c2O)CC[NH2+]CC1 ZINC000841067507 639642727 /nfs/dbraw/zinc/64/27/27/639642727.db2.gz BEIMULVSAKZRSU-UHFFFAOYSA-N 2 2 298.814 2.151 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085629 639651508 /nfs/dbraw/zinc/65/15/08/639651508.db2.gz JBLHXURGLYYNJV-JFDDCEBESA-N 2 2 273.424 2.496 20 10 CECDLP [NH3+]C[C@H]([NH2+]Cc1cccc(F)c1O)C1CCCC1 ZINC000841085746 639651965 /nfs/dbraw/zinc/65/19/65/639651965.db2.gz CGJMLPZXOJZSCH-ZDUSSCGKSA-N 2 2 252.333 2.138 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000842478600 640077701 /nfs/dbraw/zinc/07/77/01/640077701.db2.gz LDCOACARPABGLJ-ZWNOBZJWSA-N 2 2 294.370 2.151 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000842478600 640077707 /nfs/dbraw/zinc/07/77/07/640077707.db2.gz LDCOACARPABGLJ-ZWNOBZJWSA-N 2 2 294.370 2.151 20 10 CECDLP C[NH2+]C1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000843049719 640253961 /nfs/dbraw/zinc/25/39/61/640253961.db2.gz TWCSJKFHFIVJDV-SNAWJCMRSA-N 2 2 273.424 2.450 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000843051754 640255157 /nfs/dbraw/zinc/25/51/57/640255157.db2.gz LJUHNVOYJRBRIY-SWLSCSKDSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000843051754 640255164 /nfs/dbraw/zinc/25/51/64/640255164.db2.gz LJUHNVOYJRBRIY-SWLSCSKDSA-N 2 2 278.396 2.350 20 10 CECDLP CC[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843052741 640256358 /nfs/dbraw/zinc/25/63/58/640256358.db2.gz SHKFXQWVRZXZSE-GWCFXTLKSA-N 2 2 252.333 2.091 20 10 CECDLP CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843052741 640256362 /nfs/dbraw/zinc/25/63/62/640256362.db2.gz SHKFXQWVRZXZSE-GWCFXTLKSA-N 2 2 252.333 2.091 20 10 CECDLP C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843118049 640287374 /nfs/dbraw/zinc/28/73/74/640287374.db2.gz ZOKWEENAGZRXSI-CYBMUJFWSA-N 2 2 254.761 2.216 20 10 CECDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843118049 640287376 /nfs/dbraw/zinc/28/73/76/640287376.db2.gz ZOKWEENAGZRXSI-CYBMUJFWSA-N 2 2 254.761 2.216 20 10 CECDLP COc1cccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1O ZINC000846168449 641210735 /nfs/dbraw/zinc/21/07/35/641210735.db2.gz CTWQEYUAUZGJIG-QWRGUYRKSA-N 2 2 287.363 2.332 20 10 CECDLP COc1ccc(N2CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C2)cc1 ZINC000849350344 642340236 /nfs/dbraw/zinc/34/02/36/642340236.db2.gz NZELHVSRDOKFLL-AWEZNQCLSA-N 2 2 291.439 2.252 20 10 CECDLP CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000923424897 643704194 /nfs/dbraw/zinc/70/41/94/643704194.db2.gz IHJMGQWIZNUBFQ-HNNXBMFYSA-N 2 2 261.413 2.245 20 10 CECDLP CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000923424897 643704197 /nfs/dbraw/zinc/70/41/97/643704197.db2.gz IHJMGQWIZNUBFQ-HNNXBMFYSA-N 2 2 261.413 2.245 20 10 CECDLP CCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(O)c1 ZINC000768530887 646135925 /nfs/dbraw/zinc/13/59/25/646135925.db2.gz ZUFXJYAXZCMHRN-UHFFFAOYSA-N 2 2 278.396 2.317 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863484952 646740324 /nfs/dbraw/zinc/74/03/24/646740324.db2.gz QNNIHDOOAINSTN-WCQYABFASA-N 2 2 264.369 2.021 20 10 CECDLP CC[C@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1O ZINC000863548193 646753918 /nfs/dbraw/zinc/75/39/18/646753918.db2.gz VPDZMOPGVCKMNH-ZDUSSCGKSA-N 2 2 286.803 2.452 20 10 CECDLP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C[NH+]1CCCC1 ZINC000708557818 809945652 /nfs/dbraw/zinc/94/56/52/809945652.db2.gz BOVDMHMLCFEITG-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP CC[NH+]1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001169261951 811451988 /nfs/dbraw/zinc/45/19/88/811451988.db2.gz RYLABROLNWCFHA-UHFFFAOYSA-N 2 2 290.407 2.330 20 10 CECDLP CC[NH+]1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001169261951 811451996 /nfs/dbraw/zinc/45/19/96/811451996.db2.gz RYLABROLNWCFHA-UHFFFAOYSA-N 2 2 290.407 2.330 20 10 CECDLP CC[N@H+](Cc1ccc(O)c(C)c1O)C1CC[NH+](C)CC1 ZINC001140745984 816341685 /nfs/dbraw/zinc/34/16/85/816341685.db2.gz RMEDPSPNIMMCRU-UHFFFAOYSA-N 2 2 278.396 2.322 20 10 CECDLP CC[N@@H+](Cc1ccc(O)c(C)c1O)C1CC[NH+](C)CC1 ZINC001140745984 816341691 /nfs/dbraw/zinc/34/16/91/816341691.db2.gz RMEDPSPNIMMCRU-UHFFFAOYSA-N 2 2 278.396 2.322 20 10 CECDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@H]2C1 ZINC001142531085 816681198 /nfs/dbraw/zinc/68/11/98/816681198.db2.gz PJBAJRAUVUCNLC-CHWSQXEVSA-N 2 2 296.361 2.444 20 10 CECDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1O ZINC000179585543 368343227 /nfs/dbraw/zinc/34/32/27/368343227.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 2 2 260.381 2.451 20 10 CECDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1O ZINC000179585543 368343234 /nfs/dbraw/zinc/34/32/34/368343234.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 2 2 260.381 2.451 20 10 CECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000179585543 368343240 /nfs/dbraw/zinc/34/32/40/368343240.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 2 2 260.381 2.451 20 10 CECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC000179585543 368343242 /nfs/dbraw/zinc/34/32/42/368343242.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 2 2 260.381 2.451 20 10 CECDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611758 373580506 /nfs/dbraw/zinc/58/05/06/373580506.db2.gz KMDFKDDCTRXLOP-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611758 373580513 /nfs/dbraw/zinc/58/05/13/373580513.db2.gz KMDFKDDCTRXLOP-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611758 373580520 /nfs/dbraw/zinc/58/05/20/373580520.db2.gz KMDFKDDCTRXLOP-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611758 373580528 /nfs/dbraw/zinc/58/05/28/373580528.db2.gz KMDFKDDCTRXLOP-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP CN(C)c1ccc(C2=CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000374781373 374629745 /nfs/dbraw/zinc/62/97/45/374629745.db2.gz NYBILBWHRPRMNX-UHFFFAOYSA-N 2 2 282.391 2.348 20 10 CECDLP CN(C)c1ccc(C2=CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000374781373 374629746 /nfs/dbraw/zinc/62/97/46/374629746.db2.gz NYBILBWHRPRMNX-UHFFFAOYSA-N 2 2 282.391 2.348 20 10 CECDLP C[NH+](C)CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000492808181 380696441 /nfs/dbraw/zinc/69/64/41/380696441.db2.gz COCLXGOTDBOJTA-HJWRWDBZSA-N 2 2 284.363 2.018 20 10 CECDLP CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000369613324 267254981 /nfs/dbraw/zinc/25/49/81/267254981.db2.gz IAZUKXYYBZTXNP-ZFWWWQNUSA-N 2 2 278.396 2.106 20 10 CECDLP CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000369613324 267254983 /nfs/dbraw/zinc/25/49/83/267254983.db2.gz IAZUKXYYBZTXNP-ZFWWWQNUSA-N 2 2 278.396 2.106 20 10 CECDLP [NH3+][C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000313905923 628664189 /nfs/dbraw/zinc/66/41/89/628664189.db2.gz QEYLAIWCTNGNPN-JKSUJKDBSA-N 2 2 286.350 2.458 20 10 CECDLP [NH3+][C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000313905923 628664192 /nfs/dbraw/zinc/66/41/92/628664192.db2.gz QEYLAIWCTNGNPN-JKSUJKDBSA-N 2 2 286.350 2.458 20 10 CECDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925781809 628809275 /nfs/dbraw/zinc/80/92/75/628809275.db2.gz GOABNRPTGOZMRJ-XJKCOSOUSA-N 2 2 261.413 2.401 20 10 CECDLP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000817944987 633792763 /nfs/dbraw/zinc/79/27/63/633792763.db2.gz QUYBGIWGOTXVMP-KOLCDFICSA-N 2 2 299.212 2.476 20 10 CECDLP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000817955936 633800051 /nfs/dbraw/zinc/80/00/51/633800051.db2.gz LTIUMFAXFLNWCA-WFASDCNBSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000817955936 633800065 /nfs/dbraw/zinc/80/00/65/633800065.db2.gz LTIUMFAXFLNWCA-WFASDCNBSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817968702 633811614 /nfs/dbraw/zinc/81/16/14/633811614.db2.gz WFRCLRFWKARZHN-HEHGZKQESA-N 2 2 261.413 2.401 20 10 CECDLP COC[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975890 633818707 /nfs/dbraw/zinc/81/87/07/633818707.db2.gz ZFQJCUFJJWNQEJ-XHDPSFHLSA-N 2 2 298.814 2.465 20 10 CECDLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)c(O)c1 ZINC000876880613 650470512 /nfs/dbraw/zinc/47/05/12/650470512.db2.gz LGFVORBXXUBMNZ-INIZCTEOSA-N 2 2 292.423 2.147 20 10 CECDLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)c(O)c1 ZINC000876880613 650470514 /nfs/dbraw/zinc/47/05/14/650470514.db2.gz LGFVORBXXUBMNZ-INIZCTEOSA-N 2 2 292.423 2.147 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH2+]1 ZINC000841062129 639638038 /nfs/dbraw/zinc/63/80/38/639638038.db2.gz GIHQKSQVCCJPBI-RKDXNWHRSA-N 2 2 272.751 2.415 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841063239 639638066 /nfs/dbraw/zinc/63/80/66/639638066.db2.gz GUKKFPVJXUEWPP-KCJUWKMLSA-N 2 2 272.751 2.272 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@@H](C)C[NH3+])cc1F ZINC000841063517 639639750 /nfs/dbraw/zinc/63/97/50/639639750.db2.gz KZVFTFQMVQWQRF-NSHDSACASA-N 2 2 253.365 2.109 20 10 CECDLP CC1([NH2+]Cc2cccc(Br)c2O)CC[NH2+]CC1 ZINC000841065333 639640567 /nfs/dbraw/zinc/64/05/67/639640567.db2.gz OCCDELVVGJBDMU-UHFFFAOYSA-N 2 2 299.212 2.386 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1O ZINC000842476087 640074656 /nfs/dbraw/zinc/07/46/56/640074656.db2.gz GHKPCWVEZFYJPI-AMJWSMQMSA-N 2 2 294.370 2.210 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1O ZINC000843058523 640261937 /nfs/dbraw/zinc/26/19/37/640261937.db2.gz VBMSODVKMFUOCS-ZJUUUORDSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1O ZINC000843058523 640261940 /nfs/dbraw/zinc/26/19/40/640261940.db2.gz VBMSODVKMFUOCS-ZJUUUORDSA-N 2 2 254.761 2.215 20 10 CECDLP Cc1cccc(O)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000877429142 650716687 /nfs/dbraw/zinc/71/66/87/650716687.db2.gz CDUUZGKYSHIYJF-GFCCVEGCSA-N 2 2 257.337 2.002 20 10 CECDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817970114 642186909 /nfs/dbraw/zinc/18/69/09/642186909.db2.gz LIVYJOMIDLPOCU-YUMQZZPRSA-N 2 2 262.275 2.409 20 10 CECDLP CCO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C[NH+](C)C ZINC000922757513 643248003 /nfs/dbraw/zinc/24/80/03/643248003.db2.gz TUHYXDJCWMAXAL-CYBMUJFWSA-N 2 2 286.803 2.102 20 10 CECDLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1O ZINC000854222687 644016853 /nfs/dbraw/zinc/01/68/53/644016853.db2.gz KHCRNLWBJKECKU-SNVBAGLBSA-N 2 2 252.333 2.453 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000854232168 644018830 /nfs/dbraw/zinc/01/88/30/644018830.db2.gz NVBVIRLDNDTUBK-DTWKUNHWSA-N 2 2 287.201 2.413 20 10 CECDLP COc1cc(C)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000754739956 644423138 /nfs/dbraw/zinc/42/31/38/644423138.db2.gz HQHOFLKBXJLBJY-UHFFFAOYSA-N 2 2 289.379 2.428 20 10 CECDLP COc1cc(C)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000754739956 644423140 /nfs/dbraw/zinc/42/31/40/644423140.db2.gz HQHOFLKBXJLBJY-UHFFFAOYSA-N 2 2 289.379 2.428 20 10 CECDLP COc1cccc(O)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000769232297 646227812 /nfs/dbraw/zinc/22/78/12/646227812.db2.gz KQGYSQNDBWFFPS-UHFFFAOYSA-N 2 2 278.396 2.363 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000775501298 646960769 /nfs/dbraw/zinc/96/07/69/646960769.db2.gz GCMIVIQYMFUXGC-DGCLKSJQSA-N 2 2 286.803 2.009 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000779060675 647284455 /nfs/dbraw/zinc/28/44/55/647284455.db2.gz HXZMTXTWBQHKPI-NWDGAFQWSA-N 2 2 257.337 2.254 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000779064240 647284833 /nfs/dbraw/zinc/28/48/33/647284833.db2.gz HPJYTHKFDUHKRK-RYUDHWBXSA-N 2 2 287.363 2.263 20 10 CECDLP C[N@H+](CCC[NH+]1CCCC1)Cc1c(O)cccc1F ZINC001137837458 809780455 /nfs/dbraw/zinc/78/04/55/809780455.db2.gz HVDJBXOJGCGZDD-UHFFFAOYSA-N 2 2 266.360 2.449 20 10 CECDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1c(O)cccc1F ZINC001137837458 809780459 /nfs/dbraw/zinc/78/04/59/809780459.db2.gz HVDJBXOJGCGZDD-UHFFFAOYSA-N 2 2 266.360 2.449 20 10 CECDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708504555 809944100 /nfs/dbraw/zinc/94/41/00/809944100.db2.gz RXVJPUBEMOCDFU-JTQLQIEISA-N 2 2 270.323 2.102 20 10 CECDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708504555 809944107 /nfs/dbraw/zinc/94/41/07/809944107.db2.gz RXVJPUBEMOCDFU-JTQLQIEISA-N 2 2 270.323 2.102 20 10 CECDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341642 813792673 /nfs/dbraw/zinc/79/26/73/813792673.db2.gz BLZIIHOGVRATCZ-CABZTGNLSA-N 2 2 299.212 2.385 20 10 CECDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(F)c3O)C[C@H]2C1 ZINC001138131039 815736375 /nfs/dbraw/zinc/73/63/75/815736375.db2.gz NRQPEMYSEBPJMV-ZIAGYGMSSA-N 2 2 278.371 2.305 20 10 CECDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)ccc1O ZINC001140060446 816181516 /nfs/dbraw/zinc/18/15/16/816181516.db2.gz WGPUWXYAKJEKTO-UHFFFAOYSA-N 2 2 263.316 2.250 20 10 CECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(F)ccc1O ZINC001140060446 816181522 /nfs/dbraw/zinc/18/15/22/816181522.db2.gz WGPUWXYAKJEKTO-UHFFFAOYSA-N 2 2 263.316 2.250 20 10 CECDLP Cc1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001140957978 816425321 /nfs/dbraw/zinc/42/53/21/816425321.db2.gz OSOZNKYHRZABDG-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001140957978 816425323 /nfs/dbraw/zinc/42/53/23/816425323.db2.gz OSOZNKYHRZABDG-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001140957978 816425325 /nfs/dbraw/zinc/42/53/25/816425325.db2.gz OSOZNKYHRZABDG-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c(O)c1 ZINC001140957978 816425328 /nfs/dbraw/zinc/42/53/28/816425328.db2.gz OSOZNKYHRZABDG-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2C1 ZINC000194540716 370049271 /nfs/dbraw/zinc/04/92/71/370049271.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 2 284.762 2.178 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2C1 ZINC000194540716 370049277 /nfs/dbraw/zinc/04/92/77/370049277.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 2 284.762 2.178 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2C1 ZINC000194540716 370049282 /nfs/dbraw/zinc/04/92/82/370049282.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 2 284.762 2.178 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2C1 ZINC000194540716 370049287 /nfs/dbraw/zinc/04/92/87/370049287.db2.gz DKEGAUFDSMYBCX-AOOOYVTPSA-N 2 2 284.762 2.178 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1O ZINC000368103786 373219547 /nfs/dbraw/zinc/21/95/47/373219547.db2.gz YQDCMIRDHZZZIN-KOLCDFICSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1O ZINC000368103786 373219552 /nfs/dbraw/zinc/21/95/52/373219552.db2.gz YQDCMIRDHZZZIN-KOLCDFICSA-N 2 2 275.327 2.463 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368102824 373219671 /nfs/dbraw/zinc/21/96/71/373219671.db2.gz QAHYOHIDGKPKSX-GHMZBOCLSA-N 2 2 287.363 2.332 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368102824 373219675 /nfs/dbraw/zinc/21/96/75/373219675.db2.gz QAHYOHIDGKPKSX-GHMZBOCLSA-N 2 2 287.363 2.332 20 10 CECDLP Oc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000361064558 394814253 /nfs/dbraw/zinc/81/42/53/394814253.db2.gz AIMAGZWEYFZKJO-UHFFFAOYSA-N 2 2 257.337 2.495 20 10 CECDLP CN(C)c1ccc(C2=CC[N@H+](Cc3c[nH+]cn3C)C2)cc1 ZINC000361103368 394816294 /nfs/dbraw/zinc/81/62/94/394816294.db2.gz HKEWJOFZPKYWAH-UHFFFAOYSA-N 2 2 282.391 2.385 20 10 CECDLP CN(C)c1ccc(C2=CC[N@@H+](Cc3c[nH+]cn3C)C2)cc1 ZINC000361103368 394816298 /nfs/dbraw/zinc/81/62/98/394816298.db2.gz HKEWJOFZPKYWAH-UHFFFAOYSA-N 2 2 282.391 2.385 20 10 CECDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297820726 395348771 /nfs/dbraw/zinc/34/87/71/395348771.db2.gz RJVSAKZQPUDJRQ-KCPJHIHWSA-N 2 2 272.392 2.452 20 10 CECDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297820726 395348772 /nfs/dbraw/zinc/34/87/72/395348772.db2.gz RJVSAKZQPUDJRQ-KCPJHIHWSA-N 2 2 272.392 2.452 20 10 CECDLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530177591 333527034 /nfs/dbraw/zinc/52/70/34/333527034.db2.gz KQYTYQRTVTYHNJ-HNNXBMFYSA-N 2 2 260.381 2.378 20 10 CECDLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Br)cc1O ZINC000902408154 634623913 /nfs/dbraw/zinc/62/39/13/634623913.db2.gz XHBJWGDDKMZZRA-QMMMGPOBSA-N 2 2 285.185 2.297 20 10 CECDLP Oc1cccc(F)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000896636594 630620668 /nfs/dbraw/zinc/62/06/68/630620668.db2.gz GLMPGVAXHIGCTG-UHFFFAOYSA-N 2 2 278.371 2.495 20 10 CECDLP C[N@@H+]1CC[C@H]([NH2+]Cc2c(O)cccc2F)CC1(C)C ZINC000896638459 630621490 /nfs/dbraw/zinc/62/14/90/630621490.db2.gz BVTWBVCJTNNGGZ-NSHDSACASA-N 2 2 266.360 2.494 20 10 CECDLP C[N@H+]1CC[C@H]([NH2+]Cc2c(O)cccc2F)CC1(C)C ZINC000896638459 630621492 /nfs/dbraw/zinc/62/14/92/630621492.db2.gz BVTWBVCJTNNGGZ-NSHDSACASA-N 2 2 266.360 2.494 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC ZINC000841032520 631819293 /nfs/dbraw/zinc/81/92/93/631819293.db2.gz FZSDGXQXNYBBBM-MRXNPFEDSA-N 2 2 292.423 2.463 20 10 CECDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926959247 632386484 /nfs/dbraw/zinc/38/64/84/632386484.db2.gz AOUJNJBYVSBQHB-WMLDXEAASA-N 2 2 293.455 2.370 20 10 CECDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841065021 632396686 /nfs/dbraw/zinc/39/66/86/632396686.db2.gz LGTATRYFPZOMNF-BXUZGUMPSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817901735 633762567 /nfs/dbraw/zinc/76/25/67/633762567.db2.gz XTFCRDHAQHBQBF-SMDDNHRTSA-N 2 2 265.376 2.122 20 10 CECDLP Cc1cc(Br)cc([C@H](C)[NH2+]CC[NH3+])c1O ZINC000817934487 633786812 /nfs/dbraw/zinc/78/68/12/633786812.db2.gz JMZAEGHCSHSXCR-QMMMGPOBSA-N 2 2 273.174 2.072 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942161 633789581 /nfs/dbraw/zinc/78/95/81/633789581.db2.gz XMPJMWMKSLIYNG-CKYFFXLPSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945222 633792499 /nfs/dbraw/zinc/79/24/99/633792499.db2.gz XMXIMGCVTGDOJT-BXUZGUMPSA-N 2 2 260.381 2.284 20 10 CECDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000817952160 633796266 /nfs/dbraw/zinc/79/62/66/633796266.db2.gz OFJURJXXBYFYOQ-MRVPVSSYSA-N 2 2 273.174 2.025 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000817959801 633801233 /nfs/dbraw/zinc/80/12/33/633801233.db2.gz VGBJZVWMZMMJDC-WCQYABFASA-N 2 2 294.395 2.203 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817966951 633810065 /nfs/dbraw/zinc/81/00/65/633810065.db2.gz ZZTNMZHXVGYIAY-VXGBXAGGSA-N 2 2 297.830 2.174 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(Br)ccc1O ZINC000817969993 633811592 /nfs/dbraw/zinc/81/15/92/633811592.db2.gz JJEIALHNBHFEFZ-JGVFFNPUSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000817971297 633814093 /nfs/dbraw/zinc/81/40/93/633814093.db2.gz CATFFRHOYNMZMH-RNFRBKRXSA-N 2 2 291.164 2.292 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904432887 635626422 /nfs/dbraw/zinc/62/64/22/635626422.db2.gz IOQYFSKQWKWKRC-QGZVFWFLSA-N 2 2 273.424 2.471 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000904432887 635626424 /nfs/dbraw/zinc/62/64/24/635626424.db2.gz IOQYFSKQWKWKRC-QGZVFWFLSA-N 2 2 273.424 2.471 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000835033955 638032216 /nfs/dbraw/zinc/03/22/16/638032216.db2.gz MDDRVPAVMLCBIV-ONEGZZNKSA-N 2 2 270.380 2.252 20 10 CECDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000044534557 639323109 /nfs/dbraw/zinc/32/31/09/639323109.db2.gz PMEPOXUALPKRMS-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000044534557 639323119 /nfs/dbraw/zinc/32/31/19/639323119.db2.gz PMEPOXUALPKRMS-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC[NH2+]1 ZINC000841062837 639637969 /nfs/dbraw/zinc/63/79/69/639637969.db2.gz YHLORBPXJAURFS-KWQFWETISA-N 2 2 272.751 2.415 20 10 CECDLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000841072547 639643815 /nfs/dbraw/zinc/64/38/15/639643815.db2.gz PLHBNAUNKWKPHF-SNVBAGLBSA-N 2 2 287.201 2.290 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085634 639651901 /nfs/dbraw/zinc/65/19/01/639651901.db2.gz JBLHXURGLYYNJV-SQRWCISFSA-N 2 2 273.424 2.496 20 10 CECDLP C[NH2+]CCC[N@H+](C)Cc1cccc(Br)c1O ZINC000841103307 639674903 /nfs/dbraw/zinc/67/49/03/639674903.db2.gz GMEUAHXEWKDXNI-UHFFFAOYSA-N 2 2 287.201 2.196 20 10 CECDLP C[NH2+]CCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000841103307 639674953 /nfs/dbraw/zinc/67/49/53/639674953.db2.gz GMEUAHXEWKDXNI-UHFFFAOYSA-N 2 2 287.201 2.196 20 10 CECDLP Oc1c(F)cccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000843054239 640257496 /nfs/dbraw/zinc/25/74/96/640257496.db2.gz HKHRFNMHWRJWAO-UHFFFAOYSA-N 2 2 278.371 2.495 20 10 CECDLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000843123224 640291022 /nfs/dbraw/zinc/29/10/22/640291022.db2.gz JBPHLBBTWHZGNV-GFCCVEGCSA-N 2 2 252.333 2.235 20 10 CECDLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000843123224 640291028 /nfs/dbraw/zinc/29/10/28/640291028.db2.gz JBPHLBBTWHZGNV-GFCCVEGCSA-N 2 2 252.333 2.235 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362454 640404641 /nfs/dbraw/zinc/40/46/41/640404641.db2.gz HJAPJFSFDMGZKO-ONGXEEELSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362454 640404647 /nfs/dbraw/zinc/40/46/47/640404647.db2.gz HJAPJFSFDMGZKO-ONGXEEELSA-N 2 2 296.798 2.417 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000853249410 643722102 /nfs/dbraw/zinc/72/21/02/643722102.db2.gz FELNMDMNPCFNIF-CQSZACIVSA-N 2 2 261.413 2.374 20 10 CECDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226779 644859981 /nfs/dbraw/zinc/85/99/81/644859981.db2.gz ZDCRWAFHPONXSD-IINYFYTJSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226779 644859984 /nfs/dbraw/zinc/85/99/84/644859984.db2.gz ZDCRWAFHPONXSD-IINYFYTJSA-N 2 2 266.772 2.359 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484762 646740273 /nfs/dbraw/zinc/74/02/73/646740273.db2.gz LVAVVWFNKCRKCP-DGCLKSJQSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546099 646753126 /nfs/dbraw/zinc/75/31/26/646753126.db2.gz DJSDIGRXLDDGIX-DMWPJOQESA-N 2 2 264.344 2.420 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000778190570 647207853 /nfs/dbraw/zinc/20/78/53/647207853.db2.gz ZXQOJYIXJYRJNF-ZDUSSCGKSA-N 2 2 287.363 2.092 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230792 649602426 /nfs/dbraw/zinc/60/24/26/649602426.db2.gz YDPRVNWGZIYVND-KGLIPLIRSA-N 2 2 266.772 2.420 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)cc(F)c1O ZINC000873256847 649612901 /nfs/dbraw/zinc/61/29/01/649612901.db2.gz PCNGKUVGLHUOET-NRPADANISA-N 2 2 256.296 2.058 20 10 CECDLP Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC000882880528 652246311 /nfs/dbraw/zinc/24/63/11/652246311.db2.gz XDUJXSHNAGBFBW-UHFFFAOYSA-N 2 2 297.406 2.149 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1F ZINC001206156328 815282992 /nfs/dbraw/zinc/28/29/92/815282992.db2.gz QCIQWEWZZVSETI-NEPJUHHUSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1F ZINC001206156328 815282995 /nfs/dbraw/zinc/28/29/95/815282995.db2.gz QCIQWEWZZVSETI-NEPJUHHUSA-N 2 2 272.751 2.307 20 10 CECDLP Cc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(O)c1 ZINC001140957981 816426009 /nfs/dbraw/zinc/42/60/09/816426009.db2.gz OSOZNKYHRZABDG-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c(O)c1 ZINC001140957981 816426016 /nfs/dbraw/zinc/42/60/16/816426016.db2.gz OSOZNKYHRZABDG-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(O)c1 ZINC001140957981 816426022 /nfs/dbraw/zinc/42/60/22/816426022.db2.gz OSOZNKYHRZABDG-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c(O)c1 ZINC001140957981 816426027 /nfs/dbraw/zinc/42/60/27/816426027.db2.gz OSOZNKYHRZABDG-ZFWWWQNUSA-N 2 2 260.381 2.227 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000272661933 373604257 /nfs/dbraw/zinc/60/42/57/373604257.db2.gz ROGNXQDOMWYEJP-YOEHRIQHSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000272661933 373604265 /nfs/dbraw/zinc/60/42/65/373604265.db2.gz ROGNXQDOMWYEJP-YOEHRIQHSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1F ZINC000272661933 373604274 /nfs/dbraw/zinc/60/42/74/373604274.db2.gz ROGNXQDOMWYEJP-YOEHRIQHSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000272661933 373604278 /nfs/dbraw/zinc/60/42/78/373604278.db2.gz ROGNXQDOMWYEJP-YOEHRIQHSA-N 2 2 291.414 2.418 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179184 380195888 /nfs/dbraw/zinc/19/58/88/380195888.db2.gz QIVBPNSKKSYMAU-GFCCVEGCSA-N 2 2 266.772 2.420 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1F ZINC000292687975 522183811 /nfs/dbraw/zinc/18/38/11/522183811.db2.gz BCWAGAMQYCTSJJ-KRWDZBQOSA-N 2 2 291.414 2.419 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1F ZINC000292687975 522183817 /nfs/dbraw/zinc/18/38/17/522183817.db2.gz BCWAGAMQYCTSJJ-KRWDZBQOSA-N 2 2 291.414 2.419 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292687975 522183826 /nfs/dbraw/zinc/18/38/26/522183826.db2.gz BCWAGAMQYCTSJJ-KRWDZBQOSA-N 2 2 291.414 2.419 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000292687975 522183835 /nfs/dbraw/zinc/18/38/35/522183835.db2.gz BCWAGAMQYCTSJJ-KRWDZBQOSA-N 2 2 291.414 2.419 20 10 CECDLP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290328777 525914149 /nfs/dbraw/zinc/91/41/49/525914149.db2.gz DNRCVZHJXAWYKS-UHFFFAOYSA-N 2 2 275.352 2.119 20 10 CECDLP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290328777 525914158 /nfs/dbraw/zinc/91/41/58/525914158.db2.gz DNRCVZHJXAWYKS-UHFFFAOYSA-N 2 2 275.352 2.119 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000756118337 574797168 /nfs/dbraw/zinc/79/71/68/574797168.db2.gz LZZSEFVHJQLXAQ-XJKSGUPXSA-N 2 2 261.413 2.101 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000756118337 574797169 /nfs/dbraw/zinc/79/71/69/574797169.db2.gz LZZSEFVHJQLXAQ-XJKSGUPXSA-N 2 2 261.413 2.101 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636490 630620439 /nfs/dbraw/zinc/62/04/39/630620439.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 2 2 264.344 2.248 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000896636490 630620440 /nfs/dbraw/zinc/62/04/40/630620440.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 2 2 264.344 2.248 20 10 CECDLP COCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943502 633790413 /nfs/dbraw/zinc/79/04/13/633790413.db2.gz URNJIFYSOSYXLT-CJNGLKHVSA-N 2 2 279.428 2.157 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000817942899 633790691 /nfs/dbraw/zinc/79/06/91/633790691.db2.gz RHUPOXDBRBVTNB-QRTARXTBSA-N 2 2 291.439 2.157 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952538 633797040 /nfs/dbraw/zinc/79/70/40/633797040.db2.gz RMZBOPIPBXVTON-KOLCDFICSA-N 2 2 254.761 2.448 20 10 CECDLP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(Cl)c1O ZINC000817964725 633806091 /nfs/dbraw/zinc/80/60/91/633806091.db2.gz GGZQPYKJZZCTFD-LBPRGKRZSA-N 2 2 254.761 2.306 20 10 CECDLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1O ZINC000817964533 633807184 /nfs/dbraw/zinc/80/71/84/633807184.db2.gz BZXGQFBYDDZJLN-KRTXAFLBSA-N 2 2 256.296 2.058 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817968996 633812128 /nfs/dbraw/zinc/81/21/28/633812128.db2.gz OVLWZZJZJJKZPK-COPLHBTASA-N 2 2 264.369 2.049 20 10 CECDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1 ZINC000817976800 633820102 /nfs/dbraw/zinc/82/01/02/633820102.db2.gz ULDCZUWBKWSINN-AVGNSLFASA-N 2 2 266.360 2.360 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355166 635586956 /nfs/dbraw/zinc/58/69/56/635586956.db2.gz LBTPXYAGDHNQQX-WFASDCNBSA-N 2 2 260.381 2.242 20 10 CECDLP COc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904431480 635625379 /nfs/dbraw/zinc/62/53/79/635625379.db2.gz UNTIUKBUGSISJS-INIZCTEOSA-N 2 2 276.380 2.119 20 10 CECDLP COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904431480 635625383 /nfs/dbraw/zinc/62/53/83/635625383.db2.gz UNTIUKBUGSISJS-INIZCTEOSA-N 2 2 276.380 2.119 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000841025634 639620334 /nfs/dbraw/zinc/62/03/34/639620334.db2.gz DCGCTEUEOGFIKA-CZUORRHYSA-N 2 2 261.413 2.454 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000841025634 639620336 /nfs/dbraw/zinc/62/03/36/639620336.db2.gz DCGCTEUEOGFIKA-CZUORRHYSA-N 2 2 261.413 2.454 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058567 639635323 /nfs/dbraw/zinc/63/53/23/639635323.db2.gz SVGPKNNBZLMWIG-LLVKDONJSA-N 2 2 272.751 2.416 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000841058998 639636201 /nfs/dbraw/zinc/63/62/01/639636201.db2.gz IXQVBXQAHALBCQ-BBRMVZONSA-N 2 2 292.423 2.319 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC000841061179 639636906 /nfs/dbraw/zinc/63/69/06/639636906.db2.gz FWGQDNUZVGBHAB-ONGXEEELSA-N 2 2 254.761 2.276 20 10 CECDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841067172 639642752 /nfs/dbraw/zinc/64/27/52/639642752.db2.gz WKBJGCCHJPPBIS-VIFPVBQESA-N 2 2 275.318 2.208 20 10 CECDLP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841084966 639649179 /nfs/dbraw/zinc/64/91/79/639649179.db2.gz RBBSGUJFYFPKSU-MWLCHTKSSA-N 2 2 254.761 2.263 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1C ZINC000841105675 639671002 /nfs/dbraw/zinc/67/10/02/639671002.db2.gz XUFXHXAXFHYEDW-MRXNPFEDSA-N 2 2 260.381 2.337 20 10 CECDLP Cc1cc(O)c(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1C ZINC000841105675 639671008 /nfs/dbraw/zinc/67/10/08/639671008.db2.gz XUFXHXAXFHYEDW-MRXNPFEDSA-N 2 2 260.381 2.337 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH+]2CCC([NH3+])CC2)c1 ZINC000843047253 640252794 /nfs/dbraw/zinc/25/27/94/640252794.db2.gz IGBMWFUCWIRYBF-UHFFFAOYSA-N 2 2 299.212 2.386 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118687 640288433 /nfs/dbraw/zinc/28/84/33/640288433.db2.gz MMIDOQYJGSMUPD-HNNXBMFYSA-N 2 2 264.344 2.107 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118687 640288437 /nfs/dbraw/zinc/28/84/37/640288437.db2.gz MMIDOQYJGSMUPD-HNNXBMFYSA-N 2 2 264.344 2.107 20 10 CECDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)[NH3+] ZINC000843359053 640403413 /nfs/dbraw/zinc/40/34/13/640403413.db2.gz FXJOHEVGFXKAQP-VIFPVBQESA-N 2 2 287.201 2.324 20 10 CECDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)[NH3+] ZINC000843359053 640403415 /nfs/dbraw/zinc/40/34/15/640403415.db2.gz FXJOHEVGFXKAQP-VIFPVBQESA-N 2 2 287.201 2.324 20 10 CECDLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000250516604 641546380 /nfs/dbraw/zinc/54/63/80/641546380.db2.gz OROJWMQXNUNPKK-TZMCWYRMSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000250516604 641546381 /nfs/dbraw/zinc/54/63/81/641546381.db2.gz OROJWMQXNUNPKK-TZMCWYRMSA-N 2 2 278.396 2.350 20 10 CECDLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2ccccc2c1O ZINC000756557845 644665522 /nfs/dbraw/zinc/66/55/22/644665522.db2.gz WQQGIXCHHBKDPL-OCCSQVGLSA-N 2 2 288.391 2.119 20 10 CECDLP CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484953 646740764 /nfs/dbraw/zinc/74/07/64/646740764.db2.gz QNNIHDOOAINSTN-YPMHNXCESA-N 2 2 264.369 2.021 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000863543246 646752088 /nfs/dbraw/zinc/75/20/88/646752088.db2.gz MHBIHSUMMBYZEL-JIMOISOXSA-N 2 2 252.333 2.322 20 10 CECDLP COC1(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCC1 ZINC000863642371 646775368 /nfs/dbraw/zinc/77/53/68/646775368.db2.gz ZUQVVGAIPXVHAT-INIZCTEOSA-N 2 2 291.439 2.301 20 10 CECDLP Cc1cc(O)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000778187967 647206998 /nfs/dbraw/zinc/20/69/98/647206998.db2.gz OXYVPCSNFBAWFB-AWEZNQCLSA-N 2 2 271.364 2.310 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000779064241 647284409 /nfs/dbraw/zinc/28/44/09/647284409.db2.gz HPJYTHKFDUHKRK-VXGBXAGGSA-N 2 2 287.363 2.263 20 10 CECDLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1O ZINC001206795238 802405882 /nfs/dbraw/zinc/40/58/82/802405882.db2.gz VMXFEKBKBINEFV-UHFFFAOYSA-N 2 2 259.353 2.456 20 10 CECDLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1O ZINC001206795238 802405887 /nfs/dbraw/zinc/40/58/87/802405887.db2.gz VMXFEKBKBINEFV-UHFFFAOYSA-N 2 2 259.353 2.456 20 10 CECDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(Br)ccc1O ZINC001236865307 808180357 /nfs/dbraw/zinc/18/03/57/808180357.db2.gz IIIORDMTXFZNMN-NSHDSACASA-N 2 2 287.201 2.324 20 10 CECDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(Br)ccc1O ZINC001236865307 808180360 /nfs/dbraw/zinc/18/03/60/808180360.db2.gz IIIORDMTXFZNMN-NSHDSACASA-N 2 2 287.201 2.324 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1F ZINC001206185997 815567841 /nfs/dbraw/zinc/56/78/41/815567841.db2.gz PQULNPHMOZLYPQ-RYUDHWBXSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1F ZINC001206185997 815567843 /nfs/dbraw/zinc/56/78/43/815567843.db2.gz PQULNPHMOZLYPQ-RYUDHWBXSA-N 2 2 272.751 2.307 20 10 CECDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001137840131 815694150 /nfs/dbraw/zinc/69/41/50/815694150.db2.gz RUXIHIPDOYJVIA-OAHLLOKOSA-N 2 2 264.344 2.059 20 10 CECDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001137840131 815694157 /nfs/dbraw/zinc/69/41/57/815694157.db2.gz RUXIHIPDOYJVIA-OAHLLOKOSA-N 2 2 264.344 2.059 20 10 CECDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3F)C2)C1 ZINC001137840131 815694165 /nfs/dbraw/zinc/69/41/65/815694165.db2.gz RUXIHIPDOYJVIA-OAHLLOKOSA-N 2 2 264.344 2.059 20 10 CECDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)cccc3F)C2)C1 ZINC001137840131 815694175 /nfs/dbraw/zinc/69/41/75/815694175.db2.gz RUXIHIPDOYJVIA-OAHLLOKOSA-N 2 2 264.344 2.059 20 10 CECDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1O ZINC000273383858 373753968 /nfs/dbraw/zinc/75/39/68/373753968.db2.gz IVOFPZIJKWOLMX-WCQYABFASA-N 2 2 298.814 2.153 20 10 CECDLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1O ZINC000285694354 375842281 /nfs/dbraw/zinc/84/22/81/375842281.db2.gz OOTSBTGOSPFMLS-ZDUSSCGKSA-N 2 2 263.316 2.469 20 10 CECDLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294330762 377981454 /nfs/dbraw/zinc/98/14/54/377981454.db2.gz RQXWYKWFIXMSCB-UHFFFAOYSA-N 2 2 260.740 2.226 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377887666 329033504 /nfs/dbraw/zinc/03/35/04/329033504.db2.gz GODMANCTRTYKAO-ZDUSSCGKSA-N 2 2 271.364 2.424 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377887666 329033505 /nfs/dbraw/zinc/03/35/05/329033505.db2.gz GODMANCTRTYKAO-ZDUSSCGKSA-N 2 2 271.364 2.424 20 10 CECDLP Oc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527804825 330284397 /nfs/dbraw/zinc/28/43/97/330284397.db2.gz BTZOFNWYZWYTOH-HNNXBMFYSA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527804825 330284398 /nfs/dbraw/zinc/28/43/98/330284398.db2.gz BTZOFNWYZWYTOH-HNNXBMFYSA-N 2 2 260.381 2.499 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)c2c1c(F)ccc2O ZINC000902406124 634621249 /nfs/dbraw/zinc/62/12/49/634621249.db2.gz LTSKDBWQBAQYGC-WCBMZHEXSA-N 2 2 250.317 2.161 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000841033264 631821789 /nfs/dbraw/zinc/82/17/89/631821789.db2.gz MGTODXOFZSMLME-JFDDCEBESA-N 2 2 273.424 2.498 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057592 632360312 /nfs/dbraw/zinc/36/03/12/632360312.db2.gz AKYCVDOINXCSKC-TVQRCGJNSA-N 2 2 268.788 2.442 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939166 633789232 /nfs/dbraw/zinc/78/92/32/633789232.db2.gz AAPDPVRLNKBLQB-CXAGYDPISA-N 2 2 284.407 2.498 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942165 633789668 /nfs/dbraw/zinc/78/96/68/633789668.db2.gz XMPJMWMKSLIYNG-JFGNBEQYSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1O ZINC000817976657 633820375 /nfs/dbraw/zinc/82/03/75/633820375.db2.gz QNVHPTBIBJDPOS-LSJOCFKGSA-N 2 2 272.751 2.396 20 10 CECDLP [NH3+]CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000843047053 640251575 /nfs/dbraw/zinc/25/15/75/640251575.db2.gz FDEVLWUKNPIDNC-UHFFFAOYSA-N 2 2 254.761 2.216 20 10 CECDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(F)c1O ZINC000843056451 640258258 /nfs/dbraw/zinc/25/82/58/640258258.db2.gz KKLIBZJTQUHSKD-CYBMUJFWSA-N 2 2 254.349 2.337 20 10 CECDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(F)c1O ZINC000843056451 640258265 /nfs/dbraw/zinc/25/82/65/640258265.db2.gz KKLIBZJTQUHSKD-CYBMUJFWSA-N 2 2 254.349 2.337 20 10 CECDLP C[N@H+](Cc1cccc(Cl)c1O)CC(C)(C)C[NH3+] ZINC000843056686 640259063 /nfs/dbraw/zinc/25/90/63/640259063.db2.gz WKQIBGGERCRPMA-UHFFFAOYSA-N 2 2 256.777 2.462 20 10 CECDLP C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(C)C[NH3+] ZINC000843056686 640259067 /nfs/dbraw/zinc/25/90/67/640259067.db2.gz WKQIBGGERCRPMA-UHFFFAOYSA-N 2 2 256.777 2.462 20 10 CECDLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000843123227 640291248 /nfs/dbraw/zinc/29/12/48/640291248.db2.gz JBPHLBBTWHZGNV-LBPRGKRZSA-N 2 2 252.333 2.235 20 10 CECDLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000843123227 640291249 /nfs/dbraw/zinc/29/12/49/640291249.db2.gz JBPHLBBTWHZGNV-LBPRGKRZSA-N 2 2 252.333 2.235 20 10 CECDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1O ZINC000848919390 642192139 /nfs/dbraw/zinc/19/21/39/642192139.db2.gz KHFYGQDKJAMMIR-UKRRQHHQSA-N 2 2 290.407 2.296 20 10 CECDLP Cc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877706478 650862964 /nfs/dbraw/zinc/86/29/64/650862964.db2.gz MHHFMJUBSWVNMX-HNNXBMFYSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877706478 650862967 /nfs/dbraw/zinc/86/29/67/650862967.db2.gz MHHFMJUBSWVNMX-HNNXBMFYSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000854223281 644016563 /nfs/dbraw/zinc/01/65/63/644016563.db2.gz BSKMDTSUETVQDL-QXEWZRGKSA-N 2 2 250.317 2.031 20 10 CECDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000708481122 809928356 /nfs/dbraw/zinc/92/83/56/809928356.db2.gz OKUMAVNSHDOCOH-JTQLQIEISA-N 2 2 282.334 2.244 20 10 CECDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000708481122 809928359 /nfs/dbraw/zinc/92/83/59/809928359.db2.gz OKUMAVNSHDOCOH-JTQLQIEISA-N 2 2 282.334 2.244 20 10 CECDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517891 809944654 /nfs/dbraw/zinc/94/46/54/809944654.db2.gz XGXYNOOLQAECGQ-UHFFFAOYSA-N 2 2 272.339 2.490 20 10 CECDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517891 809944660 /nfs/dbraw/zinc/94/46/60/809944660.db2.gz XGXYNOOLQAECGQ-UHFFFAOYSA-N 2 2 272.339 2.490 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1F ZINC001206174787 815492368 /nfs/dbraw/zinc/49/23/68/815492368.db2.gz PNCNDABTOPXKRC-NEPJUHHUSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CC[C@H]1F ZINC001206174787 815492370 /nfs/dbraw/zinc/49/23/70/815492370.db2.gz PNCNDABTOPXKRC-NEPJUHHUSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001206197113 815638041 /nfs/dbraw/zinc/63/80/41/815638041.db2.gz GETTVOPRFWTRSD-CMPLNLGQSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001206197113 815638044 /nfs/dbraw/zinc/63/80/44/815638044.db2.gz GETTVOPRFWTRSD-CMPLNLGQSA-N 2 2 290.741 2.446 20 10 CECDLP COc1cc(C[N@@H+]2CC[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139255630 815997019 /nfs/dbraw/zinc/99/70/19/815997019.db2.gz QZLLIBLHNBUTLI-CYBMUJFWSA-N 2 2 282.359 2.006 20 10 CECDLP COc1cc(C[N@H+]2CC[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139255630 815997021 /nfs/dbraw/zinc/99/70/21/815997021.db2.gz QZLLIBLHNBUTLI-CYBMUJFWSA-N 2 2 282.359 2.006 20 10 CECDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)ccc1O ZINC001140623699 816307018 /nfs/dbraw/zinc/30/70/18/816307018.db2.gz QNGRBEMKMDQBML-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)ccc1O ZINC001140623699 816307028 /nfs/dbraw/zinc/30/70/28/816307028.db2.gz QNGRBEMKMDQBML-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP Oc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001141160906 816491591 /nfs/dbraw/zinc/49/15/91/816491591.db2.gz JHFJNPCCNISIME-OAHLLOKOSA-N 2 2 286.331 2.146 20 10 CECDLP Oc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001141160906 816491596 /nfs/dbraw/zinc/49/15/96/816491596.db2.gz JHFJNPCCNISIME-OAHLLOKOSA-N 2 2 286.331 2.146 20 10 CECDLP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC000530176607 380196153 /nfs/dbraw/zinc/19/61/53/380196153.db2.gz CPXTYNYPOFVBRU-HNNXBMFYSA-N 2 2 276.380 2.165 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000122329027 262347623 /nfs/dbraw/zinc/34/76/23/262347623.db2.gz DVCJRSVYSXVPTC-DZGCQCFKSA-N 2 2 273.424 2.467 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000122329027 262347624 /nfs/dbraw/zinc/34/76/24/262347624.db2.gz DVCJRSVYSXVPTC-DZGCQCFKSA-N 2 2 273.424 2.467 20 10 CECDLP Oc1ccc(F)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367434919 267089723 /nfs/dbraw/zinc/08/97/23/267089723.db2.gz ABNZQBZWZQHDST-UHFFFAOYSA-N 2 2 275.327 2.354 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216496 328716804 /nfs/dbraw/zinc/71/68/04/328716804.db2.gz PSJLDLAYCHXTTN-YGRLFVJLSA-N 2 2 264.344 2.467 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617558 524790945 /nfs/dbraw/zinc/79/09/45/524790945.db2.gz GNYIBNMUYZJYDL-MNOVXSKESA-N 2 2 263.316 2.467 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925786253 628825259 /nfs/dbraw/zinc/82/52/59/628825259.db2.gz SXPZAYZLISPYCH-OASPWFOLSA-N 2 2 252.333 2.180 20 10 CECDLP CCO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C[NH+](C)C ZINC000896880231 630699497 /nfs/dbraw/zinc/69/94/97/630699497.db2.gz RJUGRIXOKDDNJH-KRWDZBQOSA-N 2 2 293.455 2.117 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000841033265 631821232 /nfs/dbraw/zinc/82/12/32/631821232.db2.gz MGTODXOFZSMLME-KJPDOMRESA-N 2 2 273.424 2.498 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000841043030 632330614 /nfs/dbraw/zinc/33/06/14/632330614.db2.gz MWHMHIRLUXVNDS-QTLSWZBMSA-N 2 2 259.397 2.107 20 10 CECDLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817937570 633787732 /nfs/dbraw/zinc/78/77/32/633787732.db2.gz XUVORNXIDFCMJQ-MRVPVSSYSA-N 2 2 256.296 2.073 20 10 CECDLP COC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000817939517 633788938 /nfs/dbraw/zinc/78/89/38/633788938.db2.gz CAGXBVGVFQIDDP-CVEARBPZSA-N 2 2 279.428 2.013 20 10 CECDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942167 633790073 /nfs/dbraw/zinc/79/00/73/633790073.db2.gz XMPJMWMKSLIYNG-SCVCMEIPSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H]1C ZINC000817943281 633791355 /nfs/dbraw/zinc/79/13/55/633791355.db2.gz TYDOUMUGTXORHW-MPTQWLOMSA-N 2 2 261.413 2.387 20 10 CECDLP CC[C@H]([NH2+]CC[NH2+]C)c1cc(Br)ccc1O ZINC000817953217 633797809 /nfs/dbraw/zinc/79/78/09/633797809.db2.gz XJIRSVBWDKXDIZ-NSHDSACASA-N 2 2 287.201 2.415 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000817955935 633799721 /nfs/dbraw/zinc/79/97/21/633799721.db2.gz LTIUMFAXFLNWCA-SWLSCSKDSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000817955935 633799725 /nfs/dbraw/zinc/79/97/25/633799725.db2.gz LTIUMFAXFLNWCA-SWLSCSKDSA-N 2 2 259.397 2.026 20 10 CECDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817962069 633804325 /nfs/dbraw/zinc/80/43/25/633804325.db2.gz HPPMSTZLJVTGLU-YPMHNXCESA-N 2 2 294.395 2.347 20 10 CECDLP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1O ZINC000817964774 633806413 /nfs/dbraw/zinc/80/64/13/633806413.db2.gz IFEHIAOLLPUVJF-LBPRGKRZSA-N 2 2 252.333 2.453 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984443 633827097 /nfs/dbraw/zinc/82/70/97/633827097.db2.gz SUUMWGRKAXASEY-PWSUYJOCSA-N 2 2 252.333 2.324 20 10 CECDLP Cc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1O ZINC000904461133 635644414 /nfs/dbraw/zinc/64/44/14/635644414.db2.gz DQORHWVJEIADQW-HZPDHXFCSA-N 2 2 268.360 2.415 20 10 CECDLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835053633 638041092 /nfs/dbraw/zinc/04/10/92/638041092.db2.gz OQWWEAXUBGCWQJ-AFNCTOJWSA-N 2 2 261.413 2.306 20 10 CECDLP COc1ccc(O)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045105661 639390975 /nfs/dbraw/zinc/39/09/75/639390975.db2.gz WWBVQFHGCUGLLZ-UHFFFAOYSA-N 2 2 275.352 2.167 20 10 CECDLP CC[NH2+]CC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000841037199 639628468 /nfs/dbraw/zinc/62/84/68/639628468.db2.gz PYDIJZNORBTOCR-UHFFFAOYSA-N 2 2 287.201 2.162 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841059574 639636667 /nfs/dbraw/zinc/63/66/67/639636667.db2.gz UUTXMQQXLMKTCB-BXKDBHETSA-N 2 2 299.212 2.242 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1F ZINC000841085972 639652333 /nfs/dbraw/zinc/65/23/33/639652333.db2.gz JZMNKCHEGYGZRL-AWEZNQCLSA-N 2 2 265.376 2.122 20 10 CECDLP C[N@H+](Cc1cccc(F)c1O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046945 640251141 /nfs/dbraw/zinc/25/11/41/640251141.db2.gz IEFXIPICLRIKSC-FUNVUKJBSA-N 2 2 264.344 2.246 20 10 CECDLP C[N@@H+](Cc1cccc(F)c1O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046945 640251146 /nfs/dbraw/zinc/25/11/46/640251146.db2.gz IEFXIPICLRIKSC-FUNVUKJBSA-N 2 2 264.344 2.246 20 10 CECDLP Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C[NH3+])c1O ZINC000843051920 640254389 /nfs/dbraw/zinc/25/43/89/640254389.db2.gz MHBZZOMPZOLNQF-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)C[NH3+])c1O ZINC000843051920 640254391 /nfs/dbraw/zinc/25/43/91/640254391.db2.gz MHBZZOMPZOLNQF-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843057244 640260223 /nfs/dbraw/zinc/26/02/23/640260223.db2.gz HLDLCABARLOYOP-VHSXEESVSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843057244 640260225 /nfs/dbraw/zinc/26/02/25/640260225.db2.gz HLDLCABARLOYOP-VHSXEESVSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1O ZINC000843057871 640260334 /nfs/dbraw/zinc/26/03/34/640260334.db2.gz NFFQESDXLDGPEL-NXEZZACHSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1O ZINC000843057871 640260337 /nfs/dbraw/zinc/26/03/37/640260337.db2.gz NFFQESDXLDGPEL-NXEZZACHSA-N 2 2 299.212 2.324 20 10 CECDLP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccccc1O ZINC000843122043 640290920 /nfs/dbraw/zinc/29/09/20/640290920.db2.gz OAFGSELWMIPXPJ-UHFFFAOYSA-N 2 2 270.376 2.396 20 10 CECDLP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccccc1O ZINC000843122043 640290922 /nfs/dbraw/zinc/29/09/22/640290922.db2.gz OAFGSELWMIPXPJ-UHFFFAOYSA-N 2 2 270.376 2.396 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364443 640405721 /nfs/dbraw/zinc/40/57/21/640405721.db2.gz IGBOMRCSZSTVJL-MWLCHTKSSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364443 640405725 /nfs/dbraw/zinc/40/57/25/640405725.db2.gz IGBOMRCSZSTVJL-MWLCHTKSSA-N 2 2 296.798 2.417 20 10 CECDLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1O ZINC000846142203 641199424 /nfs/dbraw/zinc/19/94/24/641199424.db2.gz DFQJEPNWQLGGAU-NEPJUHHUSA-N 2 2 264.369 2.146 20 10 CECDLP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1O ZINC000846142203 641199428 /nfs/dbraw/zinc/19/94/28/641199428.db2.gz DFQJEPNWQLGGAU-NEPJUHHUSA-N 2 2 264.369 2.146 20 10 CECDLP CCO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922752215 643241500 /nfs/dbraw/zinc/24/15/00/643241500.db2.gz BVPCSFAFOBFPQD-INIZCTEOSA-N 2 2 292.423 2.068 20 10 CECDLP CCOc1ccc(O)c(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000877705970 650861971 /nfs/dbraw/zinc/86/19/71/650861971.db2.gz BZVUEUPNGPGJAD-MRXNPFEDSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000877705970 650861974 /nfs/dbraw/zinc/86/19/74/650861974.db2.gz BZVUEUPNGPGJAD-MRXNPFEDSA-N 2 2 290.407 2.317 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000854231984 644018462 /nfs/dbraw/zinc/01/84/62/644018462.db2.gz MOPWINSRVOOAAO-WCABBAIRSA-N 2 2 252.333 2.277 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778187131 647207080 /nfs/dbraw/zinc/20/70/80/647207080.db2.gz ILVIYKZSKXWTDL-LBPRGKRZSA-N 2 2 277.755 2.347 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230794 649602857 /nfs/dbraw/zinc/60/28/57/649602857.db2.gz YDPRVNWGZIYVND-ZIAGYGMSSA-N 2 2 266.772 2.420 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204762776 805743826 /nfs/dbraw/zinc/74/38/26/805743826.db2.gz DIQRAVIZHNANLZ-MRXNPFEDSA-N 2 2 261.413 2.456 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204762776 805743829 /nfs/dbraw/zinc/74/38/29/805743829.db2.gz DIQRAVIZHNANLZ-MRXNPFEDSA-N 2 2 261.413 2.456 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1F ZINC001206156330 815282789 /nfs/dbraw/zinc/28/27/89/815282789.db2.gz QCIQWEWZZVSETI-RYUDHWBXSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1F ZINC001206156330 815282793 /nfs/dbraw/zinc/28/27/93/815282793.db2.gz QCIQWEWZZVSETI-RYUDHWBXSA-N 2 2 272.751 2.307 20 10 CECDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708555268 809944979 /nfs/dbraw/zinc/94/49/79/809944979.db2.gz NKUWDLJEXUMMNO-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708555268 809944982 /nfs/dbraw/zinc/94/49/82/809944982.db2.gz NKUWDLJEXUMMNO-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP Oc1c(F)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001138122560 815731652 /nfs/dbraw/zinc/73/16/52/815731652.db2.gz MYIINTNARZXUFN-UHFFFAOYSA-N 2 2 287.338 2.249 20 10 CECDLP CC[N@H+](CCC[NH+](C)C)Cc1c(O)cc(OC)cc1OC ZINC001141030956 816451322 /nfs/dbraw/zinc/45/13/22/816451322.db2.gz SDJLTFSRCMPEFV-UHFFFAOYSA-N 2 2 296.411 2.183 20 10 CECDLP CC[N@@H+](CCC[NH+](C)C)Cc1c(O)cc(OC)cc1OC ZINC001141030956 816451330 /nfs/dbraw/zinc/45/13/30/816451330.db2.gz SDJLTFSRCMPEFV-UHFFFAOYSA-N 2 2 296.411 2.183 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293651304 377678717 /nfs/dbraw/zinc/67/87/17/377678717.db2.gz LHVCMJMHDKWDNB-NEPJUHHUSA-N 2 2 294.395 2.027 20 10 CECDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271165238 394750224 /nfs/dbraw/zinc/75/02/24/394750224.db2.gz HEZIVFRBENUBJJ-NSHDSACASA-N 2 2 268.788 2.429 20 10 CECDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271165238 394750225 /nfs/dbraw/zinc/75/02/25/394750225.db2.gz HEZIVFRBENUBJJ-NSHDSACASA-N 2 2 268.788 2.429 20 10 CECDLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3ccccc3O)CC2)S1 ZINC000179580005 395196964 /nfs/dbraw/zinc/19/69/64/395196964.db2.gz JHYRBPCEXMLIGX-LBPRGKRZSA-N 2 2 291.420 2.001 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000091662230 260266518 /nfs/dbraw/zinc/26/65/18/260266518.db2.gz MMTTXRKKFWXDJA-YUTCNCBUSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1O ZINC000091662230 260266520 /nfs/dbraw/zinc/26/65/20/260266520.db2.gz MMTTXRKKFWXDJA-YUTCNCBUSA-N 2 2 294.370 2.045 20 10 CECDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095318 276174737 /nfs/dbraw/zinc/17/47/37/276174737.db2.gz UBHLPRDTZSMVCI-ZIAGYGMSSA-N 2 2 260.381 2.453 20 10 CECDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095318 276174738 /nfs/dbraw/zinc/17/47/38/276174738.db2.gz UBHLPRDTZSMVCI-ZIAGYGMSSA-N 2 2 260.381 2.453 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272625510 281216950 /nfs/dbraw/zinc/21/69/50/281216950.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272625510 281216951 /nfs/dbraw/zinc/21/69/51/281216951.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272625510 281216952 /nfs/dbraw/zinc/21/69/52/281216952.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272625510 281216953 /nfs/dbraw/zinc/21/69/53/281216953.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)ccc1O ZINC000094617043 525346637 /nfs/dbraw/zinc/34/66/37/525346637.db2.gz CPTKVGSUKHZLMC-NSHDSACASA-N 2 2 263.316 2.469 20 10 CECDLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000041119597 525470294 /nfs/dbraw/zinc/47/02/94/525470294.db2.gz YEUVWZBEMJGYAL-CYBMUJFWSA-N 2 2 258.369 2.300 20 10 CECDLP C[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000744450059 575121724 /nfs/dbraw/zinc/12/17/24/575121724.db2.gz KBWFVRDMFUZMGZ-AWEZNQCLSA-N 2 2 261.413 2.184 20 10 CECDLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000744450059 575121725 /nfs/dbraw/zinc/12/17/25/575121725.db2.gz KBWFVRDMFUZMGZ-AWEZNQCLSA-N 2 2 261.413 2.184 20 10 CECDLP Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311210131 628450788 /nfs/dbraw/zinc/45/07/88/628450788.db2.gz KZKNJEBSCHJXAB-ZWNOBZJWSA-N 2 2 266.772 2.229 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902476891 634667101 /nfs/dbraw/zinc/66/71/01/634667101.db2.gz RKVCOPRSLPMYJL-HMHPOGMRSA-N 2 2 250.317 2.075 20 10 CECDLP CCO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C[NH+](C)C ZINC000896880232 630699529 /nfs/dbraw/zinc/69/95/29/630699529.db2.gz RJUGRIXOKDDNJH-QGZVFWFLSA-N 2 2 293.455 2.117 20 10 CECDLP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816544639 633410293 /nfs/dbraw/zinc/41/02/93/633410293.db2.gz NYSQOHVKQOXFKV-UHFFFAOYSA-N 2 2 283.734 2.479 20 10 CECDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939167 633788701 /nfs/dbraw/zinc/78/87/01/633788701.db2.gz AAPDPVRLNKBLQB-DYVFJYSZSA-N 2 2 284.407 2.498 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000817942900 633790923 /nfs/dbraw/zinc/79/09/23/633790923.db2.gz RHUPOXDBRBVTNB-YSVLISHTSA-N 2 2 291.439 2.157 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000817959802 633800777 /nfs/dbraw/zinc/80/07/77/633800777.db2.gz VGBJZVWMZMMJDC-YPMHNXCESA-N 2 2 294.395 2.203 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817968997 633811131 /nfs/dbraw/zinc/81/11/31/633811131.db2.gz OVLWZZJZJJKZPK-MJVIPROJSA-N 2 2 264.369 2.049 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1O ZINC000817974163 633817489 /nfs/dbraw/zinc/81/74/89/633817489.db2.gz ZUIYUXLDBOVXGS-JGVFFNPUSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000817973280 633817318 /nfs/dbraw/zinc/81/73/18/633817318.db2.gz SJJDJLWSRVZRRS-HTQZYQBOSA-N 2 2 262.275 2.409 20 10 CECDLP [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000904405485 635612411 /nfs/dbraw/zinc/61/24/11/635612411.db2.gz JXPROXVPLZSDSJ-SNVBAGLBSA-N 2 2 254.761 2.216 20 10 CECDLP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000904405485 635612413 /nfs/dbraw/zinc/61/24/13/635612413.db2.gz JXPROXVPLZSDSJ-SNVBAGLBSA-N 2 2 254.761 2.216 20 10 CECDLP Cc1ncccc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043345 639629496 /nfs/dbraw/zinc/62/94/96/639629496.db2.gz OASZZPLVPHMHOL-KRWDZBQOSA-N 2 2 284.407 2.246 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000841050198 639633491 /nfs/dbraw/zinc/63/34/91/639633491.db2.gz ZNXBHNZURQANMV-UHFFFAOYSA-N 2 2 299.212 2.434 20 10 CECDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000841064006 639640047 /nfs/dbraw/zinc/64/00/47/639640047.db2.gz NVYSOWMIYUMBHZ-JOYOIKCWSA-N 2 2 254.761 2.133 20 10 CECDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841085430 639650498 /nfs/dbraw/zinc/65/04/98/639650498.db2.gz CFKFAANQALHRGS-GFCCVEGCSA-N 2 2 299.212 2.385 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841091471 639654840 /nfs/dbraw/zinc/65/48/40/639654840.db2.gz YNGJLNIQOCKDBR-LBPRGKRZSA-N 2 2 254.761 2.277 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045195 640251323 /nfs/dbraw/zinc/25/13/23/640251323.db2.gz OYHYVSFPLYFNPX-OAHLLOKOSA-N 2 2 259.397 2.210 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045195 640251327 /nfs/dbraw/zinc/25/13/27/640251327.db2.gz OYHYVSFPLYFNPX-OAHLLOKOSA-N 2 2 259.397 2.210 20 10 CECDLP [NH3+]C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843047772 640252494 /nfs/dbraw/zinc/25/24/94/640252494.db2.gz TWNPNMSCGGIMSV-SECBINFHSA-N 2 2 272.751 2.355 20 10 CECDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843047772 640252497 /nfs/dbraw/zinc/25/24/97/640252497.db2.gz TWNPNMSCGGIMSV-SECBINFHSA-N 2 2 272.751 2.355 20 10 CECDLP Oc1c(Cl)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127843 640294392 /nfs/dbraw/zinc/29/43/92/640294392.db2.gz TZXDQNFVTBUFDJ-TXEJJXNPSA-N 2 2 280.799 2.477 20 10 CECDLP Oc1c(Cl)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127843 640294393 /nfs/dbraw/zinc/29/43/93/640294393.db2.gz TZXDQNFVTBUFDJ-TXEJJXNPSA-N 2 2 280.799 2.477 20 10 CECDLP CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1[NH3+] ZINC000843376555 640410356 /nfs/dbraw/zinc/41/03/56/640410356.db2.gz AXEXLBAIKFXIGQ-NHYWBVRUSA-N 2 2 294.370 2.293 20 10 CECDLP CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1[NH3+] ZINC000843376555 640410358 /nfs/dbraw/zinc/41/03/58/640410358.db2.gz AXEXLBAIKFXIGQ-NHYWBVRUSA-N 2 2 294.370 2.293 20 10 CECDLP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)cc(F)c1O ZINC000844921688 640866365 /nfs/dbraw/zinc/86/63/65/640866365.db2.gz RKNRTPPCFLZPMH-SECBINFHSA-N 2 2 270.323 2.450 20 10 CECDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921594972 642257002 /nfs/dbraw/zinc/25/70/02/642257002.db2.gz YACXRVDLMIYANG-OAHLLOKOSA-N 2 2 260.381 2.195 20 10 CECDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921594972 642257003 /nfs/dbraw/zinc/25/70/03/642257003.db2.gz YACXRVDLMIYANG-OAHLLOKOSA-N 2 2 260.381 2.195 20 10 CECDLP CCOc1ccc(O)c(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000877705969 650861939 /nfs/dbraw/zinc/86/19/39/650861939.db2.gz BZVUEUPNGPGJAD-INIZCTEOSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000877705969 650861944 /nfs/dbraw/zinc/86/19/44/650861944.db2.gz BZVUEUPNGPGJAD-INIZCTEOSA-N 2 2 290.407 2.317 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1F ZINC000877744698 650890656 /nfs/dbraw/zinc/89/06/56/650890656.db2.gz WZWJQPZWFSMHHB-ZBFHGGJFSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1F ZINC000877744698 650890661 /nfs/dbraw/zinc/89/06/61/650890661.db2.gz WZWJQPZWFSMHHB-ZBFHGGJFSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC000877744698 650890665 /nfs/dbraw/zinc/89/06/65/650890665.db2.gz WZWJQPZWFSMHHB-ZBFHGGJFSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1F ZINC000877744698 650890669 /nfs/dbraw/zinc/89/06/69/650890669.db2.gz WZWJQPZWFSMHHB-ZBFHGGJFSA-N 2 2 291.414 2.418 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OC ZINC000858307708 645112788 /nfs/dbraw/zinc/11/27/88/645112788.db2.gz PFQPYLPUCCHEJB-INIZCTEOSA-N 2 2 292.423 2.416 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OC ZINC000858307708 645112793 /nfs/dbraw/zinc/11/27/93/645112793.db2.gz PFQPYLPUCCHEJB-INIZCTEOSA-N 2 2 292.423 2.416 20 10 CECDLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485620 646740342 /nfs/dbraw/zinc/74/03/42/646740342.db2.gz NUGJQGWNDDXUKB-JOYOIKCWSA-N 2 2 299.212 2.385 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c(O)c1 ZINC000863484474 646740729 /nfs/dbraw/zinc/74/07/29/646740729.db2.gz ZXMQHFVBMOPLKN-UONOGXRCSA-N 2 2 264.369 2.021 20 10 CECDLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)c2ccc(N)cc2)cc1 ZINC000863558783 646756166 /nfs/dbraw/zinc/75/61/66/646756166.db2.gz XLPVPZXKHMZTDT-AWEZNQCLSA-N 2 2 285.391 2.456 20 10 CECDLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)c2ccc(N)cc2)cc1 ZINC000863558783 646756168 /nfs/dbraw/zinc/75/61/68/646756168.db2.gz XLPVPZXKHMZTDT-AWEZNQCLSA-N 2 2 285.391 2.456 20 10 CECDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000779060676 647284623 /nfs/dbraw/zinc/28/46/23/647284623.db2.gz HXZMTXTWBQHKPI-RYUDHWBXSA-N 2 2 257.337 2.254 20 10 CECDLP CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236030728 807944226 /nfs/dbraw/zinc/94/42/26/807944226.db2.gz RYSOBRBILCETIY-LRDDRELGSA-N 2 2 260.381 2.223 20 10 CECDLP CC(C)(C)c1cccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236030728 807944230 /nfs/dbraw/zinc/94/42/30/807944230.db2.gz RYSOBRBILCETIY-LRDDRELGSA-N 2 2 260.381 2.223 20 10 CECDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001120371552 815217451 /nfs/dbraw/zinc/21/74/51/815217451.db2.gz IWIGOVFHAQQAQF-MRXNPFEDSA-N 2 2 273.424 2.374 20 10 CECDLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922016952 809011848 /nfs/dbraw/zinc/01/18/48/809011848.db2.gz KNUQICHLBJUCPC-OAHLLOKOSA-N 2 2 283.375 2.313 20 10 CECDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708559293 809945414 /nfs/dbraw/zinc/94/54/14/809945414.db2.gz ODOUXTNIOFZLGV-LLVKDONJSA-N 2 2 284.350 2.490 20 10 CECDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708559293 809945417 /nfs/dbraw/zinc/94/54/17/809945417.db2.gz ODOUXTNIOFZLGV-LLVKDONJSA-N 2 2 284.350 2.490 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001206197114 815638395 /nfs/dbraw/zinc/63/83/95/815638395.db2.gz GETTVOPRFWTRSD-JQWIXIFHSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001206197114 815638401 /nfs/dbraw/zinc/63/84/01/815638401.db2.gz GETTVOPRFWTRSD-JQWIXIFHSA-N 2 2 290.741 2.446 20 10 CECDLP C[C@H](C[NH2+]Cc1c(O)cccc1Cl)C[NH+](C)C ZINC000291683443 377205260 /nfs/dbraw/zinc/20/52/60/377205260.db2.gz IAXIETKFOAIWNJ-SNVBAGLBSA-N 2 2 256.777 2.333 20 10 CECDLP Oc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271352589 394754754 /nfs/dbraw/zinc/75/47/54/394754754.db2.gz LRJGEYXBLMPDSJ-ZDUSSCGKSA-N 2 2 257.337 2.495 20 10 CECDLP Oc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271352589 394754758 /nfs/dbraw/zinc/75/47/58/394754758.db2.gz LRJGEYXBLMPDSJ-ZDUSSCGKSA-N 2 2 257.337 2.495 20 10 CECDLP C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C[NH+]1CCOCC1 ZINC000185505631 262057820 /nfs/dbraw/zinc/05/78/20/262057820.db2.gz KGOWRUVTZNMLLX-OLZOCXBDSA-N 2 2 296.386 2.150 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000756118325 574797247 /nfs/dbraw/zinc/79/72/47/574797247.db2.gz LZZSEFVHJQLXAQ-CZUORRHYSA-N 2 2 261.413 2.101 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000756118325 574797248 /nfs/dbraw/zinc/79/72/48/574797248.db2.gz LZZSEFVHJQLXAQ-CZUORRHYSA-N 2 2 261.413 2.101 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)c2c1c(F)ccc2O ZINC000902406121 634620490 /nfs/dbraw/zinc/62/04/90/634620490.db2.gz LTSKDBWQBAQYGC-SCZZXKLOSA-N 2 2 250.317 2.161 20 10 CECDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2O)s1 ZINC000796285001 629834332 /nfs/dbraw/zinc/83/43/32/629834332.db2.gz WCPZZGVTEKPNIE-UHFFFAOYSA-N 2 2 277.393 2.200 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032260 631819877 /nfs/dbraw/zinc/81/98/77/631819877.db2.gz AYHVAITWERPCGN-SNVBAGLBSA-N 2 2 254.761 2.135 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000841043031 632330189 /nfs/dbraw/zinc/33/01/89/632330189.db2.gz MWHMHIRLUXVNDS-SJDLMVEWSA-N 2 2 259.397 2.107 20 10 CECDLP C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C[NH+](C)C ZINC000813785629 632733269 /nfs/dbraw/zinc/73/32/69/632733269.db2.gz FLJPFYBTZCHMQP-VIFPVBQESA-N 2 2 274.767 2.472 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939168 633788918 /nfs/dbraw/zinc/78/89/18/633788918.db2.gz AAPDPVRLNKBLQB-GUYCJALGSA-N 2 2 284.407 2.498 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000817949867 633795080 /nfs/dbraw/zinc/79/50/80/633795080.db2.gz OMHAWZBAXBPGHZ-NWDGAFQWSA-N 2 2 264.369 2.194 20 10 CECDLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950800 633796249 /nfs/dbraw/zinc/79/62/49/633796249.db2.gz ZGECGCNAYHRQBA-CMPLNLGQSA-N 2 2 252.333 2.324 20 10 CECDLP CC[NH2+]CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952084 633796330 /nfs/dbraw/zinc/79/63/30/633796330.db2.gz MVESDTPSQWGSNJ-ONGXEEELSA-N 2 2 252.333 2.279 20 10 CECDLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817959894 633803070 /nfs/dbraw/zinc/80/30/70/633803070.db2.gz WKGLEXBEOPAZRZ-QPUJVOFHSA-N 2 2 258.312 2.304 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2c1c(F)ccc2O ZINC000817977065 633819949 /nfs/dbraw/zinc/81/99/49/633819949.db2.gz ZXVCZBRIISPTSD-FYLLDIAZSA-N 2 2 282.334 2.369 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1O ZINC000841043118 639630062 /nfs/dbraw/zinc/63/00/62/639630062.db2.gz PZYDALFTHHJCLX-GFCCVEGCSA-N 2 2 254.761 2.196 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@H]2CCSC2)cc1 ZINC000841046259 639631087 /nfs/dbraw/zinc/63/10/87/639631087.db2.gz YQKPPYSBDZGIAR-IUODEOHRSA-N 2 2 279.453 2.095 20 10 CECDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841059576 639636878 /nfs/dbraw/zinc/63/68/78/639636878.db2.gz UUTXMQQXLMKTCB-JOYOIKCWSA-N 2 2 299.212 2.242 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841104928 639672865 /nfs/dbraw/zinc/67/28/65/639672865.db2.gz AWCMIWTVQPBMGK-QGZVFWFLSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841104928 639672930 /nfs/dbraw/zinc/67/29/30/639672930.db2.gz AWCMIWTVQPBMGK-QGZVFWFLSA-N 2 2 273.424 2.389 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1O ZINC000842476088 640075910 /nfs/dbraw/zinc/07/59/10/640075910.db2.gz GHKPCWVEZFYJPI-FEUHOPSXSA-N 2 2 294.370 2.210 20 10 CECDLP [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000843047090 640251151 /nfs/dbraw/zinc/25/11/51/640251151.db2.gz GLSLHWVSAUOPOF-UHFFFAOYSA-N 2 2 272.751 2.355 20 10 CECDLP C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1[NH3+] ZINC000843120378 640289681 /nfs/dbraw/zinc/28/96/81/640289681.db2.gz IBGXYIUXEYLFEZ-RHSMWYFYSA-N 2 2 273.424 2.456 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1[NH3+] ZINC000843120378 640289686 /nfs/dbraw/zinc/28/96/86/640289686.db2.gz IBGXYIUXEYLFEZ-RHSMWYFYSA-N 2 2 273.424 2.456 20 10 CECDLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817961822 642183497 /nfs/dbraw/zinc/18/34/97/642183497.db2.gz DDNRCXJZQOCKKC-LLVKDONJSA-N 2 2 252.358 2.051 20 10 CECDLP C[NH+](C)C1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922213820 642961908 /nfs/dbraw/zinc/96/19/08/642961908.db2.gz HQDVNWOAKDETBC-UHFFFAOYSA-N 2 2 260.381 2.194 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1[NH3+] ZINC000843052029 644758832 /nfs/dbraw/zinc/75/88/32/644758832.db2.gz OROTUMJYBITVGJ-SKDRFNHKSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1[NH3+] ZINC000843052029 644758834 /nfs/dbraw/zinc/75/88/34/644758834.db2.gz OROTUMJYBITVGJ-SKDRFNHKSA-N 2 2 254.761 2.215 20 10 CECDLP COc1cccc(O)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000769187874 646221386 /nfs/dbraw/zinc/22/13/86/646221386.db2.gz KQOGCXYBEARXEY-UHFFFAOYSA-N 2 2 287.363 2.434 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000769485399 646275584 /nfs/dbraw/zinc/27/55/84/646275584.db2.gz QMRCDDPAYMSTNH-STQMWFEESA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000769485399 646275589 /nfs/dbraw/zinc/27/55/89/646275589.db2.gz QMRCDDPAYMSTNH-STQMWFEESA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000769485399 646275591 /nfs/dbraw/zinc/27/55/91/646275591.db2.gz QMRCDDPAYMSTNH-STQMWFEESA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000769485399 646275597 /nfs/dbraw/zinc/27/55/97/646275597.db2.gz QMRCDDPAYMSTNH-STQMWFEESA-N 2 2 278.396 2.315 20 10 CECDLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000703558202 809662996 /nfs/dbraw/zinc/66/29/96/809662996.db2.gz WSQUGDWJQSCSRP-IINYFYTJSA-N 2 2 266.772 2.087 20 10 CECDLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000703558202 809662998 /nfs/dbraw/zinc/66/29/98/809662998.db2.gz WSQUGDWJQSCSRP-IINYFYTJSA-N 2 2 266.772 2.087 20 10 CECDLP CC(C)N(CCC[NH3+])c1ccc(Cn2cc[nH+]c2)cc1 ZINC001164127545 810299192 /nfs/dbraw/zinc/29/91/92/810299192.db2.gz YCKWXRNBCPZSCU-UHFFFAOYSA-N 2 2 272.396 2.495 20 10 CECDLP CC1(C[NH3+])C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206737868 816086825 /nfs/dbraw/zinc/08/68/25/816086825.db2.gz UCTGKDNIIMNMQO-UHFFFAOYSA-N 2 2 290.285 2.071 20 10 CECDLP CN1CCOc2cc(C[NH+]3CCC([NH+](C)C)CC3)ccc21 ZINC001141139402 816484096 /nfs/dbraw/zinc/48/40/96/816484096.db2.gz RILJQLTXZMSFHH-UHFFFAOYSA-N 2 2 289.423 2.041 20 10 CECDLP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000377769271 539749227 /nfs/dbraw/zinc/74/92/27/539749227.db2.gz AFVQYFPQSHGHCE-CYBMUJFWSA-N 2 2 271.364 2.374 20 10 CECDLP COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000377769271 539749231 /nfs/dbraw/zinc/74/92/31/539749231.db2.gz AFVQYFPQSHGHCE-CYBMUJFWSA-N 2 2 271.364 2.374 20 10 CECDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611760 373580423 /nfs/dbraw/zinc/58/04/23/373580423.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611760 373580431 /nfs/dbraw/zinc/58/04/31/373580431.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611760 373580434 /nfs/dbraw/zinc/58/04/34/373580434.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611760 373580442 /nfs/dbraw/zinc/58/04/42/373580442.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC)c1O ZINC000091892779 260267182 /nfs/dbraw/zinc/26/71/82/260267182.db2.gz YRAAKVPYDRDUCY-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OC)c1O ZINC000091892779 260267183 /nfs/dbraw/zinc/26/71/83/260267183.db2.gz YRAAKVPYDRDUCY-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC)c1O ZINC000091892779 260267185 /nfs/dbraw/zinc/26/71/85/260267185.db2.gz YRAAKVPYDRDUCY-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OC)c1O ZINC000091892779 260267187 /nfs/dbraw/zinc/26/71/87/260267187.db2.gz YRAAKVPYDRDUCY-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185144831 262043548 /nfs/dbraw/zinc/04/35/48/262043548.db2.gz VCOLTTRKOGMFHG-GFCCVEGCSA-N 2 2 296.386 2.293 20 10 CECDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1O ZINC000273383848 525406194 /nfs/dbraw/zinc/40/61/94/525406194.db2.gz IVOFPZIJKWOLMX-AAEUAGOBSA-N 2 2 298.814 2.153 20 10 CECDLP CN1CCCc2cc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)ccc21 ZINC000925531534 628131144 /nfs/dbraw/zinc/13/11/44/628131144.db2.gz LGPUXWCAJYYBRA-QGZVFWFLSA-N 2 2 285.435 2.443 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902472493 634664279 /nfs/dbraw/zinc/66/42/79/634664279.db2.gz BAZURWOLPHESJN-XABYNWHXSA-N 2 2 259.397 2.296 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902475963 634667690 /nfs/dbraw/zinc/66/76/90/634667690.db2.gz KNXOWKRSVVRPNC-YPWHJJHSSA-N 2 2 250.317 2.075 20 10 CECDLP CCO[C@@H](C[NH2+][C@H](CC)c1ccccc1O)C[NH+](C)C ZINC000926958246 632385267 /nfs/dbraw/zinc/38/52/67/632385267.db2.gz FIBNYHLDSLSSCY-DZGCQCFKSA-N 2 2 280.412 2.400 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900440 633761193 /nfs/dbraw/zinc/76/11/93/633761193.db2.gz MTNMALYYXADGKL-CZUORRHYSA-N 2 2 273.424 2.157 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951948 633796191 /nfs/dbraw/zinc/79/61/91/633796191.db2.gz BRSSXYRFPFPCGX-JOYOIKCWSA-N 2 2 264.344 2.421 20 10 CECDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974208 633816731 /nfs/dbraw/zinc/81/67/31/633816731.db2.gz JKIWGHGFFOIEOQ-RHSMWYFYSA-N 2 2 291.439 2.172 20 10 CECDLP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1O ZINC000817977939 633822082 /nfs/dbraw/zinc/82/20/82/633822082.db2.gz RVAPVPJSADPCBV-QAHWYCSRSA-N 2 2 286.297 2.279 20 10 CECDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1O ZINC000817982978 633826010 /nfs/dbraw/zinc/82/60/10/633826010.db2.gz XEXHYKCQMOBKFN-RISCZKNCSA-N 2 2 298.814 2.465 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1O ZINC000817984561 633827386 /nfs/dbraw/zinc/82/73/86/633827386.db2.gz UHYIGKOFENCBQQ-CMPLNLGQSA-N 2 2 252.333 2.324 20 10 CECDLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380799 635604936 /nfs/dbraw/zinc/60/49/36/635604936.db2.gz GXMYUTSFBHPXIS-SWLSCSKDSA-N 2 2 260.381 2.242 20 10 CECDLP [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000904405484 635612156 /nfs/dbraw/zinc/61/21/56/635612156.db2.gz JXPROXVPLZSDSJ-JTQLQIEISA-N 2 2 254.761 2.216 20 10 CECDLP [NH3+]CC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000904405484 635612160 /nfs/dbraw/zinc/61/21/60/635612160.db2.gz JXPROXVPLZSDSJ-JTQLQIEISA-N 2 2 254.761 2.216 20 10 CECDLP COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000904461855 635634040 /nfs/dbraw/zinc/63/40/40/635634040.db2.gz PCFAYQSDSRUZQP-NVXWUHKLSA-N 2 2 284.359 2.115 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000904460994 635644840 /nfs/dbraw/zinc/64/48/40/635644840.db2.gz DAFCHYPNFIRWHJ-HNNXBMFYSA-N 2 2 261.413 2.149 20 10 CECDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000834808235 637956912 /nfs/dbraw/zinc/95/69/12/637956912.db2.gz YPFPJXSCJCUKFI-DGCLKSJQSA-N 2 2 269.348 2.250 20 10 CECDLP Cc1cc(O)c(C[NH2+]CCC[NH+](C)C)c(Cl)c1 ZINC000840872858 639568450 /nfs/dbraw/zinc/56/84/50/639568450.db2.gz NPKFISQGEKXRAJ-UHFFFAOYSA-N 2 2 256.777 2.395 20 10 CECDLP CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000841033613 639627013 /nfs/dbraw/zinc/62/70/13/639627013.db2.gz XSPNCIQHADYEQD-CYBMUJFWSA-N 2 2 264.369 2.023 20 10 CECDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000841065229 639640986 /nfs/dbraw/zinc/64/09/86/639640986.db2.gz ZFOQCLZYMSMPLK-JOYOIKCWSA-N 2 2 254.761 2.133 20 10 CECDLP c1cc2c(cc1C[NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000228828454 639661108 /nfs/dbraw/zinc/66/11/08/639661108.db2.gz OFAPKCKIHCAXFE-UHFFFAOYSA-N 2 2 260.381 2.197 20 10 CECDLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccccc1F ZINC000841103787 639677207 /nfs/dbraw/zinc/67/72/07/639677207.db2.gz KXUZOYAHZSQTTF-GOEBONIOSA-N 2 2 286.350 2.458 20 10 CECDLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccccc1F ZINC000841103787 639677256 /nfs/dbraw/zinc/67/72/56/639677256.db2.gz KXUZOYAHZSQTTF-GOEBONIOSA-N 2 2 286.350 2.458 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1O ZINC000842476090 640074872 /nfs/dbraw/zinc/07/48/72/640074872.db2.gz GHKPCWVEZFYJPI-IQMDTDKHSA-N 2 2 294.370 2.210 20 10 CECDLP Cc1cc(O)c(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1C ZINC000843056365 640258084 /nfs/dbraw/zinc/25/80/84/640258084.db2.gz ZTZBJGPBKQQNBD-HNNXBMFYSA-N 2 2 260.381 2.335 20 10 CECDLP Cc1cc(O)c(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1C ZINC000843056365 640258092 /nfs/dbraw/zinc/25/80/92/640258092.db2.gz ZTZBJGPBKQQNBD-HNNXBMFYSA-N 2 2 260.381 2.335 20 10 CECDLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000843129051 640295231 /nfs/dbraw/zinc/29/52/31/640295231.db2.gz LYMHNQONIDBXFC-HTQZYQBOSA-N 2 2 260.740 2.400 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000843128905 640295684 /nfs/dbraw/zinc/29/56/84/640295684.db2.gz YYBLETVZXCMMJT-UKRRQHHQSA-N 2 2 277.387 2.076 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000843128905 640295688 /nfs/dbraw/zinc/29/56/88/640295688.db2.gz YYBLETVZXCMMJT-UKRRQHHQSA-N 2 2 277.387 2.076 20 10 CECDLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000843129936 640296085 /nfs/dbraw/zinc/29/60/85/640296085.db2.gz UXUMSKDFABPWLG-RKDXNWHRSA-N 2 2 287.201 2.370 20 10 CECDLP c1cn(CCC[NH2+]Cc2ccc3c(c2)CCCO3)c[nH+]1 ZINC000921472525 641288967 /nfs/dbraw/zinc/28/89/67/641288967.db2.gz IZPCNVZRILJTIC-UHFFFAOYSA-N 2 2 271.364 2.388 20 10 CECDLP CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000250516600 641546823 /nfs/dbraw/zinc/54/68/23/641546823.db2.gz OROJWMQXNUNPKK-GXTWGEPZSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000250516600 641546834 /nfs/dbraw/zinc/54/68/34/641546834.db2.gz OROJWMQXNUNPKK-GXTWGEPZSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000070175515 641642063 /nfs/dbraw/zinc/64/20/63/641642063.db2.gz OROJWMQXNUNPKK-JSGCOSHPSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000070175515 641642067 /nfs/dbraw/zinc/64/20/67/641642067.db2.gz OROJWMQXNUNPKK-JSGCOSHPSA-N 2 2 278.396 2.350 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000858132194 645070546 /nfs/dbraw/zinc/07/05/46/645070546.db2.gz VZURBURXGJJFMY-LBPRGKRZSA-N 2 2 297.393 2.462 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000858132194 645070551 /nfs/dbraw/zinc/07/05/51/645070551.db2.gz VZURBURXGJJFMY-LBPRGKRZSA-N 2 2 297.393 2.462 20 10 CECDLP Oc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000770511023 646400009 /nfs/dbraw/zinc/40/00/09/646400009.db2.gz VSRFUHIBRWBLFY-UHFFFAOYSA-N 2 2 257.337 2.495 20 10 CECDLP Cc1cc(Br)cc(C[N@@H+](C)C[C@H](C)[NH3+])c1O ZINC000863652799 646773916 /nfs/dbraw/zinc/77/39/16/646773916.db2.gz XBFLYKJDZATWBS-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)cc(C[N@H+](C)C[C@H](C)[NH3+])c1O ZINC000863652799 646773922 /nfs/dbraw/zinc/77/39/22/646773922.db2.gz XBFLYKJDZATWBS-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000863646797 646776351 /nfs/dbraw/zinc/77/63/51/646776351.db2.gz OQQHMSVNSYJHBJ-JKSUJKDBSA-N 2 2 261.413 2.291 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650592 646777086 /nfs/dbraw/zinc/77/70/86/646777086.db2.gz WASOWMFZVSCUTO-RCELQXLSSA-N 2 2 273.424 2.496 20 10 CECDLP COc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230228 649601258 /nfs/dbraw/zinc/60/12/58/649601258.db2.gz NSKWETAAYFZRQB-CVEARBPZSA-N 2 2 260.381 2.378 20 10 CECDLP CCOc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c(O)c1 ZINC000873229747 649601431 /nfs/dbraw/zinc/60/14/31/649601431.db2.gz FMCFARBONPJKCR-HOTGVXAUSA-N 2 2 276.380 2.165 20 10 CECDLP Nc1cc[nH+]c(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000925768433 804318076 /nfs/dbraw/zinc/31/80/76/804318076.db2.gz UNIPDGJSTZZBQO-ZDUSSCGKSA-N 2 2 255.321 2.147 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037158080 815022072 /nfs/dbraw/zinc/02/20/72/815022072.db2.gz LAGIAIACILYBJX-SNVBAGLBSA-N 2 2 265.744 2.420 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001206197247 815639373 /nfs/dbraw/zinc/63/93/73/815639373.db2.gz HAXGCVLAWVXRIA-MWLCHTKSSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001206197247 815639374 /nfs/dbraw/zinc/63/93/74/815639374.db2.gz HAXGCVLAWVXRIA-MWLCHTKSSA-N 2 2 290.741 2.446 20 10 CECDLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1O)C[NH+]1CCOCC1 ZINC000185504849 262056918 /nfs/dbraw/zinc/05/69/18/262056918.db2.gz OFELBBKJPNZENZ-CHWSQXEVSA-N 2 2 296.386 2.150 20 10 CECDLP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000185505330 262058159 /nfs/dbraw/zinc/05/81/59/262058159.db2.gz CFFYKTKPCBHKPE-GJZGRUSLSA-N 2 2 292.423 2.320 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000185141884 262302993 /nfs/dbraw/zinc/30/29/93/262302993.db2.gz TWXDGJBHYKEHIE-NWDGAFQWSA-N 2 2 264.369 2.146 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000185141884 262302995 /nfs/dbraw/zinc/30/29/95/262302995.db2.gz TWXDGJBHYKEHIE-NWDGAFQWSA-N 2 2 264.369 2.146 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000377787129 329029387 /nfs/dbraw/zinc/02/93/87/329029387.db2.gz SDGDJQJRBYHBRA-GFCCVEGCSA-N 2 2 288.370 2.262 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000377787129 329029388 /nfs/dbraw/zinc/02/93/88/329029388.db2.gz SDGDJQJRBYHBRA-GFCCVEGCSA-N 2 2 288.370 2.262 20 10 CECDLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3O)CC2)CCO1 ZINC000179562870 329209832 /nfs/dbraw/zinc/20/98/32/329209832.db2.gz CNCVLQZUBVBQTF-AWEZNQCLSA-N 2 2 290.407 2.077 20 10 CECDLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3O)CC2)CCO1 ZINC000179562870 329209833 /nfs/dbraw/zinc/20/98/33/329209833.db2.gz CNCVLQZUBVBQTF-AWEZNQCLSA-N 2 2 290.407 2.077 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902476892 634667365 /nfs/dbraw/zinc/66/73/65/634667365.db2.gz RKVCOPRSLPMYJL-YPWHJJHSSA-N 2 2 250.317 2.075 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000219584515 628812578 /nfs/dbraw/zinc/81/25/78/628812578.db2.gz RLKMCHHWBWCVIU-MFKMUULPSA-N 2 2 252.333 2.233 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000219584515 628812580 /nfs/dbraw/zinc/81/25/80/628812580.db2.gz RLKMCHHWBWCVIU-MFKMUULPSA-N 2 2 252.333 2.233 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)cc(F)c1O ZINC000925883950 628982816 /nfs/dbraw/zinc/98/28/16/628982816.db2.gz ZESWPUCFJJBWNP-NGZCFLSTSA-N 2 2 270.323 2.448 20 10 CECDLP Oc1c(F)cccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000841042594 632317995 /nfs/dbraw/zinc/31/79/95/632317995.db2.gz NRVVWRHSHSMKAR-UHFFFAOYSA-N 2 2 289.354 2.196 20 10 CECDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000841059004 632361100 /nfs/dbraw/zinc/36/11/00/632361100.db2.gz IYMWOIFCGALOKD-WMLDXEAASA-N 2 2 273.424 2.374 20 10 CECDLP CCO[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)C[NH+](C)C ZINC000926964307 632392631 /nfs/dbraw/zinc/39/26/31/632392631.db2.gz WYDQZNBCEIOSEU-QWHCGFSZSA-N 2 2 296.411 2.018 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940886 633789498 /nfs/dbraw/zinc/78/94/98/633789498.db2.gz LWGVLZUMHYQXIA-KNPMLCFXSA-N 2 2 261.413 2.387 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944428 633791277 /nfs/dbraw/zinc/79/12/77/633791277.db2.gz BSKMDTSUETVQDL-WCABBAIRSA-N 2 2 250.317 2.031 20 10 CECDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000817945232 633792852 /nfs/dbraw/zinc/79/28/52/633792852.db2.gz XOXIXDMJNCOJSJ-ONGXEEELSA-N 2 2 254.761 2.367 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000817959799 633800507 /nfs/dbraw/zinc/80/05/07/633800507.db2.gz VGBJZVWMZMMJDC-DGCLKSJQSA-N 2 2 294.395 2.203 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817971529 633812105 /nfs/dbraw/zinc/81/21/05/633812105.db2.gz DWEVCBNIONMMBF-SFYZADRCSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817969201 633812446 /nfs/dbraw/zinc/81/24/46/633812446.db2.gz RQDGZVJSTWGYBE-KOLCDFICSA-N 2 2 270.323 2.463 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817973282 633817088 /nfs/dbraw/zinc/81/70/88/633817088.db2.gz SJJDJLWSRVZRRS-SFYZADRCSA-N 2 2 262.275 2.409 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817976817 633820544 /nfs/dbraw/zinc/82/05/44/633820544.db2.gz UZGZHTUFOKOKMT-DZKIICNBSA-N 2 2 279.403 2.493 20 10 CECDLP COc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1O ZINC000045094601 639392708 /nfs/dbraw/zinc/39/27/08/639392708.db2.gz LFTAGUWFBJGICK-UHFFFAOYSA-N 2 2 275.352 2.167 20 10 CECDLP Cc1ncsc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045788 639630996 /nfs/dbraw/zinc/63/09/96/639630996.db2.gz QBZFNZIFLJWMGL-CQSZACIVSA-N 2 2 290.436 2.307 20 10 CECDLP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000841049637 639632076 /nfs/dbraw/zinc/63/20/76/639632076.db2.gz MNGPNBYNOWFCNC-NSHDSACASA-N 2 2 258.724 2.012 20 10 CECDLP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000841084651 639650806 /nfs/dbraw/zinc/65/08/06/639650806.db2.gz MNQSMHHSVMEDJH-GZMMTYOYSA-N 2 2 272.751 2.402 20 10 CECDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841085431 639650831 /nfs/dbraw/zinc/65/08/31/639650831.db2.gz CFKFAANQALHRGS-LBPRGKRZSA-N 2 2 299.212 2.385 20 10 CECDLP Oc1ccc(Br)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841090337 639653564 /nfs/dbraw/zinc/65/35/64/639653564.db2.gz ODVUUSLSQWYQKE-LBPRGKRZSA-N 2 2 299.212 2.386 20 10 CECDLP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000843044718 640250118 /nfs/dbraw/zinc/25/01/18/640250118.db2.gz GHEHQPMUJDQNGN-DGCLKSJQSA-N 2 2 294.395 2.111 20 10 CECDLP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000843044718 640250122 /nfs/dbraw/zinc/25/01/22/640250122.db2.gz GHEHQPMUJDQNGN-DGCLKSJQSA-N 2 2 294.395 2.111 20 10 CECDLP C[NH2+]C1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000843049718 640253529 /nfs/dbraw/zinc/25/35/29/640253529.db2.gz TWCSJKFHFIVJDV-PLNGDYQASA-N 2 2 273.424 2.450 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364442 640405102 /nfs/dbraw/zinc/40/51/02/640405102.db2.gz IGBOMRCSZSTVJL-KOLCDFICSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364442 640405105 /nfs/dbraw/zinc/40/51/05/640405105.db2.gz IGBOMRCSZSTVJL-KOLCDFICSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000843384952 640412241 /nfs/dbraw/zinc/41/22/41/640412241.db2.gz LQJFMLCVWIXFAD-AWEZNQCLSA-N 2 2 294.370 2.437 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1O ZINC000843384952 640412242 /nfs/dbraw/zinc/41/22/42/640412242.db2.gz LQJFMLCVWIXFAD-AWEZNQCLSA-N 2 2 294.370 2.437 20 10 CECDLP [NH3+]CC1(CC[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000844903643 640861508 /nfs/dbraw/zinc/86/15/08/640861508.db2.gz IYDFQPKLYHJITN-UHFFFAOYSA-N 2 2 254.761 2.264 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000853245932 643720569 /nfs/dbraw/zinc/72/05/69/643720569.db2.gz CYVSZSMNVRBABA-ONEGZZNKSA-N 2 2 271.408 2.107 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000854231983 644018452 /nfs/dbraw/zinc/01/84/52/644018452.db2.gz MOPWINSRVOOAAO-QXEWZRGKSA-N 2 2 252.333 2.277 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000863484100 646740404 /nfs/dbraw/zinc/74/04/04/646740404.db2.gz TZGBMLXBAVFAKQ-NWDGAFQWSA-N 2 2 254.761 2.276 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000779060674 647284855 /nfs/dbraw/zinc/28/48/55/647284855.db2.gz HXZMTXTWBQHKPI-NEPJUHHUSA-N 2 2 257.337 2.254 20 10 CECDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000873217340 649593741 /nfs/dbraw/zinc/59/37/41/649593741.db2.gz ZZOYOKPEMYWQHN-GXSJLCMTSA-N 2 2 254.761 2.072 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000873217340 649593744 /nfs/dbraw/zinc/59/37/44/649593744.db2.gz ZZOYOKPEMYWQHN-GXSJLCMTSA-N 2 2 254.761 2.072 20 10 CECDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(Cl)cc1O ZINC001205068555 807324371 /nfs/dbraw/zinc/32/43/71/807324371.db2.gz JWNSQYOEYYCDKF-CABZTGNLSA-N 2 2 254.761 2.357 20 10 CECDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(Cl)cc1O ZINC001205068555 807324380 /nfs/dbraw/zinc/32/43/80/807324380.db2.gz JWNSQYOEYYCDKF-CABZTGNLSA-N 2 2 254.761 2.357 20 10 CECDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1Cl ZINC001205123933 807716189 /nfs/dbraw/zinc/71/61/89/807716189.db2.gz HNQORAFKXUJLEO-LLVKDONJSA-N 2 2 284.787 2.367 20 10 CECDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)c1Cl ZINC001205123933 807716192 /nfs/dbraw/zinc/71/61/92/807716192.db2.gz HNQORAFKXUJLEO-LLVKDONJSA-N 2 2 284.787 2.367 20 10 CECDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C ZINC000035275346 361819840 /nfs/dbraw/zinc/81/98/40/361819840.db2.gz FOPXPUCQYRXFDR-CYBMUJFWSA-N 2 2 259.353 2.378 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272625512 373587314 /nfs/dbraw/zinc/58/73/14/373587314.db2.gz MKGITCYIMNWNSH-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272625512 373587319 /nfs/dbraw/zinc/58/73/19/373587319.db2.gz MKGITCYIMNWNSH-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216259 328716791 /nfs/dbraw/zinc/71/67/91/328716791.db2.gz PAIANCSNHFWMLZ-HZMBPMFUSA-N 2 2 264.344 2.467 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000185141843 262302961 /nfs/dbraw/zinc/30/29/61/262302961.db2.gz TWXDGJBHYKEHIE-RYUDHWBXSA-N 2 2 264.369 2.146 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000185141843 262302962 /nfs/dbraw/zinc/30/29/62/262302962.db2.gz TWXDGJBHYKEHIE-RYUDHWBXSA-N 2 2 264.369 2.146 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000230934239 333322663 /nfs/dbraw/zinc/32/26/63/333322663.db2.gz WKDWJSJFGWZHDU-GFCCVEGCSA-N 2 2 284.787 2.238 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000230934239 333322664 /nfs/dbraw/zinc/32/26/64/333322664.db2.gz WKDWJSJFGWZHDU-GFCCVEGCSA-N 2 2 284.787 2.238 20 10 CECDLP Cc1ccc(O)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290323399 525340608 /nfs/dbraw/zinc/34/06/08/525340608.db2.gz DDBHZQKRKFCGGI-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP Cc1ccc(O)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290323399 525340618 /nfs/dbraw/zinc/34/06/18/525340618.db2.gz DDBHZQKRKFCGGI-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449414 634672275 /nfs/dbraw/zinc/67/22/75/634672275.db2.gz OCKSYPBVVWOCHX-ZANVPECISA-N 2 2 252.333 2.180 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902449056 634672394 /nfs/dbraw/zinc/67/23/94/634672394.db2.gz LKJKSMMCIKKLAY-IINYFYTJSA-N 2 2 264.369 2.049 20 10 CECDLP COc1cc(C)cc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1O ZINC000895453222 630194173 /nfs/dbraw/zinc/19/41/73/630194173.db2.gz GEAPQYUOWKWKTN-HNNXBMFYSA-N 2 2 290.407 2.235 20 10 CECDLP COc1cc(C)cc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1O ZINC000895453222 630194175 /nfs/dbraw/zinc/19/41/75/630194175.db2.gz GEAPQYUOWKWKTN-HNNXBMFYSA-N 2 2 290.407 2.235 20 10 CECDLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000843127573 631750113 /nfs/dbraw/zinc/75/01/13/631750113.db2.gz DZBQPCRNYCRSFR-SFYZADRCSA-N 2 2 260.740 2.400 20 10 CECDLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817954593 633798832 /nfs/dbraw/zinc/79/88/32/633798832.db2.gz ZMDVMWFKTLKAMD-DGCLKSJQSA-N 2 2 252.333 2.324 20 10 CECDLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817959893 633803118 /nfs/dbraw/zinc/80/31/18/633803118.db2.gz WKGLEXBEOPAZRZ-PRHODGIISA-N 2 2 258.312 2.304 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817969200 633811414 /nfs/dbraw/zinc/81/14/14/633811414.db2.gz RQDGZVJSTWGYBE-GXSJLCMTSA-N 2 2 270.323 2.463 20 10 CECDLP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1O ZINC000817970417 633813405 /nfs/dbraw/zinc/81/34/05/633813405.db2.gz VBHDUXMXQCNFIH-IUCAKERBSA-N 2 2 287.201 2.461 20 10 CECDLP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000904406393 635614059 /nfs/dbraw/zinc/61/40/59/635614059.db2.gz SBKMIGWYMOXCKX-VIFPVBQESA-N 2 2 272.751 2.355 20 10 CECDLP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000904406393 635614063 /nfs/dbraw/zinc/61/40/63/635614063.db2.gz SBKMIGWYMOXCKX-VIFPVBQESA-N 2 2 272.751 2.355 20 10 CECDLP Oc1ccc(F)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000226586049 639554715 /nfs/dbraw/zinc/55/47/15/639554715.db2.gz YLAVBWCCSGMVRG-UHFFFAOYSA-N 2 2 263.316 2.298 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000841034536 639626668 /nfs/dbraw/zinc/62/66/68/639626668.db2.gz DYUAUNZHBQVWDV-UYWPIULCSA-N 2 2 259.397 2.107 20 10 CECDLP Oc1c(Br)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036407 639627448 /nfs/dbraw/zinc/62/74/48/639627448.db2.gz MTVKMIAQNAVLEA-SNVBAGLBSA-N 2 2 299.212 2.244 20 10 CECDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841060043 639636746 /nfs/dbraw/zinc/63/67/46/639636746.db2.gz DUBJYTKQNZIBPP-GFCCVEGCSA-N 2 2 292.383 2.022 20 10 CECDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841059575 639637117 /nfs/dbraw/zinc/63/71/17/639637117.db2.gz UUTXMQQXLMKTCB-CABZTGNLSA-N 2 2 299.212 2.242 20 10 CECDLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841063238 639638577 /nfs/dbraw/zinc/63/85/77/639638577.db2.gz GUKKFPVJXUEWPP-GZMMTYOYSA-N 2 2 272.751 2.272 20 10 CECDLP C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841079980 639648674 /nfs/dbraw/zinc/64/86/74/639648674.db2.gz MLHRTMCFBLYDAY-QMMMGPOBSA-N 2 2 260.740 2.402 20 10 CECDLP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000843044717 640249440 /nfs/dbraw/zinc/24/94/40/640249440.db2.gz GHEHQPMUJDQNGN-AAEUAGOBSA-N 2 2 294.395 2.111 20 10 CECDLP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000843044717 640249445 /nfs/dbraw/zinc/24/94/45/640249445.db2.gz GHEHQPMUJDQNGN-AAEUAGOBSA-N 2 2 294.395 2.111 20 10 CECDLP C[NH2+]CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000843049418 640253349 /nfs/dbraw/zinc/25/33/49/640253349.db2.gz LKFOXGXTQHKOSX-UHFFFAOYSA-N 2 2 268.788 2.477 20 10 CECDLP Oc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848575652 642062911 /nfs/dbraw/zinc/06/29/11/642062911.db2.gz URHHWBSKPCTISU-HUUCEWRRSA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848575652 642062918 /nfs/dbraw/zinc/06/29/18/642062918.db2.gz URHHWBSKPCTISU-HUUCEWRRSA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848575650 642063415 /nfs/dbraw/zinc/06/34/15/642063415.db2.gz URHHWBSKPCTISU-CABCVRRESA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848575650 642063420 /nfs/dbraw/zinc/06/34/20/642063420.db2.gz URHHWBSKPCTISU-CABCVRRESA-N 2 2 260.381 2.499 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000853249389 643721887 /nfs/dbraw/zinc/72/18/87/643721887.db2.gz QNYMZQXOWFEHCO-SECBINFHSA-N 2 2 287.201 2.161 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000854232172 644019013 /nfs/dbraw/zinc/01/90/13/644019013.db2.gz NVBVIRLDNDTUBK-RKDXNWHRSA-N 2 2 287.201 2.413 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000858090750 645057754 /nfs/dbraw/zinc/05/77/54/645057754.db2.gz SLLJSPLDHCHSGH-UHFFFAOYSA-N 2 2 283.366 2.215 20 10 CECDLP CCOc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000778187009 647207118 /nfs/dbraw/zinc/20/71/18/647207118.db2.gz CGKYHGRJGUJCDR-ZDUSSCGKSA-N 2 2 287.363 2.092 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000866676006 647864854 /nfs/dbraw/zinc/86/48/54/647864854.db2.gz VQMPLMXTCTUQSV-BXKDBHETSA-N 2 2 296.798 2.275 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000866676006 647864858 /nfs/dbraw/zinc/86/48/58/647864858.db2.gz VQMPLMXTCTUQSV-BXKDBHETSA-N 2 2 296.798 2.275 20 10 CECDLP C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C[NH3+] ZINC000873215371 649593071 /nfs/dbraw/zinc/59/30/71/649593071.db2.gz DJBAFCZOIGBYPH-RKDXNWHRSA-N 2 2 272.751 2.211 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C[NH3+] ZINC000873215371 649593075 /nfs/dbraw/zinc/59/30/75/649593075.db2.gz DJBAFCZOIGBYPH-RKDXNWHRSA-N 2 2 272.751 2.211 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880137161 651389371 /nfs/dbraw/zinc/38/93/71/651389371.db2.gz YZSXKGMMSLKUFS-DLBZAZTESA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880137161 651389373 /nfs/dbraw/zinc/38/93/73/651389373.db2.gz YZSXKGMMSLKUFS-DLBZAZTESA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880137161 651389375 /nfs/dbraw/zinc/38/93/75/651389375.db2.gz YZSXKGMMSLKUFS-DLBZAZTESA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880137161 651389376 /nfs/dbraw/zinc/38/93/76/651389376.db2.gz YZSXKGMMSLKUFS-DLBZAZTESA-N 2 2 273.424 2.421 20 10 CECDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464353 802944084 /nfs/dbraw/zinc/94/40/84/802944084.db2.gz MMAJAVIDUGCWOH-IUODEOHRSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464353 802944088 /nfs/dbraw/zinc/94/40/88/802944088.db2.gz MMAJAVIDUGCWOH-IUODEOHRSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708495435 809944366 /nfs/dbraw/zinc/94/43/66/809944366.db2.gz BAABHNJHGNXGKZ-UHFFFAOYSA-N 2 2 270.323 2.102 20 10 CECDLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138131035 815736595 /nfs/dbraw/zinc/73/65/95/815736595.db2.gz NRQPEMYSEBPJMV-KBPBESRZSA-N 2 2 278.371 2.305 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272267701 373396955 /nfs/dbraw/zinc/39/69/55/373396955.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272267701 373396960 /nfs/dbraw/zinc/39/69/60/373396960.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272267701 373396968 /nfs/dbraw/zinc/39/69/68/373396968.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272267701 373396975 /nfs/dbraw/zinc/39/69/75/373396975.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 2 2 273.424 2.279 20 10 CECDLP CCOc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272700952 373621062 /nfs/dbraw/zinc/62/10/62/373621062.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272700952 373621066 /nfs/dbraw/zinc/62/10/66/373621066.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272700952 373621071 /nfs/dbraw/zinc/62/10/71/373621071.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272700952 373621075 /nfs/dbraw/zinc/62/10/75/373621075.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 2 2 290.407 2.317 20 10 CECDLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000155936874 261109790 /nfs/dbraw/zinc/10/97/90/261109790.db2.gz PKOXZESLHKKWAD-HOCLYGCPSA-N 2 2 292.423 2.401 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1O ZINC000185142731 262044083 /nfs/dbraw/zinc/04/40/83/262044083.db2.gz HOVKWAVECDYEBU-ZYHUDNBSSA-N 2 2 252.333 2.276 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216494 333528559 /nfs/dbraw/zinc/52/85/59/333528559.db2.gz PSJLDLAYCHXTTN-IINYFYTJSA-N 2 2 264.344 2.467 20 10 CECDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000113328525 624552070 /nfs/dbraw/zinc/55/20/70/624552070.db2.gz BEBUFVWXBAWOJB-ZDUSSCGKSA-N 2 2 265.376 2.076 20 10 CECDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1F ZINC000113328525 624552078 /nfs/dbraw/zinc/55/20/78/624552078.db2.gz BEBUFVWXBAWOJB-ZDUSSCGKSA-N 2 2 265.376 2.076 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257721793 628613987 /nfs/dbraw/zinc/61/39/87/628613987.db2.gz VRDRNBNXKXDOGN-MRXNPFEDSA-N 2 2 259.397 2.081 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000257721793 628613988 /nfs/dbraw/zinc/61/39/88/628613988.db2.gz VRDRNBNXKXDOGN-MRXNPFEDSA-N 2 2 259.397 2.081 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902466788 634683831 /nfs/dbraw/zinc/68/38/31/634683831.db2.gz MNWBXYSCJWLVKL-RUZUBIRVSA-N 2 2 264.344 2.465 20 10 CECDLP CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902041 633762995 /nfs/dbraw/zinc/76/29/95/633762995.db2.gz HHJUVHZOMGAHTG-CABCVRRESA-N 2 2 260.381 2.242 20 10 CECDLP C[NH2+]CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817951246 633788981 /nfs/dbraw/zinc/78/89/81/633788981.db2.gz CHBVCLORBYZOOF-MRVPVSSYSA-N 2 2 273.174 2.025 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941439 633790020 /nfs/dbraw/zinc/79/00/20/633790020.db2.gz QHJACSDRZYVOLU-KOLCDFICSA-N 2 2 254.761 2.448 20 10 CECDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941822 633790117 /nfs/dbraw/zinc/79/01/17/633790117.db2.gz LBOKTBOSLFEVOX-DYVFJYSZSA-N 2 2 284.407 2.498 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000817942897 633790603 /nfs/dbraw/zinc/79/06/03/633790603.db2.gz RHUPOXDBRBVTNB-JLJPHGGASA-N 2 2 291.439 2.157 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817946281 633793608 /nfs/dbraw/zinc/79/36/08/633793608.db2.gz VEIUSOQIPROIJD-VHSXEESVSA-N 2 2 270.323 2.321 20 10 CECDLP CC[C@@H]([NH2+]CC[NH2+]C)c1cc(Br)ccc1O ZINC000817953216 633797302 /nfs/dbraw/zinc/79/73/02/633797302.db2.gz XJIRSVBWDKXDIZ-LLVKDONJSA-N 2 2 287.201 2.415 20 10 CECDLP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817955558 633799500 /nfs/dbraw/zinc/79/95/00/633799500.db2.gz YUBWLQLWILUYQT-VHSXEESVSA-N 2 2 270.323 2.321 20 10 CECDLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000817959892 633803509 /nfs/dbraw/zinc/80/35/09/633803509.db2.gz WKGLEXBEOPAZRZ-PELKAZGASA-N 2 2 258.312 2.304 20 10 CECDLP C[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817965349 633806033 /nfs/dbraw/zinc/80/60/33/633806033.db2.gz PFIFDOLSEGHTRU-MRVPVSSYSA-N 2 2 274.286 2.281 20 10 CECDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974209 633817364 /nfs/dbraw/zinc/81/73/64/633817364.db2.gz JKIWGHGFFOIEOQ-WMLDXEAASA-N 2 2 291.439 2.172 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc2ccccc2c1O ZINC000817983946 633826668 /nfs/dbraw/zinc/82/66/68/633826668.db2.gz SFDIYOHILYMPNX-GXTWGEPZSA-N 2 2 286.375 2.184 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355011 635586853 /nfs/dbraw/zinc/58/68/53/635586853.db2.gz JSYYZLDTDMWJMZ-IUODEOHRSA-N 2 2 260.381 2.099 20 10 CECDLP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000904406392 635613458 /nfs/dbraw/zinc/61/34/58/635613458.db2.gz SBKMIGWYMOXCKX-SECBINFHSA-N 2 2 272.751 2.355 20 10 CECDLP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000904406392 635613463 /nfs/dbraw/zinc/61/34/63/635613463.db2.gz SBKMIGWYMOXCKX-SECBINFHSA-N 2 2 272.751 2.355 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033815 639626740 /nfs/dbraw/zinc/62/67/40/639626740.db2.gz ZRIZFUAUNDFCJA-VIFPVBQESA-N 2 2 272.751 2.274 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000841035700 639627808 /nfs/dbraw/zinc/62/78/08/639627808.db2.gz KDJSMSPZTBQVQX-LLVKDONJSA-N 2 2 299.212 2.305 20 10 CECDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841061265 639636539 /nfs/dbraw/zinc/63/65/39/639636539.db2.gz WKBJGCCHJPPBIS-SECBINFHSA-N 2 2 275.318 2.208 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000841063148 639638196 /nfs/dbraw/zinc/63/81/96/639638196.db2.gz IWFXHLGXXHBPLH-CZUORRHYSA-N 2 2 261.413 2.291 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841066718 639641429 /nfs/dbraw/zinc/64/14/29/639641429.db2.gz VFKFUFBSMFOZBB-SECBINFHSA-N 2 2 272.776 2.142 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)ccc1OC ZINC000841088800 639651999 /nfs/dbraw/zinc/65/19/99/639651999.db2.gz CMHQFZMSAQYKHL-INIZCTEOSA-N 2 2 292.423 2.463 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841090812 639653764 /nfs/dbraw/zinc/65/37/64/639653764.db2.gz RAJLEGHELAMDQM-HNNXBMFYSA-N 2 2 261.413 2.293 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841092220 639654513 /nfs/dbraw/zinc/65/45/13/639654513.db2.gz LLNJHSNIDMQKTI-UHFFFAOYSA-N 2 2 254.761 2.277 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000843054288 640257774 /nfs/dbraw/zinc/25/77/74/640257774.db2.gz JCOIJXRXKOQPKK-INIZCTEOSA-N 2 2 261.413 2.456 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000843054288 640257777 /nfs/dbraw/zinc/25/77/77/640257777.db2.gz JCOIJXRXKOQPKK-INIZCTEOSA-N 2 2 261.413 2.456 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1O ZINC000843355931 640401365 /nfs/dbraw/zinc/40/13/65/640401365.db2.gz NBNNAHNEGAVLMJ-HNNXBMFYSA-N 2 2 282.359 2.197 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000854232170 644018517 /nfs/dbraw/zinc/01/85/17/644018517.db2.gz NVBVIRLDNDTUBK-IUCAKERBSA-N 2 2 287.201 2.413 20 10 CECDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756341687 644632253 /nfs/dbraw/zinc/63/22/53/644632253.db2.gz JEUGQJCXTPNICW-SECBINFHSA-N 2 2 258.312 2.273 20 10 CECDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546100 646753240 /nfs/dbraw/zinc/75/32/40/646753240.db2.gz DJSDIGRXLDDGIX-GAIPPQHRSA-N 2 2 264.344 2.420 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863547072 646754122 /nfs/dbraw/zinc/75/41/22/646754122.db2.gz OQYVRJZHOKMKHC-SDDRHHMPSA-N 2 2 264.369 2.192 20 10 CECDLP COc1cc(O)c(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1OC ZINC000873216819 649594224 /nfs/dbraw/zinc/59/42/24/649594224.db2.gz YLIQOMFNRNUENF-ZDUSSCGKSA-N 2 2 294.395 2.113 20 10 CECDLP COc1cc(O)c(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1OC ZINC000873216819 649594226 /nfs/dbraw/zinc/59/42/26/649594226.db2.gz YLIQOMFNRNUENF-ZDUSSCGKSA-N 2 2 294.395 2.113 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228360 649599085 /nfs/dbraw/zinc/59/90/85/649599085.db2.gz DCLDXVDNYXWEOI-HOTGVXAUSA-N 2 2 259.397 2.127 20 10 CECDLP Oc1cccc(Br)c1C[NH2+]CCn1cc[nH+]c1 ZINC000706809030 809855840 /nfs/dbraw/zinc/85/58/40/809855840.db2.gz GZVXHFRGAIXKPC-UHFFFAOYSA-N 2 2 296.168 2.141 20 10 CECDLP CCc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000691516446 811990948 /nfs/dbraw/zinc/99/09/48/811990948.db2.gz XVAKJJCOOORHBQ-LBPRGKRZSA-N 2 2 259.353 2.329 20 10 CECDLP COc1ccc(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000179902855 368357384 /nfs/dbraw/zinc/35/73/84/368357384.db2.gz DONCTAQMBMJWEJ-UHFFFAOYSA-N 2 2 287.363 2.434 20 10 CECDLP CC(C)[NH2+]C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180030018 368363200 /nfs/dbraw/zinc/36/32/00/368363200.db2.gz DLHZNJTVGBGCSK-UHFFFAOYSA-N 2 2 266.360 2.494 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216262 328716812 /nfs/dbraw/zinc/71/68/12/328716812.db2.gz PAIANCSNHFWMLZ-YGRLFVJLSA-N 2 2 264.344 2.467 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000083551200 526362324 /nfs/dbraw/zinc/36/23/24/526362324.db2.gz TYJSELLZHWOLEM-UHFFFAOYSA-N 2 2 265.744 2.422 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902449055 634672533 /nfs/dbraw/zinc/67/25/33/634672533.db2.gz LKJKSMMCIKKLAY-HZMBPMFUSA-N 2 2 264.369 2.049 20 10 CECDLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000843127569 631749342 /nfs/dbraw/zinc/74/93/42/631749342.db2.gz DZBQPCRNYCRSFR-HTQZYQBOSA-N 2 2 260.740 2.400 20 10 CECDLP Oc1cccc(Cl)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865100 633746999 /nfs/dbraw/zinc/74/69/99/633746999.db2.gz GWNBFVKLKMIYLM-UHFFFAOYSA-N 2 2 266.772 2.374 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000817949869 633795327 /nfs/dbraw/zinc/79/53/27/633795327.db2.gz OMHAWZBAXBPGHZ-RYUDHWBXSA-N 2 2 264.369 2.194 20 10 CECDLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(Cl)ccc1O ZINC000817954555 633799009 /nfs/dbraw/zinc/79/90/09/633799009.db2.gz YQGRBIPXGUKOKJ-SECBINFHSA-N 2 2 254.761 2.448 20 10 CECDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1O ZINC000824564304 635452593 /nfs/dbraw/zinc/45/25/93/635452593.db2.gz IKGCEUZATPBFRM-ZBFHGGJFSA-N 2 2 292.423 2.280 20 10 CECDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1O ZINC000824564304 635452598 /nfs/dbraw/zinc/45/25/98/635452598.db2.gz IKGCEUZATPBFRM-ZBFHGGJFSA-N 2 2 292.423 2.280 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000841064424 639639306 /nfs/dbraw/zinc/63/93/06/639639306.db2.gz QGXHUGDSUQVUQS-SKDRFNHKSA-N 2 2 299.212 2.242 20 10 CECDLP CC1([NH2+]Cc2cccc(Cl)c2O)CC[NH2+]CC1 ZINC000841063981 639639865 /nfs/dbraw/zinc/63/98/65/639639865.db2.gz DDVCDKIVUOMTFT-UHFFFAOYSA-N 2 2 254.761 2.277 20 10 CECDLP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c(O)c1 ZINC000841085461 639650546 /nfs/dbraw/zinc/65/05/46/639650546.db2.gz DDWIQEDWDPRAFO-AWEZNQCLSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)C[NH3+] ZINC000841090572 639652886 /nfs/dbraw/zinc/65/28/86/639652886.db2.gz LBWDTDYKRLAMSR-QMTHXVAHSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)C[NH3+] ZINC000841090572 639652894 /nfs/dbraw/zinc/65/28/94/639652894.db2.gz LBWDTDYKRLAMSR-QMTHXVAHSA-N 2 2 268.788 2.462 20 10 CECDLP Oc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120541 640289601 /nfs/dbraw/zinc/28/96/01/640289601.db2.gz PBAYYRJCZIBYTP-CQSZACIVSA-N 2 2 266.772 2.231 20 10 CECDLP Oc1c(Cl)cccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120541 640289609 /nfs/dbraw/zinc/28/96/09/640289609.db2.gz PBAYYRJCZIBYTP-CQSZACIVSA-N 2 2 266.772 2.231 20 10 CECDLP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000843128548 640295503 /nfs/dbraw/zinc/29/55/03/640295503.db2.gz MJJHMBDSBZMSRG-INIZCTEOSA-N 2 2 272.392 2.386 20 10 CECDLP COCC[NH2+]C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000844901009 640860598 /nfs/dbraw/zinc/86/05/98/640860598.db2.gz TXEQXMIUCAVFHF-UHFFFAOYSA-N 2 2 298.814 2.246 20 10 CECDLP CCc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000848903884 642181902 /nfs/dbraw/zinc/18/19/02/642181902.db2.gz GGBXLCTXBHVSQW-CQSZACIVSA-N 2 2 271.364 2.256 20 10 CECDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1O ZINC000848919391 642191830 /nfs/dbraw/zinc/19/18/30/642191830.db2.gz KHFYGQDKJAMMIR-ZFWWWQNUSA-N 2 2 290.407 2.296 20 10 CECDLP CCOCc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OC ZINC000853245972 643720929 /nfs/dbraw/zinc/72/09/29/643720929.db2.gz FKCBUDSYXMLOEI-UHFFFAOYSA-N 2 2 290.407 2.073 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000863483859 646739769 /nfs/dbraw/zinc/73/97/69/646739769.db2.gz QJZGMYPCDHKJAR-NWDGAFQWSA-N 2 2 299.212 2.385 20 10 CECDLP CC[N@H+](CC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000863644668 646776204 /nfs/dbraw/zinc/77/62/04/646776204.db2.gz FRFCNQJOXKWXBB-UHFFFAOYSA-N 2 2 261.413 2.458 20 10 CECDLP CC[N@@H+](CC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000863644668 646776207 /nfs/dbraw/zinc/77/62/07/646776207.db2.gz FRFCNQJOXKWXBB-UHFFFAOYSA-N 2 2 261.413 2.458 20 10 CECDLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000775501297 646960638 /nfs/dbraw/zinc/96/06/38/646960638.db2.gz GCMIVIQYMFUXGC-AAEUAGOBSA-N 2 2 286.803 2.009 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778189106 647207422 /nfs/dbraw/zinc/20/74/22/647207422.db2.gz NEASZYWTJNFZFM-CQSZACIVSA-N 2 2 270.380 2.054 20 10 CECDLP Cc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000779192199 647295671 /nfs/dbraw/zinc/29/56/71/647295671.db2.gz LKGWVIJIQQIZAJ-ZDUSSCGKSA-N 2 2 257.337 2.002 20 10 CECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC=C(F)C3)cc2)CC1 ZINC000780895518 647478201 /nfs/dbraw/zinc/47/82/01/647478201.db2.gz WUNOJCDVBKVMOP-UHFFFAOYSA-N 2 2 289.398 2.498 20 10 CECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC=C(F)C3)cc2)CC1 ZINC000780895518 647478203 /nfs/dbraw/zinc/47/82/03/647478203.db2.gz WUNOJCDVBKVMOP-UHFFFAOYSA-N 2 2 289.398 2.498 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001120269143 815209572 /nfs/dbraw/zinc/20/95/72/815209572.db2.gz NHQWYEKXCGCBOI-KRWDZBQOSA-N 2 2 284.407 2.124 20 10 CECDLP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1O)[NH+](C)C ZINC000708514886 809943812 /nfs/dbraw/zinc/94/38/12/809943812.db2.gz MTBGHKZOJSMKRV-VIFPVBQESA-N 2 2 258.312 2.100 20 10 CECDLP CCC[NH+]1C[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137840403 815695725 /nfs/dbraw/zinc/69/57/25/815695725.db2.gz ZJJXQPNARCSLPU-STQMWFEESA-N 2 2 278.371 2.305 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1 ZINC001140623706 816306291 /nfs/dbraw/zinc/30/62/91/816306291.db2.gz QRJMNBCNKFCQAD-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1 ZINC001140623706 816306298 /nfs/dbraw/zinc/30/62/98/816306298.db2.gz QRJMNBCNKFCQAD-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1 ZINC001140623706 816306306 /nfs/dbraw/zinc/30/63/06/816306306.db2.gz QRJMNBCNKFCQAD-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1 ZINC001140623706 816306314 /nfs/dbraw/zinc/30/63/14/816306314.db2.gz QRJMNBCNKFCQAD-HIFRSBDPSA-N 2 2 260.381 2.227 20 10 CECDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259468 290232370 /nfs/dbraw/zinc/23/23/70/290232370.db2.gz AMCHDPVRHSUXIO-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259468 290232372 /nfs/dbraw/zinc/23/23/72/290232372.db2.gz AMCHDPVRHSUXIO-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259468 290232375 /nfs/dbraw/zinc/23/23/75/290232375.db2.gz AMCHDPVRHSUXIO-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259468 290232378 /nfs/dbraw/zinc/23/23/78/290232378.db2.gz AMCHDPVRHSUXIO-FZMZJTMJSA-N 2 2 264.344 2.057 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000228671123 329059112 /nfs/dbraw/zinc/05/91/12/329059112.db2.gz DSTBXGCVRJVSCV-SNVBAGLBSA-N 2 2 295.770 2.429 20 10 CECDLP CCCN(Cc1c[nH+]cn1C)c1ccc(C[NH3+])cc1 ZINC000194979615 331101748 /nfs/dbraw/zinc/10/17/48/331101748.db2.gz ACKNVCWMPYYDTJ-UHFFFAOYSA-N 2 2 258.369 2.295 20 10 CECDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005046 333292269 /nfs/dbraw/zinc/29/22/69/333292269.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 2 2 278.371 2.447 20 10 CECDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005046 333292270 /nfs/dbraw/zinc/29/22/70/333292270.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005046 333292272 /nfs/dbraw/zinc/29/22/72/333292272.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000228005046 333292274 /nfs/dbraw/zinc/29/22/74/333292274.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 2 2 278.371 2.447 20 10 CECDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518950 523836065 /nfs/dbraw/zinc/83/60/65/523836065.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 2 2 278.371 2.449 20 10 CECDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518950 523836074 /nfs/dbraw/zinc/83/60/74/523836074.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 2 2 278.371 2.449 20 10 CECDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518950 523836078 /nfs/dbraw/zinc/83/60/78/523836078.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 2 2 278.371 2.449 20 10 CECDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518950 523836082 /nfs/dbraw/zinc/83/60/82/523836082.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 2 2 278.371 2.449 20 10 CECDLP CCC[NH+]1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896636509 630620551 /nfs/dbraw/zinc/62/05/51/630620551.db2.gz DPTGHTQMDAOGJC-UHFFFAOYSA-N 2 2 266.360 2.495 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCSC2)cc1 ZINC000841044557 632347993 /nfs/dbraw/zinc/34/79/93/632347993.db2.gz CZILCHZNYSYMBF-ZFWWWQNUSA-N 2 2 279.453 2.238 20 10 CECDLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817937572 633787779 /nfs/dbraw/zinc/78/77/79/633787779.db2.gz XUVORNXIDFCMJQ-QMMMGPOBSA-N 2 2 256.296 2.073 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817940428 633788719 /nfs/dbraw/zinc/78/87/19/633788719.db2.gz GEWXFPVDAFAPBK-UAGQMJEPSA-N 2 2 291.439 2.157 20 10 CECDLP C[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817965350 633805964 /nfs/dbraw/zinc/80/59/64/633805964.db2.gz PFIFDOLSEGHTRU-QMMMGPOBSA-N 2 2 274.286 2.281 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970793 633813656 /nfs/dbraw/zinc/81/36/56/633813656.db2.gz FGUSPROIMKEUEN-VXGBXAGGSA-N 2 2 297.830 2.174 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)cc(F)c1O ZINC000817982707 633825718 /nfs/dbraw/zinc/82/57/18/633825718.db2.gz VOVRPENVPIYNIG-QXEWZRGKSA-N 2 2 270.323 2.448 20 10 CECDLP c1cc2c(cc1C[NH2+][C@@H]1CCCC[NH2+]C1)CCCO2 ZINC000904358551 635590635 /nfs/dbraw/zinc/59/06/35/635590635.db2.gz PGRMYUMYVCACPW-OAHLLOKOSA-N 2 2 260.381 2.243 20 10 CECDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000904463235 635635194 /nfs/dbraw/zinc/63/51/94/635635194.db2.gz OJQXRAQWNUCGCP-LBPRGKRZSA-N 2 2 254.761 2.133 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841027141 639620592 /nfs/dbraw/zinc/62/05/92/639620592.db2.gz XLFNLIBOOMBALH-WMLDXEAASA-N 2 2 273.424 2.245 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841027141 639620595 /nfs/dbraw/zinc/62/05/95/639620595.db2.gz XLFNLIBOOMBALH-WMLDXEAASA-N 2 2 273.424 2.245 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000841030398 639622501 /nfs/dbraw/zinc/62/25/01/639622501.db2.gz HKMKIBBUKSQKLB-UHFFFAOYSA-N 2 2 287.201 2.290 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC[NH2+]1 ZINC000841062835 639638339 /nfs/dbraw/zinc/63/83/39/639638339.db2.gz YHLORBPXJAURFS-GZMMTYOYSA-N 2 2 272.751 2.415 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1F ZINC000841085975 639652294 /nfs/dbraw/zinc/65/22/94/639652294.db2.gz JZMNKCHEGYGZRL-CQSZACIVSA-N 2 2 265.376 2.122 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000841091474 639654682 /nfs/dbraw/zinc/65/46/82/639654682.db2.gz YRPUPVYVEAZQMA-KJPDOMRESA-N 2 2 273.424 2.498 20 10 CECDLP COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000843044720 640250146 /nfs/dbraw/zinc/25/01/46/640250146.db2.gz GHEHQPMUJDQNGN-YPMHNXCESA-N 2 2 294.395 2.111 20 10 CECDLP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000843044720 640250150 /nfs/dbraw/zinc/25/01/50/640250150.db2.gz GHEHQPMUJDQNGN-YPMHNXCESA-N 2 2 294.395 2.111 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046346 640250873 /nfs/dbraw/zinc/25/08/73/640250873.db2.gz XCUASCRFQZALRG-IUODEOHRSA-N 2 2 278.371 2.495 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046346 640250878 /nfs/dbraw/zinc/25/08/78/640250878.db2.gz XCUASCRFQZALRG-IUODEOHRSA-N 2 2 278.371 2.495 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000843051756 640254692 /nfs/dbraw/zinc/25/46/92/640254692.db2.gz LJUHNVOYJRBRIY-WFASDCNBSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000843051756 640254696 /nfs/dbraw/zinc/25/46/96/640254696.db2.gz LJUHNVOYJRBRIY-WFASDCNBSA-N 2 2 278.396 2.350 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057672 640259829 /nfs/dbraw/zinc/25/98/29/640259829.db2.gz QNWRQSALDOKRMO-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057672 640259833 /nfs/dbraw/zinc/25/98/33/640259833.db2.gz QNWRQSALDOKRMO-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817961823 642183312 /nfs/dbraw/zinc/18/33/12/642183312.db2.gz DDNRCXJZQOCKKC-NSHDSACASA-N 2 2 252.358 2.051 20 10 CECDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921594970 642256727 /nfs/dbraw/zinc/25/67/27/642256727.db2.gz YACXRVDLMIYANG-HNNXBMFYSA-N 2 2 260.381 2.195 20 10 CECDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921594970 642256728 /nfs/dbraw/zinc/25/67/28/642256728.db2.gz YACXRVDLMIYANG-HNNXBMFYSA-N 2 2 260.381 2.195 20 10 CECDLP CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863484950 646740579 /nfs/dbraw/zinc/74/05/79/646740579.db2.gz QNNIHDOOAINSTN-AAEUAGOBSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546103 646753079 /nfs/dbraw/zinc/75/30/79/646753079.db2.gz DJSDIGRXLDDGIX-RBLKWDMZSA-N 2 2 264.344 2.420 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650590 646777259 /nfs/dbraw/zinc/77/72/59/646777259.db2.gz WASOWMFZVSCUTO-ATQQARJTSA-N 2 2 273.424 2.496 20 10 CECDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Cl)ccc1O ZINC000775501300 646960517 /nfs/dbraw/zinc/96/05/17/646960517.db2.gz GCMIVIQYMFUXGC-YPMHNXCESA-N 2 2 286.803 2.009 20 10 CECDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555134 646964654 /nfs/dbraw/zinc/96/46/54/646964654.db2.gz JSIPDESVBVVJEE-HIFRSBDPSA-N 2 2 298.814 2.153 20 10 CECDLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555134 646964658 /nfs/dbraw/zinc/96/46/58/646964658.db2.gz JSIPDESVBVVJEE-HIFRSBDPSA-N 2 2 298.814 2.153 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1O ZINC000779067756 647285499 /nfs/dbraw/zinc/28/54/99/647285499.db2.gz ZOEQBHSIFMLRNV-ZYHUDNBSSA-N 2 2 275.327 2.393 20 10 CECDLP CCCOc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1C ZINC000873094420 649557882 /nfs/dbraw/zinc/55/78/82/649557882.db2.gz IFORINOWPCEWQK-QGZVFWFLSA-N 2 2 294.439 2.186 20 10 CECDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001120371551 815217589 /nfs/dbraw/zinc/21/75/89/815217589.db2.gz IWIGOVFHAQQAQF-INIZCTEOSA-N 2 2 273.424 2.374 20 10 CECDLP C[C@H](CC[NH2+]Cc1c(O)cccc1Cl)[NH+](C)C ZINC000697838343 814652814 /nfs/dbraw/zinc/65/28/14/814652814.db2.gz PXZVTRBFVOXTSS-SNVBAGLBSA-N 2 2 256.777 2.475 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272267699 373396741 /nfs/dbraw/zinc/39/67/41/373396741.db2.gz BHWSAPQRFQTZKG-DOTOQJQBSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272267699 373396747 /nfs/dbraw/zinc/39/67/47/373396747.db2.gz BHWSAPQRFQTZKG-DOTOQJQBSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272267699 373396756 /nfs/dbraw/zinc/39/67/56/373396756.db2.gz BHWSAPQRFQTZKG-DOTOQJQBSA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272267699 373396759 /nfs/dbraw/zinc/39/67/59/373396759.db2.gz BHWSAPQRFQTZKG-DOTOQJQBSA-N 2 2 273.424 2.279 20 10 CECDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000292883685 377331285 /nfs/dbraw/zinc/33/12/85/377331285.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 2 2 264.344 2.059 20 10 CECDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000292883685 377331289 /nfs/dbraw/zinc/33/12/89/377331289.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 2 2 264.344 2.059 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179322 380195945 /nfs/dbraw/zinc/19/59/45/380195945.db2.gz SURKQHMVYHOVJO-CYBMUJFWSA-N 2 2 266.772 2.420 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC000530176608 380196191 /nfs/dbraw/zinc/19/61/91/380196191.db2.gz CPXTYNYPOFVBRU-OAHLLOKOSA-N 2 2 276.380 2.165 20 10 CECDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1O ZINC000185142713 262043458 /nfs/dbraw/zinc/04/34/58/262043458.db2.gz HOVKWAVECDYEBU-CMPLNLGQSA-N 2 2 252.333 2.276 20 10 CECDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259470 290158208 /nfs/dbraw/zinc/15/82/08/290158208.db2.gz AMCHDPVRHSUXIO-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259470 290158211 /nfs/dbraw/zinc/15/82/11/290158211.db2.gz AMCHDPVRHSUXIO-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259470 290158214 /nfs/dbraw/zinc/15/82/14/290158214.db2.gz AMCHDPVRHSUXIO-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3O)[C@H]2C1 ZINC000272259470 290158217 /nfs/dbraw/zinc/15/82/17/290158217.db2.gz AMCHDPVRHSUXIO-RISCZKNCSA-N 2 2 264.344 2.057 20 10 CECDLP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530177496 298045622 /nfs/dbraw/zinc/04/56/22/298045622.db2.gz JHVYZJPJEXDNKA-AWEZNQCLSA-N 2 2 276.380 2.165 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530177498 298045726 /nfs/dbraw/zinc/04/57/26/298045726.db2.gz JHVYZJPJEXDNKA-CQSZACIVSA-N 2 2 276.380 2.165 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530214226 333528297 /nfs/dbraw/zinc/52/82/97/333528297.db2.gz CKXUUNZAUCCEMF-IAQYHMDHSA-N 2 2 276.380 2.336 20 10 CECDLP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1O ZINC000020506275 521361785 /nfs/dbraw/zinc/36/17/85/521361785.db2.gz QQHGLXLYTKLDNY-UHFFFAOYSA-N 2 2 275.352 2.167 20 10 CECDLP CN(C)c1ccc(C2=CC[N@H+](Cc3cc[nH+]c(N)c3)C2)cc1 ZINC000365852536 522157155 /nfs/dbraw/zinc/15/71/55/522157155.db2.gz KNTUNXALSWVZME-UHFFFAOYSA-N 2 2 294.402 2.459 20 10 CECDLP CN(C)c1ccc(C2=CC[N@@H+](Cc3cc[nH+]c(N)c3)C2)cc1 ZINC000365852536 522157164 /nfs/dbraw/zinc/15/71/64/522157164.db2.gz KNTUNXALSWVZME-UHFFFAOYSA-N 2 2 294.402 2.459 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902472492 634664626 /nfs/dbraw/zinc/66/46/26/634664626.db2.gz BAZURWOLPHESJN-RUAUBTSSSA-N 2 2 259.397 2.296 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CC[N@@H+]1C ZINC000896637390 630620869 /nfs/dbraw/zinc/62/08/69/630620869.db2.gz JPWRPQLMFIETTO-QWRGUYRKSA-N 2 2 252.333 2.104 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2F)CC[N@H+]1C ZINC000896637390 630620871 /nfs/dbraw/zinc/62/08/71/630620871.db2.gz JPWRPQLMFIETTO-QWRGUYRKSA-N 2 2 252.333 2.104 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000809752877 632140539 /nfs/dbraw/zinc/14/05/39/632140539.db2.gz JZOCHWFWZPYBMY-UHFFFAOYSA-N 2 2 275.352 2.119 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000809752877 632140541 /nfs/dbraw/zinc/14/05/41/632140541.db2.gz JZOCHWFWZPYBMY-UHFFFAOYSA-N 2 2 275.352 2.119 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057593 632360526 /nfs/dbraw/zinc/36/05/26/632360526.db2.gz AKYCVDOINXCSKC-ZANVPECISA-N 2 2 268.788 2.442 20 10 CECDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000841059005 632361522 /nfs/dbraw/zinc/36/15/22/632361522.db2.gz IYMWOIFCGALOKD-YOEHRIQHSA-N 2 2 273.424 2.374 20 10 CECDLP C[NH2+]CC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000817952818 633792121 /nfs/dbraw/zinc/79/21/21/633792121.db2.gz ULOBYKJNWNHBCI-SECBINFHSA-N 2 2 287.201 2.333 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Br)ccc1O ZINC000817945028 633792673 /nfs/dbraw/zinc/79/26/73/633792673.db2.gz RPVJAUBGMIGLKJ-WPRPVWTQSA-N 2 2 285.185 2.167 20 10 CECDLP COc1ccc2c(c1)CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000823578830 635218726 /nfs/dbraw/zinc/21/87/26/635218726.db2.gz HLVQOKXMSNQZRM-UHFFFAOYSA-N 2 2 260.381 2.447 20 10 CECDLP COc1ccc2c(c1)CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000823578830 635218730 /nfs/dbraw/zinc/21/87/30/635218730.db2.gz HLVQOKXMSNQZRM-UHFFFAOYSA-N 2 2 260.381 2.447 20 10 CECDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834607292 637888617 /nfs/dbraw/zinc/88/86/17/637888617.db2.gz SOAICJUTTUJCBC-OCCSQVGLSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834607292 637888621 /nfs/dbraw/zinc/88/86/21/637888621.db2.gz SOAICJUTTUJCBC-OCCSQVGLSA-N 2 2 260.381 2.453 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1O ZINC000841043217 639629727 /nfs/dbraw/zinc/62/97/27/639629727.db2.gz PZYDALFTHHJCLX-LBPRGKRZSA-N 2 2 254.761 2.196 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059173 639636960 /nfs/dbraw/zinc/63/69/60/639636960.db2.gz LZRFHCVFRABZOR-JOYOIKCWSA-N 2 2 284.787 2.142 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841065570 639640543 /nfs/dbraw/zinc/64/05/43/639640543.db2.gz QORIYQIMYJUYFN-CABZTGNLSA-N 2 2 299.212 2.385 20 10 CECDLP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000841085053 639649520 /nfs/dbraw/zinc/64/95/20/639649520.db2.gz SVYIYKRXSMRIKO-MWLCHTKSSA-N 2 2 299.212 2.372 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841090813 639653420 /nfs/dbraw/zinc/65/34/20/639653420.db2.gz RAJLEGHELAMDQM-OAHLLOKOSA-N 2 2 261.413 2.293 20 10 CECDLP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1cc[nH+]c1 ZINC000062254341 639741108 /nfs/dbraw/zinc/74/11/08/639741108.db2.gz NWRUFRYXZCJJFC-ZDUSSCGKSA-N 2 2 271.364 2.244 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000842478597 640077658 /nfs/dbraw/zinc/07/76/58/640077658.db2.gz LDCOACARPABGLJ-GXFFZTMASA-N 2 2 294.370 2.151 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000842478597 640077660 /nfs/dbraw/zinc/07/76/60/640077660.db2.gz LDCOACARPABGLJ-GXFFZTMASA-N 2 2 294.370 2.151 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000843056123 640258301 /nfs/dbraw/zinc/25/83/01/640258301.db2.gz TXYUCDBLRAUHEC-MRXNPFEDSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000843056123 640258306 /nfs/dbraw/zinc/25/83/06/640258306.db2.gz TXYUCDBLRAUHEC-MRXNPFEDSA-N 2 2 261.413 2.245 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000843128906 640295539 /nfs/dbraw/zinc/29/55/39/640295539.db2.gz YYBLETVZXCMMJT-ZFWWWQNUSA-N 2 2 277.387 2.076 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000843128906 640295545 /nfs/dbraw/zinc/29/55/45/640295545.db2.gz YYBLETVZXCMMJT-ZFWWWQNUSA-N 2 2 277.387 2.076 20 10 CECDLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000843129935 640296308 /nfs/dbraw/zinc/29/63/08/640296308.db2.gz UXUMSKDFABPWLG-IUCAKERBSA-N 2 2 287.201 2.370 20 10 CECDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000844221074 640635752 /nfs/dbraw/zinc/63/57/52/640635752.db2.gz SIPLYYZMZWYJKL-CQSZACIVSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000844221074 640635754 /nfs/dbraw/zinc/63/57/54/640635754.db2.gz SIPLYYZMZWYJKL-CQSZACIVSA-N 2 2 261.413 2.456 20 10 CECDLP CCC[N@H+](Cc1cccc(OCC)c1O)[C@@H]1CC[NH2+]C1 ZINC000071314506 641739744 /nfs/dbraw/zinc/73/97/44/641739744.db2.gz CNMHBGQROBBRCM-CQSZACIVSA-N 2 2 278.396 2.365 20 10 CECDLP CCC[N@@H+](Cc1cccc(OCC)c1O)[C@@H]1CC[NH2+]C1 ZINC000071314506 641739745 /nfs/dbraw/zinc/73/97/45/641739745.db2.gz CNMHBGQROBBRCM-CQSZACIVSA-N 2 2 278.396 2.365 20 10 CECDLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1N(C)C ZINC000923282738 643638386 /nfs/dbraw/zinc/63/83/86/643638386.db2.gz XEOUMITXXOEPGJ-OAHLLOKOSA-N 2 2 261.413 2.374 20 10 CECDLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1N(C)C ZINC000923282738 643638388 /nfs/dbraw/zinc/63/83/88/643638388.db2.gz XEOUMITXXOEPGJ-OAHLLOKOSA-N 2 2 261.413 2.374 20 10 CECDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858116633 645066833 /nfs/dbraw/zinc/06/68/33/645066833.db2.gz UCORGJUQPBVUCO-NSHDSACASA-N 2 2 285.382 2.461 20 10 CECDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000863545938 646753076 /nfs/dbraw/zinc/75/30/76/646753076.db2.gz BSKMDTSUETVQDL-IQJOONFLSA-N 2 2 250.317 2.031 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1[NH3+] ZINC001206070661 812790289 /nfs/dbraw/zinc/79/02/89/812790289.db2.gz OWZSYSPYTMGDSU-PSASIEDQSA-N 2 2 290.285 2.070 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C[C@H]1[NH3+] ZINC001206070661 812790295 /nfs/dbraw/zinc/79/02/95/812790295.db2.gz OWZSYSPYTMGDSU-PSASIEDQSA-N 2 2 290.285 2.070 20 10 CECDLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(F)c1O ZINC000191181524 369688016 /nfs/dbraw/zinc/68/80/16/369688016.db2.gz GTTGTFSAYUBDTA-SECBINFHSA-N 2 2 258.312 2.273 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1O ZINC000368103787 373219817 /nfs/dbraw/zinc/21/98/17/373219817.db2.gz YQDCMIRDHZZZIN-MWLCHTKSSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1O ZINC000368103787 373219819 /nfs/dbraw/zinc/21/98/19/373219819.db2.gz YQDCMIRDHZZZIN-MWLCHTKSSA-N 2 2 275.327 2.463 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000272661924 373604575 /nfs/dbraw/zinc/60/45/75/373604575.db2.gz ROGNXQDOMWYEJP-PBHICJAKSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1F ZINC000272661924 373604581 /nfs/dbraw/zinc/60/45/81/373604581.db2.gz ROGNXQDOMWYEJP-PBHICJAKSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1F ZINC000272661924 373604589 /nfs/dbraw/zinc/60/45/89/373604589.db2.gz ROGNXQDOMWYEJP-PBHICJAKSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1F ZINC000272661924 373604595 /nfs/dbraw/zinc/60/45/95/373604595.db2.gz ROGNXQDOMWYEJP-PBHICJAKSA-N 2 2 291.414 2.418 20 10 CECDLP CCOc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272700950 373620698 /nfs/dbraw/zinc/62/06/98/373620698.db2.gz YQMGXUFWANMAGS-DZGCQCFKSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1O ZINC000272700950 373620708 /nfs/dbraw/zinc/62/07/08/373620708.db2.gz YQMGXUFWANMAGS-DZGCQCFKSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1O ZINC000272700950 373620712 /nfs/dbraw/zinc/62/07/12/373620712.db2.gz YQMGXUFWANMAGS-DZGCQCFKSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1O ZINC000272700950 373620719 /nfs/dbraw/zinc/62/07/19/373620719.db2.gz YQMGXUFWANMAGS-DZGCQCFKSA-N 2 2 290.407 2.317 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911869 /nfs/dbraw/zinc/91/18/69/373911869.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 2 2 290.382 2.447 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911875 /nfs/dbraw/zinc/91/18/75/373911875.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 2 2 290.382 2.447 20 10 CECDLP Cc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290363288 524377328 /nfs/dbraw/zinc/37/73/28/524377328.db2.gz GWYGOQOYKKBZCO-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP Cc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290363288 524377335 /nfs/dbraw/zinc/37/73/35/524377335.db2.gz GWYGOQOYKKBZCO-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(F)ccc1O ZINC000094617559 525602390 /nfs/dbraw/zinc/60/23/90/525602390.db2.gz GNYIBNMUYZJYDL-WDEREUQCSA-N 2 2 263.316 2.467 20 10 CECDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926959249 632386344 /nfs/dbraw/zinc/38/63/44/632386344.db2.gz AOUJNJBYVSBQHB-YOEHRIQHSA-N 2 2 293.455 2.370 20 10 CECDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000817902850 633764107 /nfs/dbraw/zinc/76/41/07/633764107.db2.gz ZKQSRGFBQONGEZ-WFASDCNBSA-N 2 2 260.381 2.242 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Br)cc1O ZINC000817944901 633792261 /nfs/dbraw/zinc/79/22/61/633792261.db2.gz OSXWHUNMVTXRJR-SCZZXKLOSA-N 2 2 285.185 2.167 20 10 CECDLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000817965505 633806719 /nfs/dbraw/zinc/80/67/19/633806719.db2.gz WEFILLARHKKTLX-ZDUSSCGKSA-N 2 2 288.391 2.432 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1O ZINC000817982977 633827405 /nfs/dbraw/zinc/82/74/05/633827405.db2.gz XEXHYKCQMOBKFN-FZMZJTMJSA-N 2 2 298.814 2.465 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000904462587 635635770 /nfs/dbraw/zinc/63/57/70/635635770.db2.gz WXIJCMLUMWHSMI-QZTJIDSGSA-N 2 2 281.403 2.467 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000835038922 638033911 /nfs/dbraw/zinc/03/39/11/638033911.db2.gz ZQHWQBKPEHHXSG-UKINESCASA-N 2 2 273.424 2.450 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000835038922 638033915 /nfs/dbraw/zinc/03/39/15/638033915.db2.gz ZQHWQBKPEHHXSG-UKINESCASA-N 2 2 273.424 2.450 20 10 CECDLP Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032551 639623404 /nfs/dbraw/zinc/62/34/04/639623404.db2.gz GSLKQXCSXQVRHN-SNVBAGLBSA-N 2 2 299.212 2.244 20 10 CECDLP CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000841035268 639627473 /nfs/dbraw/zinc/62/74/73/639627473.db2.gz JLRMFPCALQHVDY-OAHLLOKOSA-N 2 2 261.413 2.374 20 10 CECDLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045918 639631260 /nfs/dbraw/zinc/63/12/60/639631260.db2.gz SQQATQOLHWBISW-NVXWUHKLSA-N 2 2 293.455 2.403 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000841059000 639637173 /nfs/dbraw/zinc/63/71/73/639637173.db2.gz IXQVBXQAHALBCQ-CZUORRHYSA-N 2 2 292.423 2.319 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CC[NH2+]1 ZINC000841061544 639638351 /nfs/dbraw/zinc/63/83/51/639638351.db2.gz JYCXQJKCLMUKCL-ONGXEEELSA-N 2 2 299.212 2.385 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000841077073 639647484 /nfs/dbraw/zinc/64/74/84/639647484.db2.gz YDHXWYIZBWMPLZ-IUCAKERBSA-N 2 2 287.201 2.288 20 10 CECDLP COc1cc(Cl)cc(C[N@H+](C)CCC[NH+](C)C)c1O ZINC000229120909 639677346 /nfs/dbraw/zinc/67/73/46/639677346.db2.gz DEGDCSSOAUKCNL-UHFFFAOYSA-N 2 2 286.803 2.438 20 10 CECDLP COc1cc(Cl)cc(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC000229120909 639677350 /nfs/dbraw/zinc/67/73/50/639677350.db2.gz DEGDCSSOAUKCNL-UHFFFAOYSA-N 2 2 286.803 2.438 20 10 CECDLP CC[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843052742 640256710 /nfs/dbraw/zinc/25/67/10/640256710.db2.gz SHKFXQWVRZXZSE-GXFFZTMASA-N 2 2 252.333 2.091 20 10 CECDLP CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843052742 640256713 /nfs/dbraw/zinc/25/67/13/640256713.db2.gz SHKFXQWVRZXZSE-GXFFZTMASA-N 2 2 252.333 2.091 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843058858 640261759 /nfs/dbraw/zinc/26/17/59/640261759.db2.gz ZPQHOUWNHZZWPV-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843058858 640261764 /nfs/dbraw/zinc/26/17/64/640261764.db2.gz ZPQHOUWNHZZWPV-DTWKUNHWSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000843129933 640296528 /nfs/dbraw/zinc/29/65/28/640296528.db2.gz UXUMSKDFABPWLG-BDAKNGLRSA-N 2 2 287.201 2.370 20 10 CECDLP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000844903878 640861272 /nfs/dbraw/zinc/86/12/72/640861272.db2.gz QRXFQTIJHZYQBI-UHFFFAOYSA-N 2 2 272.751 2.403 20 10 CECDLP Cc1ccc(O)c(C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c1 ZINC000922478360 643088484 /nfs/dbraw/zinc/08/84/84/643088484.db2.gz MJLBKBRIFJNDOZ-UHFFFAOYSA-N 2 2 271.364 2.451 20 10 CECDLP CCO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)C[NH+](C)C ZINC000922757501 643247603 /nfs/dbraw/zinc/24/76/03/643247603.db2.gz HELJTKVCLZUACN-OAHLLOKOSA-N 2 2 280.412 2.065 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000854232787 644019782 /nfs/dbraw/zinc/01/97/82/644019782.db2.gz UENFLBOZJZJWPR-IUCAKERBSA-N 2 2 287.201 2.413 20 10 CECDLP Cc1cc(Br)cc(C[NH+]2CCC([NH3+])CC2)c1O ZINC000843047751 644749761 /nfs/dbraw/zinc/74/97/61/644749761.db2.gz ZQYHXYACBYVCIN-UHFFFAOYSA-N 2 2 299.212 2.386 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000863481516 646739484 /nfs/dbraw/zinc/73/94/84/646739484.db2.gz FYBKEBBZAGTRJQ-OAHLLOKOSA-N 2 2 277.387 2.266 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000863483106 646739757 /nfs/dbraw/zinc/73/97/57/646739757.db2.gz KOVUAGDIOOJDKB-UONOGXRCSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1O ZINC000779067755 647284868 /nfs/dbraw/zinc/28/48/68/647284868.db2.gz ZOEQBHSIFMLRNV-PWSUYJOCSA-N 2 2 275.327 2.393 20 10 CECDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001204800261 806087474 /nfs/dbraw/zinc/08/74/74/806087474.db2.gz APZIZHCGLJUTGP-GFCCVEGCSA-N 2 2 274.286 2.334 20 10 CECDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001204800261 806087484 /nfs/dbraw/zinc/08/74/84/806087484.db2.gz APZIZHCGLJUTGP-GFCCVEGCSA-N 2 2 274.286 2.334 20 10 CECDLP [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001222552637 803900145 /nfs/dbraw/zinc/90/01/45/803900145.db2.gz HIDYOQBLASWBBV-UHFFFAOYSA-N 2 2 290.741 2.448 20 10 CECDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708516473 809944261 /nfs/dbraw/zinc/94/42/61/809944261.db2.gz IRYOSBRJIBZBLR-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708516473 809944266 /nfs/dbraw/zinc/94/42/66/809944266.db2.gz IRYOSBRJIBZBLR-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466150 816262693 /nfs/dbraw/zinc/26/26/93/816262693.db2.gz YXDLTOKSUKRXPL-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466150 816262696 /nfs/dbraw/zinc/26/26/96/816262696.db2.gz YXDLTOKSUKRXPL-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466150 816262700 /nfs/dbraw/zinc/26/27/00/816262700.db2.gz YXDLTOKSUKRXPL-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140466150 816262704 /nfs/dbraw/zinc/26/27/04/816262704.db2.gz YXDLTOKSUKRXPL-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1C ZINC000377769301 539749253 /nfs/dbraw/zinc/74/92/53/539749253.db2.gz AFVQYFPQSHGHCE-ZDUSSCGKSA-N 2 2 271.364 2.374 20 10 CECDLP COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1C ZINC000377769301 539749257 /nfs/dbraw/zinc/74/92/57/539749257.db2.gz AFVQYFPQSHGHCE-ZDUSSCGKSA-N 2 2 271.364 2.374 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293651317 292013997 /nfs/dbraw/zinc/01/39/97/292013997.db2.gz LHVCMJMHDKWDNB-VXGBXAGGSA-N 2 2 294.395 2.027 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1O ZINC000185142675 262043612 /nfs/dbraw/zinc/04/36/12/262043612.db2.gz HOVKWAVECDYEBU-JQWIXIFHSA-N 2 2 252.333 2.276 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000079435158 518287540 /nfs/dbraw/zinc/28/75/40/518287540.db2.gz LUIZXYUNMCOJOV-GFCCVEGCSA-N 2 2 294.370 2.117 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000079435158 518287545 /nfs/dbraw/zinc/28/75/45/518287545.db2.gz LUIZXYUNMCOJOV-GFCCVEGCSA-N 2 2 294.370 2.117 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037157733 524772714 /nfs/dbraw/zinc/77/27/14/524772714.db2.gz IKGIKPQDVNQYCH-RYUDHWBXSA-N 2 2 275.352 2.337 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062747597 524789989 /nfs/dbraw/zinc/78/99/89/524789989.db2.gz SMLHPDHBPGBXCR-MNOVXSKESA-N 2 2 263.316 2.467 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925788124 628828625 /nfs/dbraw/zinc/82/86/25/628828625.db2.gz YJMTTZJCKYNJAA-DAXOMENPSA-N 2 2 261.413 2.401 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033169 631819621 /nfs/dbraw/zinc/81/96/21/631819621.db2.gz OCXFELBSGAJXRS-VIFPVBQESA-N 2 2 272.751 2.274 20 10 CECDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C[NH+](C)C ZINC000926963937 632391527 /nfs/dbraw/zinc/39/15/27/632391527.db2.gz WASSBOXMFXKRAH-UONOGXRCSA-N 2 2 280.412 2.318 20 10 CECDLP COC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000817939520 633788709 /nfs/dbraw/zinc/78/87/09/633788709.db2.gz CAGXBVGVFQIDDP-JKSUJKDBSA-N 2 2 279.428 2.013 20 10 CECDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940887 633789993 /nfs/dbraw/zinc/78/99/93/633789993.db2.gz LWGVLZUMHYQXIA-MPTQWLOMSA-N 2 2 261.413 2.387 20 10 CECDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944427 633790375 /nfs/dbraw/zinc/79/03/75/633790375.db2.gz BSKMDTSUETVQDL-KKZNHRDASA-N 2 2 250.317 2.031 20 10 CECDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817970182 633812872 /nfs/dbraw/zinc/81/28/72/633812872.db2.gz NLPVHLNKXCOHLC-YUMQZZPRSA-N 2 2 273.174 2.153 20 10 CECDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1C ZINC000817976342 633819168 /nfs/dbraw/zinc/81/91/68/633819168.db2.gz KEHHSEADPURNJG-AVGNSLFASA-N 2 2 266.360 2.360 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1O ZINC000817984564 633825931 /nfs/dbraw/zinc/82/59/31/633825931.db2.gz UHYIGKOFENCBQQ-ZYHUDNBSSA-N 2 2 252.333 2.324 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Cl)ccc1O ZINC000817982890 633826976 /nfs/dbraw/zinc/82/69/76/633826976.db2.gz JHFSTQMAOKGLLS-AAEUAGOBSA-N 2 2 284.787 2.075 20 10 CECDLP CCC1([NH3+])CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000903945960 635377652 /nfs/dbraw/zinc/37/76/52/635377652.db2.gz BBBZTEJEGYAALK-UHFFFAOYSA-N 2 2 252.333 2.235 20 10 CECDLP COC[C@@H](CC(C)C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045920 639631235 /nfs/dbraw/zinc/63/12/35/639631235.db2.gz SQQATQOLHWBISW-WBVHZDCISA-N 2 2 293.455 2.403 20 10 CECDLP Cc1cc(O)c(C[NH2+]CC2([NH3+])CCC2)c(Cl)c1 ZINC000841050133 639633513 /nfs/dbraw/zinc/63/35/13/639633513.db2.gz YHBVWRNDMKUMOB-UHFFFAOYSA-N 2 2 254.761 2.325 20 10 CECDLP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000841085051 639649675 /nfs/dbraw/zinc/64/96/75/639649675.db2.gz SVYIYKRXSMRIKO-GXSJLCMTSA-N 2 2 299.212 2.372 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000843043826 640250109 /nfs/dbraw/zinc/25/01/09/640250109.db2.gz JKXMCXAXBJJRGH-HNNXBMFYSA-N 2 2 261.413 2.456 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000843043826 640250112 /nfs/dbraw/zinc/25/01/12/640250112.db2.gz JKXMCXAXBJJRGH-HNNXBMFYSA-N 2 2 261.413 2.456 20 10 CECDLP COc1cccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000846162243 641208345 /nfs/dbraw/zinc/20/83/45/641208345.db2.gz CGFOPBWEZALINY-NWDGAFQWSA-N 2 2 287.363 2.263 20 10 CECDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000846705014 641403262 /nfs/dbraw/zinc/40/32/62/641403262.db2.gz WZOWGWHRAWIQKN-KOLCDFICSA-N 2 2 254.761 2.357 20 10 CECDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1O ZINC000846705014 641403272 /nfs/dbraw/zinc/40/32/72/641403272.db2.gz WZOWGWHRAWIQKN-KOLCDFICSA-N 2 2 254.761 2.357 20 10 CECDLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226780 644859887 /nfs/dbraw/zinc/85/98/87/644859887.db2.gz ZDCRWAFHPONXSD-QMTHXVAHSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226780 644859888 /nfs/dbraw/zinc/85/98/88/644859888.db2.gz ZDCRWAFHPONXSD-QMTHXVAHSA-N 2 2 266.772 2.359 20 10 CECDLP CC[NH+]1CCC([N@H+](C)Cc2c(O)cccc2OC)CC1 ZINC000768233004 646099972 /nfs/dbraw/zinc/09/99/72/646099972.db2.gz HYDMDFCVFVFVSE-UHFFFAOYSA-N 2 2 278.396 2.317 20 10 CECDLP CC[NH+]1CCC([N@@H+](C)Cc2c(O)cccc2OC)CC1 ZINC000768233004 646099975 /nfs/dbraw/zinc/09/99/75/646099975.db2.gz HYDMDFCVFVFVSE-UHFFFAOYSA-N 2 2 278.396 2.317 20 10 CECDLP Cc1cnccc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000863641428 646775203 /nfs/dbraw/zinc/77/52/03/646775203.db2.gz BRPGGGNSUHPVJL-QGZVFWFLSA-N 2 2 284.407 2.246 20 10 CECDLP Cc1cc(O)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000778187975 647206499 /nfs/dbraw/zinc/20/64/99/647206499.db2.gz OXYVPCSNFBAWFB-CQSZACIVSA-N 2 2 271.364 2.310 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000778190569 647207886 /nfs/dbraw/zinc/20/78/86/647207886.db2.gz ZXQOJYIXJYRJNF-CYBMUJFWSA-N 2 2 287.363 2.092 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000779060677 647285000 /nfs/dbraw/zinc/28/50/00/647285000.db2.gz HXZMTXTWBQHKPI-VXGBXAGGSA-N 2 2 257.337 2.254 20 10 CECDLP CCOc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c(O)c1 ZINC000873229746 649601143 /nfs/dbraw/zinc/60/11/43/649601143.db2.gz FMCFARBONPJKCR-CVEARBPZSA-N 2 2 276.380 2.165 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1F ZINC001206156329 815282037 /nfs/dbraw/zinc/28/20/37/815282037.db2.gz QCIQWEWZZVSETI-NWDGAFQWSA-N 2 2 272.751 2.307 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1F ZINC001206156329 815282042 /nfs/dbraw/zinc/28/20/42/815282042.db2.gz QCIQWEWZZVSETI-NWDGAFQWSA-N 2 2 272.751 2.307 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1[NH3+] ZINC001206065481 812649481 /nfs/dbraw/zinc/64/94/81/812649481.db2.gz XSPKKMUVBDYTFE-BXUZGUMPSA-N 2 2 262.397 2.469 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)C[C@H]1[NH3+] ZINC001206065481 812649486 /nfs/dbraw/zinc/64/94/86/812649486.db2.gz XSPKKMUVBDYTFE-BXUZGUMPSA-N 2 2 262.397 2.469 20 10 CECDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137840400 815694678 /nfs/dbraw/zinc/69/46/78/815694678.db2.gz ZJJXQPNARCSLPU-BETUJISGSA-N 2 2 278.371 2.305 20 10 CECDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137840400 815694679 /nfs/dbraw/zinc/69/46/79/815694679.db2.gz ZJJXQPNARCSLPU-BETUJISGSA-N 2 2 278.371 2.305 20 10 CECDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137840400 815694681 /nfs/dbraw/zinc/69/46/81/815694681.db2.gz ZJJXQPNARCSLPU-BETUJISGSA-N 2 2 278.371 2.305 20 10 CECDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137840400 815694684 /nfs/dbraw/zinc/69/46/84/815694684.db2.gz ZJJXQPNARCSLPU-BETUJISGSA-N 2 2 278.371 2.305 20 10 CECDLP C[N@@H+](Cc1cccc(F)c1O)CC1CC[NH+](C)CC1 ZINC000160232788 366985767 /nfs/dbraw/zinc/98/57/67/366985767.db2.gz PGXPYDSHOYLELC-UHFFFAOYSA-N 2 2 266.360 2.305 20 10 CECDLP C[N@H+](Cc1cccc(F)c1O)CC1CC[NH+](C)CC1 ZINC000160232788 366985772 /nfs/dbraw/zinc/98/57/72/366985772.db2.gz PGXPYDSHOYLELC-UHFFFAOYSA-N 2 2 266.360 2.305 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368102826 373219922 /nfs/dbraw/zinc/21/99/22/373219922.db2.gz QAHYOHIDGKPKSX-QWRGUYRKSA-N 2 2 287.363 2.332 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368102826 373219926 /nfs/dbraw/zinc/21/99/26/373219926.db2.gz QAHYOHIDGKPKSX-QWRGUYRKSA-N 2 2 287.363 2.332 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372933068 395050501 /nfs/dbraw/zinc/05/05/01/395050501.db2.gz YILLLNAQPXPUKV-RRFJBIMHSA-N 2 2 290.407 2.296 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372933068 395050504 /nfs/dbraw/zinc/05/05/04/395050504.db2.gz YILLLNAQPXPUKV-RRFJBIMHSA-N 2 2 290.407 2.296 20 10 CECDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518946 523858970 /nfs/dbraw/zinc/85/89/70/523858970.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 2 2 278.371 2.449 20 10 CECDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518946 523858976 /nfs/dbraw/zinc/85/89/76/523858976.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 2 2 278.371 2.449 20 10 CECDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518946 523858979 /nfs/dbraw/zinc/85/89/79/523858979.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 2 2 278.371 2.449 20 10 CECDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000293518946 523858985 /nfs/dbraw/zinc/85/89/85/523858985.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 2 2 278.371 2.449 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000077253402 623660225 /nfs/dbraw/zinc/66/02/25/623660225.db2.gz YDLKZAUNNJTKRU-UHFFFAOYSA-N 2 2 261.413 2.328 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000077253402 623660228 /nfs/dbraw/zinc/66/02/28/623660228.db2.gz YDLKZAUNNJTKRU-UHFFFAOYSA-N 2 2 261.413 2.328 20 10 CECDLP COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1O ZINC000328461473 627885303 /nfs/dbraw/zinc/88/53/03/627885303.db2.gz HJVAWEQBRWPUDX-JKSUJKDBSA-N 2 2 298.386 2.328 20 10 CECDLP COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1O ZINC000328461473 627885304 /nfs/dbraw/zinc/88/53/04/627885304.db2.gz HJVAWEQBRWPUDX-JKSUJKDBSA-N 2 2 298.386 2.328 20 10 CECDLP COc1cc(C)cc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1O ZINC000895453223 630194542 /nfs/dbraw/zinc/19/45/42/630194542.db2.gz GEAPQYUOWKWKTN-OAHLLOKOSA-N 2 2 290.407 2.235 20 10 CECDLP COc1cc(C)cc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1O ZINC000895453223 630194548 /nfs/dbraw/zinc/19/45/48/630194548.db2.gz GEAPQYUOWKWKTN-OAHLLOKOSA-N 2 2 290.407 2.235 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636489 630620345 /nfs/dbraw/zinc/62/03/45/630620345.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 2 2 264.344 2.248 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636489 630620348 /nfs/dbraw/zinc/62/03/48/630620348.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 2 2 264.344 2.248 20 10 CECDLP CCC[NH2+]CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841046641 632349406 /nfs/dbraw/zinc/34/94/06/632349406.db2.gz KEUSRVDXPYCRQW-WAYWQWQTSA-N 2 2 261.413 2.355 20 10 CECDLP C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)c(F)cc1O ZINC000817938805 633788859 /nfs/dbraw/zinc/78/88/59/633788859.db2.gz SQNZTSOPWQPCKZ-SSDOTTSWSA-N 2 2 291.164 2.293 20 10 CECDLP COC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000817939519 633789181 /nfs/dbraw/zinc/78/91/81/633789181.db2.gz CAGXBVGVFQIDDP-HZPDHXFCSA-N 2 2 279.428 2.013 20 10 CECDLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000817965504 633805862 /nfs/dbraw/zinc/80/58/62/633805862.db2.gz WEFILLARHKKTLX-CYBMUJFWSA-N 2 2 288.391 2.432 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc(F)ccc1O ZINC000817967857 633809585 /nfs/dbraw/zinc/80/95/85/633809585.db2.gz CUQOZQLSCURHAT-NRUUGDAUSA-N 2 2 252.333 2.180 20 10 CECDLP Cc1cc(O)c(C[NH2+]CCn2cc[nH+]c2)c(Cl)c1 ZINC000840877631 639568970 /nfs/dbraw/zinc/56/89/70/639568970.db2.gz ZVYLPLDQWQKXFS-UHFFFAOYSA-N 2 2 265.744 2.340 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841064433 639639140 /nfs/dbraw/zinc/63/91/40/639639140.db2.gz QMGHBQVXCZIXFG-LMVHVUTASA-N 2 2 261.413 2.353 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079326 639648822 /nfs/dbraw/zinc/64/88/22/639648822.db2.gz MDBHVIXMOZKUOL-LBPRGKRZSA-N 2 2 266.772 2.277 20 10 CECDLP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000841084654 639650373 /nfs/dbraw/zinc/65/03/73/639650373.db2.gz MNQSMHHSVMEDJH-LDYMZIIASA-N 2 2 272.751 2.402 20 10 CECDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843114533 640285521 /nfs/dbraw/zinc/28/55/21/640285521.db2.gz CYUXWNXMMZJRRX-ZDUSSCGKSA-N 2 2 299.212 2.325 20 10 CECDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843114533 640285528 /nfs/dbraw/zinc/28/55/28/640285528.db2.gz CYUXWNXMMZJRRX-ZDUSSCGKSA-N 2 2 299.212 2.325 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC[NH3+])c1O ZINC000843351490 640399760 /nfs/dbraw/zinc/39/97/60/640399760.db2.gz XRZPQEJERFHAKB-UHFFFAOYSA-N 2 2 270.760 2.029 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC[NH3+])c1O ZINC000843351490 640399764 /nfs/dbraw/zinc/39/97/64/640399764.db2.gz XRZPQEJERFHAKB-UHFFFAOYSA-N 2 2 270.760 2.029 20 10 CECDLP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000848924268 642194899 /nfs/dbraw/zinc/19/48/99/642194899.db2.gz ZCXWFTJNCGDQCT-KLPPZKSPSA-N 2 2 268.788 2.475 20 10 CECDLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1O ZINC000854227853 644017453 /nfs/dbraw/zinc/01/74/53/644017453.db2.gz RRVZFSNBLICUME-VROQLPPWSA-N 2 2 264.344 2.324 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000854232785 644020108 /nfs/dbraw/zinc/02/01/08/644020108.db2.gz UENFLBOZJZJWPR-BDAKNGLRSA-N 2 2 287.201 2.413 20 10 CECDLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000756341689 644631972 /nfs/dbraw/zinc/63/19/72/644631972.db2.gz JEUGQJCXTPNICW-VIFPVBQESA-N 2 2 258.312 2.273 20 10 CECDLP CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC000863484231 646740363 /nfs/dbraw/zinc/74/03/63/646740363.db2.gz IGXFETKMYMSBMT-YPMHNXCESA-N 2 2 264.369 2.021 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863487322 646741726 /nfs/dbraw/zinc/74/17/26/646741726.db2.gz NUZMTCDALAMNPH-JOYOIKCWSA-N 2 2 299.212 2.303 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229914 649601489 /nfs/dbraw/zinc/60/14/89/649601489.db2.gz IVGLSJRFOSLHPC-HZPDHXFCSA-N 2 2 276.380 2.165 20 10 CECDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000702613330 809570874 /nfs/dbraw/zinc/57/08/74/809570874.db2.gz UAMANPBXKPCBFL-GASCZTMLSA-N 2 2 280.799 2.477 20 10 CECDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1O ZINC000290625215 344684347 /nfs/dbraw/zinc/68/43/47/344684347.db2.gz XNZNQTSQQWBITL-UHFFFAOYSA-N 2 2 263.316 2.250 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000272661927 373604933 /nfs/dbraw/zinc/60/49/33/373604933.db2.gz ROGNXQDOMWYEJP-RHSMWYFYSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000272661927 373604938 /nfs/dbraw/zinc/60/49/38/373604938.db2.gz ROGNXQDOMWYEJP-RHSMWYFYSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1F ZINC000272661927 373604940 /nfs/dbraw/zinc/60/49/40/373604940.db2.gz ROGNXQDOMWYEJP-RHSMWYFYSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1F ZINC000272661927 373604946 /nfs/dbraw/zinc/60/49/46/373604946.db2.gz ROGNXQDOMWYEJP-RHSMWYFYSA-N 2 2 291.414 2.418 20 10 CECDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000292883687 377331685 /nfs/dbraw/zinc/33/16/85/377331685.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 2 2 264.344 2.059 20 10 CECDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000292883687 377331692 /nfs/dbraw/zinc/33/16/92/377331692.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 2 2 264.344 2.059 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1O ZINC000230934234 333322600 /nfs/dbraw/zinc/32/26/00/333322600.db2.gz WKDWJSJFGWZHDU-LBPRGKRZSA-N 2 2 284.787 2.238 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1O ZINC000230934234 333322602 /nfs/dbraw/zinc/32/26/02/333322602.db2.gz WKDWJSJFGWZHDU-LBPRGKRZSA-N 2 2 284.787 2.238 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037157737 524767273 /nfs/dbraw/zinc/76/72/73/524767273.db2.gz IKGIKPQDVNQYCH-NWDGAFQWSA-N 2 2 275.352 2.337 20 10 CECDLP C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)C[NH+](C)C ZINC000813785624 632733078 /nfs/dbraw/zinc/73/30/78/632733078.db2.gz FLJPFYBTZCHMQP-SECBINFHSA-N 2 2 274.767 2.472 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941459 633790164 /nfs/dbraw/zinc/79/01/64/633790164.db2.gz JVCWJZCDDNWFIC-GUYCJALGSA-N 2 2 291.439 2.157 20 10 CECDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000817945229 633792054 /nfs/dbraw/zinc/79/20/54/633792054.db2.gz XOXIXDMJNCOJSJ-GXSJLCMTSA-N 2 2 254.761 2.367 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950801 633795744 /nfs/dbraw/zinc/79/57/44/633795744.db2.gz ZGECGCNAYHRQBA-JQWIXIFHSA-N 2 2 252.333 2.324 20 10 CECDLP COCC[NH2+]CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817964386 633806113 /nfs/dbraw/zinc/80/61/13/633806113.db2.gz AKVPLYHUCHPARG-ZDUSSCGKSA-N 2 2 292.423 2.158 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817966233 633808284 /nfs/dbraw/zinc/80/82/84/633808284.db2.gz JJEIALHNBHFEFZ-SFYZADRCSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1O ZINC000817970181 633813414 /nfs/dbraw/zinc/81/34/14/633813414.db2.gz NLPVHLNKXCOHLC-JGVFFNPUSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Br)cc(F)c1O ZINC000817971296 633813471 /nfs/dbraw/zinc/81/34/71/633813471.db2.gz CATFFRHOYNMZMH-NKWVEPMBSA-N 2 2 291.164 2.292 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1O ZINC000817972655 633816055 /nfs/dbraw/zinc/81/60/55/633816055.db2.gz ZHJVJGDTMADSBO-FXPVBKGRSA-N 2 2 270.323 2.462 20 10 CECDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1 ZINC000817976421 633819517 /nfs/dbraw/zinc/81/95/17/633819517.db2.gz LVBVKULVVBKKOG-SRVKXCTJSA-N 2 2 252.333 2.051 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079239 635397046 /nfs/dbraw/zinc/39/70/46/635397046.db2.gz KGZBFHRLGNFYBT-LBPRGKRZSA-N 2 2 284.762 2.416 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033168 639625436 /nfs/dbraw/zinc/62/54/36/639625436.db2.gz OCXFELBSGAJXRS-SECBINFHSA-N 2 2 272.751 2.274 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1O ZINC000841036170 639628097 /nfs/dbraw/zinc/62/80/97/639628097.db2.gz PGDXMRSFDHQXKK-LBPRGKRZSA-N 2 2 254.761 2.196 20 10 CECDLP Cc1ncc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042497 639630014 /nfs/dbraw/zinc/63/00/14/639630014.db2.gz KVELKTKLGQVXLY-OAHLLOKOSA-N 2 2 290.436 2.307 20 10 CECDLP Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1O ZINC000841042247 639630078 /nfs/dbraw/zinc/63/00/78/639630078.db2.gz HEKVCWAOVJEGSZ-GFCCVEGCSA-N 2 2 299.212 2.305 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000841065374 639641469 /nfs/dbraw/zinc/64/14/69/639641469.db2.gz JIZWXKXXKMTGEJ-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000843051752 640254629 /nfs/dbraw/zinc/25/46/29/640254629.db2.gz LJUHNVOYJRBRIY-IUODEOHRSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000843051752 640254632 /nfs/dbraw/zinc/25/46/32/640254632.db2.gz LJUHNVOYJRBRIY-IUODEOHRSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(O)c1 ZINC000843051956 640255058 /nfs/dbraw/zinc/25/50/58/640255058.db2.gz NDEPWYXZZKBUHU-SWLSCSKDSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c(O)c1 ZINC000843051956 640255062 /nfs/dbraw/zinc/25/50/62/640255062.db2.gz NDEPWYXZZKBUHU-SWLSCSKDSA-N 2 2 278.396 2.350 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057673 640260373 /nfs/dbraw/zinc/26/03/73/640260373.db2.gz QNWRQSALDOKRMO-IUCAKERBSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057673 640260376 /nfs/dbraw/zinc/26/03/76/640260376.db2.gz QNWRQSALDOKRMO-IUCAKERBSA-N 2 2 272.751 2.354 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1F ZINC000843124828 640290615 /nfs/dbraw/zinc/29/06/15/640290615.db2.gz IHSNLGDDPSOYOT-UHFFFAOYSA-N 2 2 265.376 2.205 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1F ZINC000843124828 640290618 /nfs/dbraw/zinc/29/06/18/640290618.db2.gz IHSNLGDDPSOYOT-UHFFFAOYSA-N 2 2 265.376 2.205 20 10 CECDLP Cc1cc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)ccc1N(C)C ZINC000923380527 643687441 /nfs/dbraw/zinc/68/74/41/643687441.db2.gz OQMZWKHWHIRGHB-QGZVFWFLSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)ccc1N(C)C ZINC000923380527 643687442 /nfs/dbraw/zinc/68/74/42/643687442.db2.gz OQMZWKHWHIRGHB-QGZVFWFLSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)ccc1N(C)C ZINC000923432028 643710022 /nfs/dbraw/zinc/71/00/22/643710022.db2.gz ZVIGOWFFFOUXLA-HNNXBMFYSA-N 2 2 261.413 2.230 20 10 CECDLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)ccc1N(C)C ZINC000923432028 643710026 /nfs/dbraw/zinc/71/00/26/643710026.db2.gz ZVIGOWFFFOUXLA-HNNXBMFYSA-N 2 2 261.413 2.230 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000778187008 647206787 /nfs/dbraw/zinc/20/67/87/647206787.db2.gz CGKYHGRJGUJCDR-CYBMUJFWSA-N 2 2 287.363 2.092 20 10 CECDLP Cc1ccc(O)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000778188722 647207153 /nfs/dbraw/zinc/20/71/53/647207153.db2.gz IDEYEZPSSXEIFK-CYBMUJFWSA-N 2 2 257.337 2.002 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(F)ccc1O ZINC000779067753 647284587 /nfs/dbraw/zinc/28/45/87/647284587.db2.gz ZOEQBHSIFMLRNV-CMPLNLGQSA-N 2 2 275.327 2.393 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000873230056 649601276 /nfs/dbraw/zinc/60/12/76/649601276.db2.gz LPTXTRAYQKUUQJ-HZPDHXFCSA-N 2 2 277.387 2.266 20 10 CECDLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516489 809944342 /nfs/dbraw/zinc/94/43/42/809944342.db2.gz IVJCGBMKGZLYDF-UHFFFAOYSA-N 2 2 272.339 2.348 20 10 CECDLP COc1cc(C[N@@H+]2CC[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139255631 815996881 /nfs/dbraw/zinc/99/68/81/815996881.db2.gz QZLLIBLHNBUTLI-ZDUSSCGKSA-N 2 2 282.359 2.006 20 10 CECDLP COc1cc(C[N@H+]2CC[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139255631 815996887 /nfs/dbraw/zinc/99/68/87/815996887.db2.gz QZLLIBLHNBUTLI-ZDUSSCGKSA-N 2 2 282.359 2.006 20 10 CECDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1O ZINC000273383861 373753023 /nfs/dbraw/zinc/75/30/23/373753023.db2.gz IVOFPZIJKWOLMX-YPMHNXCESA-N 2 2 298.814 2.153 20 10 CECDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273597420 373766523 /nfs/dbraw/zinc/76/65/23/373766523.db2.gz QZJGNQSJUFTJCV-AWEZNQCLSA-N 2 2 280.412 2.238 20 10 CECDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273597420 373766528 /nfs/dbraw/zinc/76/65/28/373766528.db2.gz QZJGNQSJUFTJCV-AWEZNQCLSA-N 2 2 280.412 2.238 20 10 CECDLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183448878 395256619 /nfs/dbraw/zinc/25/66/19/395256619.db2.gz VBKKIGXBIHAZTI-CYBMUJFWSA-N 2 2 278.396 2.154 20 10 CECDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C[NH+]1CCOCC1 ZINC000185504797 262056778 /nfs/dbraw/zinc/05/67/78/262056778.db2.gz OFELBBKJPNZENZ-STQMWFEESA-N 2 2 296.386 2.150 20 10 CECDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000185505274 262057903 /nfs/dbraw/zinc/05/79/03/262057903.db2.gz CFFYKTKPCBHKPE-HUUCEWRRSA-N 2 2 292.423 2.320 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000185141906 262302921 /nfs/dbraw/zinc/30/29/21/262302921.db2.gz TWXDGJBHYKEHIE-VXGBXAGGSA-N 2 2 264.369 2.146 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000185141906 262302922 /nfs/dbraw/zinc/30/29/22/262302922.db2.gz TWXDGJBHYKEHIE-VXGBXAGGSA-N 2 2 264.369 2.146 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902475962 634667481 /nfs/dbraw/zinc/66/74/81/634667481.db2.gz KNXOWKRSVVRPNC-HMHPOGMRSA-N 2 2 250.317 2.075 20 10 CECDLP CCO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962647 632390094 /nfs/dbraw/zinc/39/00/94/632390094.db2.gz RKLABNPWMXQYBD-UONOGXRCSA-N 2 2 280.412 2.318 20 10 CECDLP CCO[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)C[NH+](C)C ZINC000926964304 632392259 /nfs/dbraw/zinc/39/22/59/632392259.db2.gz WYDQZNBCEIOSEU-CHWSQXEVSA-N 2 2 296.411 2.018 20 10 CECDLP COc1cc(Cl)cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1O ZINC000817865558 633747847 /nfs/dbraw/zinc/74/78/47/633747847.db2.gz LGQKGQYIRMHDRC-UHFFFAOYSA-N 2 2 296.798 2.382 20 10 CECDLP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000817902849 633764148 /nfs/dbraw/zinc/76/41/48/633764148.db2.gz ZKQSRGFBQONGEZ-SWLSCSKDSA-N 2 2 260.381 2.242 20 10 CECDLP C[C@@H]([NH2+]CC[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817934262 633786917 /nfs/dbraw/zinc/78/69/17/633786917.db2.gz FGTQYXVFIKLIIE-GFCCVEGCSA-N 2 2 265.376 2.425 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000817955934 633799429 /nfs/dbraw/zinc/79/94/29/633799429.db2.gz LTIUMFAXFLNWCA-IUODEOHRSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000817955934 633799433 /nfs/dbraw/zinc/79/94/33/633799433.db2.gz LTIUMFAXFLNWCA-IUODEOHRSA-N 2 2 259.397 2.026 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817971525 633815673 /nfs/dbraw/zinc/81/56/73/633815673.db2.gz DWEVCBNIONMMBF-HTQZYQBOSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984444 633826687 /nfs/dbraw/zinc/82/66/87/633826687.db2.gz SUUMWGRKAXASEY-ZYHUDNBSSA-N 2 2 252.333 2.324 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000903960379 635371102 /nfs/dbraw/zinc/37/11/02/635371102.db2.gz HKLIFNOFIPKYJN-RHSMWYFYSA-N 2 2 273.424 2.374 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954538 635388057 /nfs/dbraw/zinc/38/80/57/635388057.db2.gz DSNJBSYYMUGBFV-SNVBAGLBSA-N 2 2 290.741 2.380 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000903968697 635400798 /nfs/dbraw/zinc/40/07/98/635400798.db2.gz ZFNKPJJYAGZMGG-SCZZXKLOSA-N 2 2 272.751 2.130 20 10 CECDLP c1cc2c(cc1C[NH2+][C@H]1CCCC[NH2+]C1)CCCO2 ZINC000904358550 635590153 /nfs/dbraw/zinc/59/01/53/635590153.db2.gz PGRMYUMYVCACPW-HNNXBMFYSA-N 2 2 260.381 2.243 20 10 CECDLP C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)[NH+](C)C ZINC000835042825 638035293 /nfs/dbraw/zinc/03/52/93/638035293.db2.gz MJCSWIYGSXDECO-UZYOAWRESA-N 2 2 261.413 2.306 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000841086635 639652355 /nfs/dbraw/zinc/65/23/55/639652355.db2.gz OVNHBVCPSFYSDR-OAHLLOKOSA-N 2 2 261.413 2.291 20 10 CECDLP C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000841101118 639667576 /nfs/dbraw/zinc/66/75/76/639667576.db2.gz OJLIOPZBTSCBJZ-CMPLNLGQSA-N 2 2 268.788 2.462 20 10 CECDLP C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000841101118 639667587 /nfs/dbraw/zinc/66/75/87/639667587.db2.gz OJLIOPZBTSCBJZ-CMPLNLGQSA-N 2 2 268.788 2.462 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046348 640250998 /nfs/dbraw/zinc/25/09/98/640250998.db2.gz XCUASCRFQZALRG-SWLSCSKDSA-N 2 2 278.371 2.495 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046348 640251002 /nfs/dbraw/zinc/25/10/02/640251002.db2.gz XCUASCRFQZALRG-SWLSCSKDSA-N 2 2 278.371 2.495 20 10 CECDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843047496 640252227 /nfs/dbraw/zinc/25/22/27/640252227.db2.gz PZVMNTMZORIINX-JTQLQIEISA-N 2 2 299.212 2.325 20 10 CECDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843047496 640252228 /nfs/dbraw/zinc/25/22/28/640252228.db2.gz PZVMNTMZORIINX-JTQLQIEISA-N 2 2 299.212 2.325 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000843056122 640258563 /nfs/dbraw/zinc/25/85/63/640258563.db2.gz TXYUCDBLRAUHEC-INIZCTEOSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000843056122 640258565 /nfs/dbraw/zinc/25/85/65/640258565.db2.gz TXYUCDBLRAUHEC-INIZCTEOSA-N 2 2 261.413 2.245 20 10 CECDLP COc1ccc(N(C)CC[N@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000844902928 640861467 /nfs/dbraw/zinc/86/14/67/640861467.db2.gz XXOOIMPJBQBAHM-OAHLLOKOSA-N 2 2 293.455 2.437 20 10 CECDLP COc1ccc(N(C)CC[N@@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000844902928 640861469 /nfs/dbraw/zinc/86/14/69/640861469.db2.gz XXOOIMPJBQBAHM-OAHLLOKOSA-N 2 2 293.455 2.437 20 10 CECDLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000846162249 641208366 /nfs/dbraw/zinc/20/83/66/641208366.db2.gz CGFOPBWEZALINY-VXGBXAGGSA-N 2 2 287.363 2.263 20 10 CECDLP Cc1cc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)ccc1N(C)C ZINC000923380526 643687092 /nfs/dbraw/zinc/68/70/92/643687092.db2.gz OQMZWKHWHIRGHB-KRWDZBQOSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)ccc1N(C)C ZINC000923380526 643687098 /nfs/dbraw/zinc/68/70/98/643687098.db2.gz OQMZWKHWHIRGHB-KRWDZBQOSA-N 2 2 273.424 2.389 20 10 CECDLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2ccccc2c1O ZINC000756557843 644665772 /nfs/dbraw/zinc/66/57/72/644665772.db2.gz WQQGIXCHHBKDPL-JSGCOSHPSA-N 2 2 288.391 2.119 20 10 CECDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2ccccc2c1O ZINC000756557847 644665992 /nfs/dbraw/zinc/66/59/92/644665992.db2.gz WQQGIXCHHBKDPL-TZMCWYRMSA-N 2 2 288.391 2.119 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545733 646753225 /nfs/dbraw/zinc/75/32/25/646753225.db2.gz GZHHHVJMLBJENS-SCVCMEIPSA-N 2 2 252.333 2.322 20 10 CECDLP Cc1cnccc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000863641427 646775667 /nfs/dbraw/zinc/77/56/67/646775667.db2.gz BRPGGGNSUHPVJL-KRWDZBQOSA-N 2 2 284.407 2.246 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873232019 649603419 /nfs/dbraw/zinc/60/34/19/649603419.db2.gz TYMYMJHVAJHBLX-DLBZAZTESA-N 2 2 273.424 2.435 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020506222 649790136 /nfs/dbraw/zinc/79/01/36/649790136.db2.gz RBELSKAVXFANMF-LBPRGKRZSA-N 2 2 275.352 2.338 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001206197118 815638271 /nfs/dbraw/zinc/63/82/71/815638271.db2.gz GETTVOPRFWTRSD-ZYHUDNBSSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001206197118 815638274 /nfs/dbraw/zinc/63/82/74/815638274.db2.gz GETTVOPRFWTRSD-ZYHUDNBSSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001206197115 815638892 /nfs/dbraw/zinc/63/88/92/815638892.db2.gz GETTVOPRFWTRSD-PWSUYJOCSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001206197115 815638894 /nfs/dbraw/zinc/63/88/94/815638894.db2.gz GETTVOPRFWTRSD-PWSUYJOCSA-N 2 2 290.741 2.446 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000710190395 809984154 /nfs/dbraw/zinc/98/41/54/809984154.db2.gz TZRIICRDPRQITG-UHFFFAOYSA-N 2 2 289.404 2.174 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CCc3sc(C[NH3+])nc3C2)c1 ZINC000710190395 809984157 /nfs/dbraw/zinc/98/41/57/809984157.db2.gz TZRIICRDPRQITG-UHFFFAOYSA-N 2 2 289.404 2.174 20 10 CECDLP c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246173434 813718233 /nfs/dbraw/zinc/71/82/33/813718233.db2.gz HBLPUJGYGHIDPX-OAHLLOKOSA-N 2 2 259.397 2.128 20 10 CECDLP COCC[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113328763 364889456 /nfs/dbraw/zinc/88/94/56/364889456.db2.gz HPGPXSSBEALMML-UHFFFAOYSA-N 2 2 298.814 2.246 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372933070 395050438 /nfs/dbraw/zinc/05/04/38/395050438.db2.gz YILLLNAQPXPUKV-SOUVJXGZSA-N 2 2 290.407 2.296 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1O ZINC000372933070 395050442 /nfs/dbraw/zinc/05/04/42/395050442.db2.gz YILLLNAQPXPUKV-SOUVJXGZSA-N 2 2 290.407 2.296 20 10 CECDLP C[C@@H]1C[NH+]=C(N2CC[NH+](Cc3ccccc3O)CC2)S1 ZINC000179579990 395196586 /nfs/dbraw/zinc/19/65/86/395196586.db2.gz JHYRBPCEXMLIGX-GFCCVEGCSA-N 2 2 291.420 2.001 20 10 CECDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000184693380 262026236 /nfs/dbraw/zinc/02/62/36/262026236.db2.gz NQVLTMOVFFOIBU-LLVKDONJSA-N 2 2 298.814 2.438 20 10 CECDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1O ZINC000184693380 262026238 /nfs/dbraw/zinc/02/62/38/262026238.db2.gz NQVLTMOVFFOIBU-LLVKDONJSA-N 2 2 298.814 2.438 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000184766388 262028977 /nfs/dbraw/zinc/02/89/77/262028977.db2.gz NVYZKFYMHJNXSI-UHFFFAOYSA-N 2 2 298.390 2.121 20 10 CECDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185144815 262044059 /nfs/dbraw/zinc/04/40/59/262044059.db2.gz VCOLTTRKOGMFHG-LBPRGKRZSA-N 2 2 296.386 2.293 20 10 CECDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095299 276379608 /nfs/dbraw/zinc/37/96/08/276379608.db2.gz UBHLPRDTZSMVCI-KBPBESRZSA-N 2 2 260.381 2.453 20 10 CECDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095299 276379611 /nfs/dbraw/zinc/37/96/11/276379611.db2.gz UBHLPRDTZSMVCI-KBPBESRZSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C[NH+](C)C ZINC000293387641 524748423 /nfs/dbraw/zinc/74/84/23/524748423.db2.gz ISPHMYNNJISUTK-QWRGUYRKSA-N 2 2 254.349 2.380 20 10 CECDLP CC(C)[NH+]1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896637490 630620415 /nfs/dbraw/zinc/62/04/15/630620415.db2.gz NHGCCLCDQJBLKE-UHFFFAOYSA-N 2 2 266.360 2.494 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CC[N@@H+]1C ZINC000896637383 630620846 /nfs/dbraw/zinc/62/08/46/630620846.db2.gz JPWRPQLMFIETTO-GHMZBOCLSA-N 2 2 252.333 2.104 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2F)CC[N@H+]1C ZINC000896637383 630620847 /nfs/dbraw/zinc/62/08/47/630620847.db2.gz JPWRPQLMFIETTO-GHMZBOCLSA-N 2 2 252.333 2.104 20 10 CECDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926959244 632386212 /nfs/dbraw/zinc/38/62/12/632386212.db2.gz AOUJNJBYVSBQHB-RHSMWYFYSA-N 2 2 293.455 2.370 20 10 CECDLP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)C[NH+](C)C ZINC000926964309 632392614 /nfs/dbraw/zinc/39/26/14/632392614.db2.gz WYDQZNBCEIOSEU-STQMWFEESA-N 2 2 296.411 2.018 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944426 633791206 /nfs/dbraw/zinc/79/12/06/633791206.db2.gz BSKMDTSUETVQDL-FXPVBKGRSA-N 2 2 250.317 2.031 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817976387 633819062 /nfs/dbraw/zinc/81/90/62/633819062.db2.gz KZMLFDAJMPGDEB-UBHSHLNASA-N 2 2 265.376 2.103 20 10 CECDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1 ZINC000817976799 633819931 /nfs/dbraw/zinc/81/99/31/633819931.db2.gz ULDCZUWBKWSINN-AGIUHOORSA-N 2 2 266.360 2.360 20 10 CECDLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)cc(F)c1O ZINC000817984780 633828231 /nfs/dbraw/zinc/82/82/31/633828231.db2.gz ZWXZCMQDOKQYTQ-SECBINFHSA-N 2 2 270.323 2.463 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903987040 635405333 /nfs/dbraw/zinc/40/53/33/635405333.db2.gz XGYPUDWTTHRHAK-OAHLLOKOSA-N 2 2 261.413 2.230 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903987040 635405338 /nfs/dbraw/zinc/40/53/38/635405338.db2.gz XGYPUDWTTHRHAK-OAHLLOKOSA-N 2 2 261.413 2.230 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000835043044 638034786 /nfs/dbraw/zinc/03/47/86/638034786.db2.gz OKLHIKIEDMIYRS-WAYWQWQTSA-N 2 2 273.424 2.451 20 10 CECDLP Cc1ncc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042495 639629668 /nfs/dbraw/zinc/62/96/68/639629668.db2.gz KVELKTKLGQVXLY-HNNXBMFYSA-N 2 2 290.436 2.307 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCSC2)cc1 ZINC000841044554 639630759 /nfs/dbraw/zinc/63/07/59/639630759.db2.gz CZILCHZNYSYMBF-DZGCQCFKSA-N 2 2 279.453 2.238 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCSC2)cc1 ZINC000841044556 639631346 /nfs/dbraw/zinc/63/13/46/639631346.db2.gz CZILCHZNYSYMBF-UKRRQHHQSA-N 2 2 279.453 2.238 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059174 639636819 /nfs/dbraw/zinc/63/68/19/639636819.db2.gz LZRFHCVFRABZOR-SKDRFNHKSA-N 2 2 284.787 2.142 20 10 CECDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000841065228 639641325 /nfs/dbraw/zinc/64/13/25/639641325.db2.gz ZFOQCLZYMSMPLK-CABZTGNLSA-N 2 2 254.761 2.133 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000842478595 640078437 /nfs/dbraw/zinc/07/84/37/640078437.db2.gz LDCOACARPABGLJ-GWCFXTLKSA-N 2 2 294.370 2.151 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000842478595 640078446 /nfs/dbraw/zinc/07/84/46/640078446.db2.gz LDCOACARPABGLJ-GWCFXTLKSA-N 2 2 294.370 2.151 20 10 CECDLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843048711 640253432 /nfs/dbraw/zinc/25/34/32/640253432.db2.gz SCICYKBCCSHVCK-HNNXBMFYSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843048711 640253438 /nfs/dbraw/zinc/25/34/38/640253438.db2.gz SCICYKBCCSHVCK-HNNXBMFYSA-N 2 2 261.413 2.245 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000843051751 640254793 /nfs/dbraw/zinc/25/47/93/640254793.db2.gz LJUHNVOYJRBRIY-DOMZBBRYSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000843051751 640254796 /nfs/dbraw/zinc/25/47/96/640254796.db2.gz LJUHNVOYJRBRIY-DOMZBBRYSA-N 2 2 278.396 2.350 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056878 640260186 /nfs/dbraw/zinc/26/01/86/640260186.db2.gz BIJRZTCMVKMMQT-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056878 640260190 /nfs/dbraw/zinc/26/01/90/640260190.db2.gz BIJRZTCMVKMMQT-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)cc(F)c1O ZINC000844921689 640866203 /nfs/dbraw/zinc/86/62/03/640866203.db2.gz RKNRTPPCFLZPMH-VIFPVBQESA-N 2 2 270.323 2.450 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921527832 642206912 /nfs/dbraw/zinc/20/69/12/642206912.db2.gz OWRPOAOQFASDLS-CYBMUJFWSA-N 2 2 271.364 2.386 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]CCC[NH+](C)C)cc1F ZINC000858086588 645056118 /nfs/dbraw/zinc/05/61/18/645056118.db2.gz KYNWVHVUMVEQCU-UHFFFAOYSA-N 2 2 271.355 2.072 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000858132193 645070575 /nfs/dbraw/zinc/07/05/75/645070575.db2.gz VZURBURXGJJFMY-GFCCVEGCSA-N 2 2 297.393 2.462 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000858132193 645070581 /nfs/dbraw/zinc/07/05/81/645070581.db2.gz VZURBURXGJJFMY-GFCCVEGCSA-N 2 2 297.393 2.462 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485234 646740501 /nfs/dbraw/zinc/74/05/01/646740501.db2.gz WZAIUOALSRAKTD-CABZTGNLSA-N 2 2 284.787 2.284 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484250 646740533 /nfs/dbraw/zinc/74/05/33/646740533.db2.gz IOYIEKYRHGTKBV-DGCLKSJQSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484249 646740565 /nfs/dbraw/zinc/74/05/65/646740565.db2.gz IOYIEKYRHGTKBV-AAEUAGOBSA-N 2 2 265.376 2.122 20 10 CECDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000863651953 646777829 /nfs/dbraw/zinc/77/78/29/646777829.db2.gz MQWWOWNJFARQPS-WAXTVWTQSA-N 2 2 259.397 2.106 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188551 647207148 /nfs/dbraw/zinc/20/71/48/647207148.db2.gz HSVQDFXBWNDJMI-JTQLQIEISA-N 2 2 277.755 2.347 20 10 CECDLP COCCC1([NH2+]Cc2cccc(Cl)c2O)CC[NH2+]CC1 ZINC000873224741 649597645 /nfs/dbraw/zinc/59/76/45/649597645.db2.gz JHIUTRHIGNCJNQ-UHFFFAOYSA-N 2 2 298.814 2.294 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2O)C[NH2+]1 ZINC001246341646 813792770 /nfs/dbraw/zinc/79/27/70/813792770.db2.gz BLZIIHOGVRATCZ-SKDRFNHKSA-N 2 2 299.212 2.385 20 10 CECDLP COc1cc(C[N@@H+]2CCC[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139257174 815997323 /nfs/dbraw/zinc/99/73/23/815997323.db2.gz UICPIGWUNRXMCP-CQSZACIVSA-N 2 2 296.386 2.396 20 10 CECDLP COc1cc(C[N@H+]2CCC[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139257174 815997325 /nfs/dbraw/zinc/99/73/25/815997325.db2.gz UICPIGWUNRXMCP-CQSZACIVSA-N 2 2 296.386 2.396 20 10 CECDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142531084 816680967 /nfs/dbraw/zinc/68/09/67/816680967.db2.gz PJBAJRAUVUCNLC-BETUJISGSA-N 2 2 296.361 2.444 20 10 CECDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142531084 816680970 /nfs/dbraw/zinc/68/09/70/816680970.db2.gz PJBAJRAUVUCNLC-BETUJISGSA-N 2 2 296.361 2.444 20 10 CECDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142531084 816680973 /nfs/dbraw/zinc/68/09/73/816680973.db2.gz PJBAJRAUVUCNLC-BETUJISGSA-N 2 2 296.361 2.444 20 10 CECDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142531084 816680976 /nfs/dbraw/zinc/68/09/76/816680976.db2.gz PJBAJRAUVUCNLC-BETUJISGSA-N 2 2 296.361 2.444 20 10 CECDLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(F)c1O ZINC000230744785 370466539 /nfs/dbraw/zinc/46/65/39/370466539.db2.gz XIKDGRFJVUMRPP-UHFFFAOYSA-N 2 2 254.349 2.305 20 10 CECDLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(F)c1O ZINC000230744785 370466542 /nfs/dbraw/zinc/46/65/42/370466542.db2.gz XIKDGRFJVUMRPP-UHFFFAOYSA-N 2 2 254.349 2.305 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000273363271 292014161 /nfs/dbraw/zinc/01/41/61/292014161.db2.gz AUFQVJNPHHBURH-VXGBXAGGSA-N 2 2 294.395 2.170 20 10 CECDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368131663 394979072 /nfs/dbraw/zinc/97/90/72/394979072.db2.gz BDWKAAXSXKARIE-ZDUSSCGKSA-N 2 2 257.337 2.115 20 10 CECDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000368131663 394979078 /nfs/dbraw/zinc/97/90/78/394979078.db2.gz BDWKAAXSXKARIE-ZDUSSCGKSA-N 2 2 257.337 2.115 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000194534593 395439956 /nfs/dbraw/zinc/43/99/56/395439956.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000194534593 395439961 /nfs/dbraw/zinc/43/99/61/395439961.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000194534593 395439965 /nfs/dbraw/zinc/43/99/65/395439965.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@@H]2C1 ZINC000194534593 395439970 /nfs/dbraw/zinc/43/99/70/395439970.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 2 2 266.772 2.039 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000185504831 262057285 /nfs/dbraw/zinc/05/72/85/262057285.db2.gz OFELBBKJPNZENZ-QWHCGFSZSA-N 2 2 296.386 2.150 20 10 CECDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000185505648 262057741 /nfs/dbraw/zinc/05/77/41/262057741.db2.gz KGOWRUVTZNMLLX-QWHCGFSZSA-N 2 2 296.386 2.150 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)c1O ZINC000228668892 329059093 /nfs/dbraw/zinc/05/90/93/329059093.db2.gz FYZCCFKFYICCHS-UHFFFAOYSA-N 2 2 295.770 2.431 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902449057 634671960 /nfs/dbraw/zinc/67/19/60/634671960.db2.gz LKJKSMMCIKKLAY-QMTHXVAHSA-N 2 2 264.369 2.049 20 10 CECDLP C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1[NH3+] ZINC000220184840 628823450 /nfs/dbraw/zinc/82/34/50/628823450.db2.gz IZVLXPOCYRRLKS-CABZTGNLSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1[NH3+] ZINC000220184840 628823454 /nfs/dbraw/zinc/82/34/54/628823454.db2.gz IZVLXPOCYRRLKS-CABZTGNLSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000220332809 628825867 /nfs/dbraw/zinc/82/58/67/628825867.db2.gz JYSQSSXJRKDBQP-JOYOIKCWSA-N 2 2 299.212 2.466 20 10 CECDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Br)ccc1O ZINC000220332809 628825868 /nfs/dbraw/zinc/82/58/68/628825868.db2.gz JYSQSSXJRKDBQP-JOYOIKCWSA-N 2 2 299.212 2.466 20 10 CECDLP Cc1ccncc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042713 632322796 /nfs/dbraw/zinc/32/27/96/632322796.db2.gz MQSNNCXPXVZFCI-KRWDZBQOSA-N 2 2 284.407 2.246 20 10 CECDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044791 632347949 /nfs/dbraw/zinc/34/79/49/632347949.db2.gz IEEWDJYGGVXLLJ-INIZCTEOSA-N 2 2 298.386 2.423 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941441 633789869 /nfs/dbraw/zinc/78/98/69/633789869.db2.gz QHJACSDRZYVOLU-MWLCHTKSSA-N 2 2 254.761 2.448 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950802 633796042 /nfs/dbraw/zinc/79/60/42/633796042.db2.gz ZGECGCNAYHRQBA-PWSUYJOCSA-N 2 2 252.333 2.324 20 10 CECDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817962066 633805207 /nfs/dbraw/zinc/80/52/07/633805207.db2.gz HPPMSTZLJVTGLU-AAEUAGOBSA-N 2 2 294.395 2.347 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc(F)ccc1O ZINC000817967855 633810396 /nfs/dbraw/zinc/81/03/96/633810396.db2.gz CUQOZQLSCURHAT-KWBADKCTSA-N 2 2 252.333 2.180 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000817976580 633819775 /nfs/dbraw/zinc/81/97/75/633819775.db2.gz OGDVTOLMXNWHRQ-NOZJJQNGSA-N 2 2 282.334 2.463 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)cc(F)c1O ZINC000817982706 633827055 /nfs/dbraw/zinc/82/70/55/633827055.db2.gz VOVRPENVPIYNIG-NGZCFLSTSA-N 2 2 270.323 2.448 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380798 635604502 /nfs/dbraw/zinc/60/45/02/635604502.db2.gz GXMYUTSFBHPXIS-IUODEOHRSA-N 2 2 260.381 2.242 20 10 CECDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000904463234 635635747 /nfs/dbraw/zinc/63/57/47/635635747.db2.gz OJQXRAQWNUCGCP-GFCCVEGCSA-N 2 2 254.761 2.133 20 10 CECDLP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000876880805 650470489 /nfs/dbraw/zinc/47/04/89/650470489.db2.gz NDFLYANFRMITFQ-HNNXBMFYSA-N 2 2 292.423 2.147 20 10 CECDLP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000876880805 650470491 /nfs/dbraw/zinc/47/04/91/650470491.db2.gz NDFLYANFRMITFQ-HNNXBMFYSA-N 2 2 292.423 2.147 20 10 CECDLP Cc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1O ZINC000841034245 639626505 /nfs/dbraw/zinc/62/65/05/639626505.db2.gz BNOZVKAIWLVCGW-HNNXBMFYSA-N 2 2 256.349 2.490 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OC ZINC000841035131 639626577 /nfs/dbraw/zinc/62/65/77/639626577.db2.gz HTLJFEYZCAXGES-HNNXBMFYSA-N 2 2 278.396 2.073 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000841035701 639628008 /nfs/dbraw/zinc/62/80/08/639628008.db2.gz KDJSMSPZTBQVQX-NSHDSACASA-N 2 2 299.212 2.305 20 10 CECDLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841058059 639635559 /nfs/dbraw/zinc/63/55/59/639635559.db2.gz OTOMSOCHUOZMON-GHMZBOCLSA-N 2 2 254.761 2.405 20 10 CECDLP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843047773 640252880 /nfs/dbraw/zinc/25/28/80/640252880.db2.gz TWNPNMSCGGIMSV-VIFPVBQESA-N 2 2 272.751 2.355 20 10 CECDLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843047773 640252884 /nfs/dbraw/zinc/25/28/84/640252884.db2.gz TWNPNMSCGGIMSV-VIFPVBQESA-N 2 2 272.751 2.355 20 10 CECDLP CCC[N@H+](Cc1ccc(OCC)cc1O)[C@H]1CC[NH2+]C1 ZINC000843052589 640256646 /nfs/dbraw/zinc/25/66/46/640256646.db2.gz OCTCLIFPLYTZDE-AWEZNQCLSA-N 2 2 278.396 2.365 20 10 CECDLP CCC[N@@H+](Cc1ccc(OCC)cc1O)[C@H]1CC[NH2+]C1 ZINC000843052589 640256649 /nfs/dbraw/zinc/25/66/49/640256649.db2.gz OCTCLIFPLYTZDE-AWEZNQCLSA-N 2 2 278.396 2.365 20 10 CECDLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000854232167 644018622 /nfs/dbraw/zinc/01/86/22/644018622.db2.gz NVBVIRLDNDTUBK-BDAKNGLRSA-N 2 2 287.201 2.413 20 10 CECDLP CCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000778187718 647207027 /nfs/dbraw/zinc/20/70/27/647207027.db2.gz KUAMRUOMOWCGAL-ZDUSSCGKSA-N 2 2 287.363 2.092 20 10 CECDLP CCCOc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1C ZINC000873094418 649557897 /nfs/dbraw/zinc/55/78/97/649557897.db2.gz IFORINOWPCEWQK-KRWDZBQOSA-N 2 2 294.439 2.186 20 10 CECDLP C[N@H+](CCCCCC[NH3+])Cc1cccc(F)c1O ZINC000873231800 649603546 /nfs/dbraw/zinc/60/35/46/649603546.db2.gz VRHHHALWZNLALB-UHFFFAOYSA-N 2 2 254.349 2.482 20 10 CECDLP C[N@@H+](CCCCCC[NH3+])Cc1cccc(F)c1O ZINC000873231800 649603548 /nfs/dbraw/zinc/60/35/48/649603548.db2.gz VRHHHALWZNLALB-UHFFFAOYSA-N 2 2 254.349 2.482 20 10 CECDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140468606 802964612 /nfs/dbraw/zinc/96/46/12/802964612.db2.gz QHMQJTMKJKTZLQ-BETUJISGSA-N 2 2 280.799 2.429 20 10 CECDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140468606 802964616 /nfs/dbraw/zinc/96/46/16/802964616.db2.gz QHMQJTMKJKTZLQ-BETUJISGSA-N 2 2 280.799 2.429 20 10 CECDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708440678 809930626 /nfs/dbraw/zinc/93/06/26/809930626.db2.gz DVZMJBPZSPZUCZ-VIFPVBQESA-N 2 2 258.312 2.100 20 10 CECDLP C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691488986 811957617 /nfs/dbraw/zinc/95/76/17/811957617.db2.gz POZQOSZVEWNMOL-UHFFFAOYSA-N 2 2 299.212 2.339 20 10 CECDLP COCC[N@H+](Cc1cc(C)ccc1O)C1CC[NH+](C)CC1 ZINC001140621003 816307330 /nfs/dbraw/zinc/30/73/30/816307330.db2.gz LKQQJUMZMLJCDR-UHFFFAOYSA-N 2 2 292.423 2.243 20 10 CECDLP COCC[N@@H+](Cc1cc(C)ccc1O)C1CC[NH+](C)CC1 ZINC001140621003 816307337 /nfs/dbraw/zinc/30/73/37/816307337.db2.gz LKQQJUMZMLJCDR-UHFFFAOYSA-N 2 2 292.423 2.243 20 10 CECDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180230750 368372881 /nfs/dbraw/zinc/37/28/81/368372881.db2.gz IFXMRMOHTBOBFZ-LLVKDONJSA-N 2 2 268.788 2.429 20 10 CECDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1O ZINC000281324081 375370855 /nfs/dbraw/zinc/37/08/55/375370855.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 2 2 266.360 2.449 20 10 CECDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1O ZINC000281324081 375370863 /nfs/dbraw/zinc/37/08/63/375370863.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 2 2 266.360 2.449 20 10 CECDLP CN1CCc2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)ccc21 ZINC000368091846 267145385 /nfs/dbraw/zinc/14/53/85/267145385.db2.gz YAHFCXOXIMADIW-AWEZNQCLSA-N 2 2 282.391 2.049 20 10 CECDLP CN1CCc2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)ccc21 ZINC000368091846 267145386 /nfs/dbraw/zinc/14/53/86/267145386.db2.gz YAHFCXOXIMADIW-AWEZNQCLSA-N 2 2 282.391 2.049 20 10 CECDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259473 290232275 /nfs/dbraw/zinc/23/22/75/290232275.db2.gz AMCHDPVRHSUXIO-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259473 290232277 /nfs/dbraw/zinc/23/22/77/290232277.db2.gz AMCHDPVRHSUXIO-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259473 290232279 /nfs/dbraw/zinc/23/22/79/290232279.db2.gz AMCHDPVRHSUXIO-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(F)c3O)[C@@H]2C1 ZINC000272259473 290232281 /nfs/dbraw/zinc/23/22/81/290232281.db2.gz AMCHDPVRHSUXIO-SMDDNHRTSA-N 2 2 264.344 2.057 20 10 CECDLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)C[NH+](C)C ZINC000293387639 298778912 /nfs/dbraw/zinc/77/89/12/298778912.db2.gz ISPHMYNNJISUTK-MNOVXSKESA-N 2 2 254.349 2.380 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530179298 313280698 /nfs/dbraw/zinc/28/06/98/313280698.db2.gz SKKWZARDAMZDEE-CYBMUJFWSA-N 2 2 296.798 2.428 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037157739 524767359 /nfs/dbraw/zinc/76/73/59/524767359.db2.gz IKGIKPQDVNQYCH-VXGBXAGGSA-N 2 2 275.352 2.337 20 10 CECDLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328166559 627864453 /nfs/dbraw/zinc/86/44/53/627864453.db2.gz IZNNOMGFERTLEZ-OAHLLOKOSA-N 2 2 261.413 2.327 20 10 CECDLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328166559 627864458 /nfs/dbraw/zinc/86/44/58/627864458.db2.gz IZNNOMGFERTLEZ-OAHLLOKOSA-N 2 2 261.413 2.327 20 10 CECDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448065 634671588 /nfs/dbraw/zinc/67/15/88/634671588.db2.gz XNAGISPLYRTMEW-IUODEOHRSA-N 2 2 261.413 2.401 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000817942898 633791444 /nfs/dbraw/zinc/79/14/44/633791444.db2.gz RHUPOXDBRBVTNB-LXZKKBNFSA-N 2 2 291.439 2.157 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945223 633792064 /nfs/dbraw/zinc/79/20/64/633792064.db2.gz XMXIMGCVTGDOJT-FZMZJTMJSA-N 2 2 260.381 2.284 20 10 CECDLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(Cl)ccc1O ZINC000817954556 633798790 /nfs/dbraw/zinc/79/87/90/633798790.db2.gz YQGRBIPXGUKOKJ-VIFPVBQESA-N 2 2 254.761 2.448 20 10 CECDLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1O ZINC000817964535 633806532 /nfs/dbraw/zinc/80/65/32/633806532.db2.gz BZXGQFBYDDZJLN-MADCSZMMSA-N 2 2 256.296 2.058 20 10 CECDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000817971295 633812965 /nfs/dbraw/zinc/81/29/65/633812965.db2.gz CATFFRHOYNMZMH-BQBZGAKWSA-N 2 2 291.164 2.292 20 10 CECDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817973452 633817026 /nfs/dbraw/zinc/81/70/26/633817026.db2.gz UCMPBEUIHOOPHI-BQBZGAKWSA-N 2 2 291.164 2.292 20 10 CECDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000817976272 633818429 /nfs/dbraw/zinc/81/84/29/633818429.db2.gz JHTMFHPUOUJOAG-WOPDTQHZSA-N 2 2 252.333 2.051 20 10 CECDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1C ZINC000817976341 633818926 /nfs/dbraw/zinc/81/89/26/633818926.db2.gz KEHHSEADPURNJG-AGIUHOORSA-N 2 2 266.360 2.360 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2c1c(F)ccc2O ZINC000817977068 633819976 /nfs/dbraw/zinc/81/99/76/633819976.db2.gz ZXVCZBRIISPTSD-WDCWCFNPSA-N 2 2 282.334 2.369 20 10 CECDLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1O ZINC000817984563 633826022 /nfs/dbraw/zinc/82/60/22/633826022.db2.gz UHYIGKOFENCBQQ-PWSUYJOCSA-N 2 2 252.333 2.324 20 10 CECDLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380800 635604363 /nfs/dbraw/zinc/60/43/63/635604363.db2.gz GXMYUTSFBHPXIS-WFASDCNBSA-N 2 2 260.381 2.242 20 10 CECDLP C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)[NH+](C)C ZINC000835042819 638035370 /nfs/dbraw/zinc/03/53/70/638035370.db2.gz MJCSWIYGSXDECO-AFNCTOJWSA-N 2 2 261.413 2.306 20 10 CECDLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841063240 639637869 /nfs/dbraw/zinc/63/78/69/639637869.db2.gz GUKKFPVJXUEWPP-KWQFWETISA-N 2 2 272.751 2.272 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841064260 639639581 /nfs/dbraw/zinc/63/95/81/639639581.db2.gz WZTGFQIWBROGBO-PRIUCCMZSA-N 2 2 273.424 2.496 20 10 CECDLP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1O ZINC000841081331 639649815 /nfs/dbraw/zinc/64/98/15/639649815.db2.gz URUGXWSESKGYEE-SECBINFHSA-N 2 2 287.201 2.372 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843045247 640251269 /nfs/dbraw/zinc/25/12/69/640251269.db2.gz SNGYTCRIZDQYJS-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843045247 640251271 /nfs/dbraw/zinc/25/12/71/640251271.db2.gz SNGYTCRIZDQYJS-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1[NH3+] ZINC000843052026 640255365 /nfs/dbraw/zinc/25/53/65/640255365.db2.gz OROTUMJYBITVGJ-CABZTGNLSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1[NH3+] ZINC000843052026 640255367 /nfs/dbraw/zinc/25/53/67/640255367.db2.gz OROTUMJYBITVGJ-CABZTGNLSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056880 640259980 /nfs/dbraw/zinc/25/99/80/640259980.db2.gz BIJRZTCMVKMMQT-IUCAKERBSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056880 640259982 /nfs/dbraw/zinc/25/99/82/640259982.db2.gz BIJRZTCMVKMMQT-IUCAKERBSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000846705017 641403019 /nfs/dbraw/zinc/40/30/19/641403019.db2.gz WZOWGWHRAWIQKN-MWLCHTKSSA-N 2 2 254.761 2.357 20 10 CECDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1O ZINC000846705017 641403023 /nfs/dbraw/zinc/40/30/23/641403023.db2.gz WZOWGWHRAWIQKN-MWLCHTKSSA-N 2 2 254.761 2.357 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000923295448 643646783 /nfs/dbraw/zinc/64/67/83/643646783.db2.gz WXUAQEXEPOIIOC-HNNXBMFYSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000923295448 643646788 /nfs/dbraw/zinc/64/67/88/643646788.db2.gz WXUAQEXEPOIIOC-HNNXBMFYSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000854231982 644018899 /nfs/dbraw/zinc/01/88/99/644018899.db2.gz MOPWINSRVOOAAO-ATZCPNFKSA-N 2 2 252.333 2.277 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000843051994 644759187 /nfs/dbraw/zinc/75/91/87/644759187.db2.gz NXVAPESVAZXWPH-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000843051994 644759191 /nfs/dbraw/zinc/75/91/91/644759191.db2.gz NXVAPESVAZXWPH-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000863487477 646741197 /nfs/dbraw/zinc/74/11/97/646741197.db2.gz QLFCKFBTYPCRDM-XJKSGUPXSA-N 2 2 261.413 2.373 20 10 CECDLP CC[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1O ZINC000863548191 646753641 /nfs/dbraw/zinc/75/36/41/646753641.db2.gz VPDZMOPGVCKMNH-CYBMUJFWSA-N 2 2 286.803 2.452 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H]1C[NH3+] ZINC000873216211 649593118 /nfs/dbraw/zinc/59/31/18/649593118.db2.gz LQYAOSLIZOXJRX-MWLCHTKSSA-N 2 2 299.212 2.181 20 10 CECDLP C[C@]1([NH3+])CC[N@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204801949 806152753 /nfs/dbraw/zinc/15/27/53/806152753.db2.gz XONFYXNGCFYPGH-LBPRGKRZSA-N 2 2 290.285 2.214 20 10 CECDLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204801949 806152756 /nfs/dbraw/zinc/15/27/56/806152756.db2.gz XONFYXNGCFYPGH-LBPRGKRZSA-N 2 2 290.285 2.214 20 10 CECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@]2(C)C1 ZINC000702415053 809551275 /nfs/dbraw/zinc/55/12/75/809551275.db2.gz NNVUSNKKVFXKDC-DOMZBBRYSA-N 2 2 280.799 2.429 20 10 CECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)ccc3O)C[C@]2(C)C1 ZINC000702415053 809551278 /nfs/dbraw/zinc/55/12/78/809551278.db2.gz NNVUSNKKVFXKDC-DOMZBBRYSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@]2(C)C1 ZINC000702415053 809551281 /nfs/dbraw/zinc/55/12/81/809551281.db2.gz NNVUSNKKVFXKDC-DOMZBBRYSA-N 2 2 280.799 2.429 20 10 CECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@]2(C)C1 ZINC000702415053 809551285 /nfs/dbraw/zinc/55/12/85/809551285.db2.gz NNVUSNKKVFXKDC-DOMZBBRYSA-N 2 2 280.799 2.429 20 10 CECDLP COCC[N@H+](C)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113321313 364887141 /nfs/dbraw/zinc/88/71/41/364887141.db2.gz DSPGJLACJMEFJF-UHFFFAOYSA-N 2 2 286.803 2.104 20 10 CECDLP COCC[N@@H+](C)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113321313 364887152 /nfs/dbraw/zinc/88/71/52/364887152.db2.gz DSPGJLACJMEFJF-UHFFFAOYSA-N 2 2 286.803 2.104 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373911998 /nfs/dbraw/zinc/91/19/98/373911998.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 2 2 290.382 2.447 20 10 CECDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373912003 /nfs/dbraw/zinc/91/20/03/373912003.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 2 2 290.382 2.447 20 10 CECDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297820732 288125398 /nfs/dbraw/zinc/12/53/98/288125398.db2.gz RJVSAKZQPUDJRQ-UGFHNGPFSA-N 2 2 272.392 2.452 20 10 CECDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297820732 288125401 /nfs/dbraw/zinc/12/54/01/288125401.db2.gz RJVSAKZQPUDJRQ-UGFHNGPFSA-N 2 2 272.392 2.452 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000377787131 329029363 /nfs/dbraw/zinc/02/93/63/329029363.db2.gz SDGDJQJRBYHBRA-LBPRGKRZSA-N 2 2 288.370 2.262 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000377787131 329029364 /nfs/dbraw/zinc/02/93/64/329029364.db2.gz SDGDJQJRBYHBRA-LBPRGKRZSA-N 2 2 288.370 2.262 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368220347 526365011 /nfs/dbraw/zinc/36/50/11/526365011.db2.gz FLPPKHIVEULOIV-VIFPVBQESA-N 2 2 277.755 2.416 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368220347 526365016 /nfs/dbraw/zinc/36/50/16/526365016.db2.gz FLPPKHIVEULOIV-VIFPVBQESA-N 2 2 277.755 2.416 20 10 CECDLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902466789 634684114 /nfs/dbraw/zinc/68/41/14/634684114.db2.gz MNWBXYSCJWLVKL-VZZFWQQMSA-N 2 2 264.344 2.465 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941460 633789791 /nfs/dbraw/zinc/78/97/91/633789791.db2.gz JVCWJZCDDNWFIC-SUMWQHHRSA-N 2 2 291.439 2.157 20 10 CECDLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000817943274 633790357 /nfs/dbraw/zinc/79/03/57/633790357.db2.gz TWELOXKFWTWTJZ-DJIMGWMZSA-N 2 2 291.439 2.300 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817968998 633812222 /nfs/dbraw/zinc/81/22/22/633812222.db2.gz OVLWZZJZJJKZPK-SUNKGSAMSA-N 2 2 264.369 2.049 20 10 CECDLP CC(C)([NH3+])CC[NH2+]Cc1cccc(Br)c1O ZINC000903938541 635363741 /nfs/dbraw/zinc/36/37/41/635363741.db2.gz FPUPJSCAZWGIMI-UHFFFAOYSA-N 2 2 287.201 2.372 20 10 CECDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000904462281 635635625 /nfs/dbraw/zinc/63/56/25/635635625.db2.gz SZKKSJNQXPPEGW-GDBMZVCRSA-N 2 2 272.323 2.246 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000835033953 638031706 /nfs/dbraw/zinc/03/17/06/638031706.db2.gz MDDRVPAVMLCBIV-ARJAWSKDSA-N 2 2 270.380 2.252 20 10 CECDLP Cc1cc(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c(Cl)c1 ZINC000841049956 639633568 /nfs/dbraw/zinc/63/35/68/639633568.db2.gz CZVGTKLVPYJDAR-GFCCVEGCSA-N 2 2 254.761 2.181 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057590 639635696 /nfs/dbraw/zinc/63/56/96/639635696.db2.gz AKYCVDOINXCSKC-NOZJJQNGSA-N 2 2 268.788 2.442 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000841085393 639650301 /nfs/dbraw/zinc/65/03/01/639650301.db2.gz AZNXIXKQUNHRFW-INIZCTEOSA-N 2 2 292.423 2.462 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000841085394 639650344 /nfs/dbraw/zinc/65/03/44/639650344.db2.gz AZNXIXKQUNHRFW-MRXNPFEDSA-N 2 2 292.423 2.462 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085632 639652418 /nfs/dbraw/zinc/65/24/18/639652418.db2.gz JBLHXURGLYYNJV-OGZRUICASA-N 2 2 273.424 2.496 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1O ZINC000841091336 639654919 /nfs/dbraw/zinc/65/49/19/639654919.db2.gz VQDVKICDKYCHLY-CYBMUJFWSA-N 2 2 264.369 2.023 20 10 CECDLP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843047497 640252607 /nfs/dbraw/zinc/25/26/07/640252607.db2.gz PZVMNTMZORIINX-SNVBAGLBSA-N 2 2 299.212 2.325 20 10 CECDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843047497 640252612 /nfs/dbraw/zinc/25/26/12/640252612.db2.gz PZVMNTMZORIINX-SNVBAGLBSA-N 2 2 299.212 2.325 20 10 CECDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843053304 640256045 /nfs/dbraw/zinc/25/60/45/640256045.db2.gz UTMMNXVVAASPCV-JTQLQIEISA-N 2 2 254.761 2.087 20 10 CECDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843053304 640256050 /nfs/dbraw/zinc/25/60/50/640256050.db2.gz UTMMNXVVAASPCV-JTQLQIEISA-N 2 2 254.761 2.087 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843057242 640259813 /nfs/dbraw/zinc/25/98/13/640259813.db2.gz HLDLCABARLOYOP-NXEZZACHSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843057242 640259818 /nfs/dbraw/zinc/25/98/18/640259818.db2.gz HLDLCABARLOYOP-NXEZZACHSA-N 2 2 299.212 2.324 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000843368017 640407738 /nfs/dbraw/zinc/40/77/38/640407738.db2.gz KQRWHSYXBXMNFP-UHFFFAOYSA-N 2 2 282.771 2.219 20 10 CECDLP COc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1O ZINC000846136048 641197351 /nfs/dbraw/zinc/19/73/51/641197351.db2.gz GSQPHUDBADYILH-GFCCVEGCSA-N 2 2 275.352 2.338 20 10 CECDLP CCOCc1cc(C[NH2+]C2CC([NH+](C)C)C2)ccc1OC ZINC000848558205 642051714 /nfs/dbraw/zinc/05/17/14/642051714.db2.gz PFJOAFDXAPUZJW-UHFFFAOYSA-N 2 2 292.423 2.414 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1F ZINC000849350139 642340200 /nfs/dbraw/zinc/34/02/00/642340200.db2.gz KZLHJYSOQJOQOR-UHFFFAOYSA-N 2 2 253.365 2.061 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1F ZINC000849350139 642340206 /nfs/dbraw/zinc/34/02/06/642340206.db2.gz KZLHJYSOQJOQOR-UHFFFAOYSA-N 2 2 253.365 2.061 20 10 CECDLP CCO[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922752216 643241239 /nfs/dbraw/zinc/24/12/39/643241239.db2.gz BVPCSFAFOBFPQD-MRXNPFEDSA-N 2 2 292.423 2.068 20 10 CECDLP CCOc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877707153 650862435 /nfs/dbraw/zinc/86/24/35/650862435.db2.gz YCYUEBLSMKJVCF-MRXNPFEDSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC000877707153 650862440 /nfs/dbraw/zinc/86/24/40/650862440.db2.gz YCYUEBLSMKJVCF-MRXNPFEDSA-N 2 2 290.407 2.317 20 10 CECDLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226168 644858039 /nfs/dbraw/zinc/85/80/39/644858039.db2.gz GSDKSPAWYWWTLU-SMDDNHRTSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226168 644858044 /nfs/dbraw/zinc/85/80/44/644858044.db2.gz GSDKSPAWYWWTLU-SMDDNHRTSA-N 2 2 266.772 2.359 20 10 CECDLP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1O ZINC000863542157 646751686 /nfs/dbraw/zinc/75/16/86/646751686.db2.gz SHYTVBWLAIXUOK-CYBMUJFWSA-N 2 2 282.359 2.080 20 10 CECDLP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1O ZINC000863544511 646753136 /nfs/dbraw/zinc/75/31/36/646753136.db2.gz WFVRUOVUKNZILY-ZDUSSCGKSA-N 2 2 286.803 2.322 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880137162 651389528 /nfs/dbraw/zinc/38/95/28/651389528.db2.gz YZSXKGMMSLKUFS-IAGOWNOFSA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880137162 651389530 /nfs/dbraw/zinc/38/95/30/651389530.db2.gz YZSXKGMMSLKUFS-IAGOWNOFSA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880137162 651389532 /nfs/dbraw/zinc/38/95/32/651389532.db2.gz YZSXKGMMSLKUFS-IAGOWNOFSA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880137162 651389533 /nfs/dbraw/zinc/38/95/33/651389533.db2.gz YZSXKGMMSLKUFS-IAGOWNOFSA-N 2 2 273.424 2.421 20 10 CECDLP Oc1cc(Br)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000691478102 807896091 /nfs/dbraw/zinc/89/60/91/807896091.db2.gz VRDZPENPXISWEN-UHFFFAOYSA-N 2 2 296.168 2.141 20 10 CECDLP Oc1ccc(F)cc1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001140056466 816179771 /nfs/dbraw/zinc/17/97/71/816179771.db2.gz YCBRIZCRZGBHDZ-UHFFFAOYSA-N 2 2 264.344 2.201 20 10 CECDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1O ZINC000368103788 373220050 /nfs/dbraw/zinc/22/00/50/373220050.db2.gz YQDCMIRDHZZZIN-ONGXEEELSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1O ZINC000368103788 373220053 /nfs/dbraw/zinc/22/00/53/373220053.db2.gz YQDCMIRDHZZZIN-ONGXEEELSA-N 2 2 275.327 2.463 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]CCn1cc[nH+]c1 ZINC000124663597 394838712 /nfs/dbraw/zinc/83/87/12/394838712.db2.gz MPQMZMRWFWLYRC-UHFFFAOYSA-N 2 2 251.717 2.032 20 10 CECDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124714123 394839852 /nfs/dbraw/zinc/83/98/52/394839852.db2.gz GGILFOQDZPNFER-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc(F)ccc1O ZINC000185142694 262044076 /nfs/dbraw/zinc/04/40/76/262044076.db2.gz HOVKWAVECDYEBU-PWSUYJOCSA-N 2 2 252.333 2.276 20 10 CECDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378937 331307021 /nfs/dbraw/zinc/30/70/21/331307021.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 2 2 278.371 2.447 20 10 CECDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378937 331307022 /nfs/dbraw/zinc/30/70/22/331307022.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378937 331307023 /nfs/dbraw/zinc/30/70/23/331307023.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378937 331307024 /nfs/dbraw/zinc/30/70/24/331307024.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 2 2 278.371 2.447 20 10 CECDLP Oc1ccc(F)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000226583690 333265609 /nfs/dbraw/zinc/26/56/09/333265609.db2.gz GZDJXCLOEXSFDA-UHFFFAOYSA-N 2 2 264.344 2.248 20 10 CECDLP Cc1cccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1O ZINC000311459966 627666828 /nfs/dbraw/zinc/66/68/28/627666828.db2.gz VMPUTNJWVVCCIU-HNNXBMFYSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1O ZINC000311459966 627666829 /nfs/dbraw/zinc/66/68/29/627666829.db2.gz VMPUTNJWVVCCIU-HNNXBMFYSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1O ZINC000925781694 628808273 /nfs/dbraw/zinc/80/82/73/628808273.db2.gz JLSKVYDHOKCDSR-VHSXEESVSA-N 2 2 288.313 2.427 20 10 CECDLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000843127571 631750324 /nfs/dbraw/zinc/75/03/24/631750324.db2.gz DZBQPCRNYCRSFR-JGVFFNPUSA-N 2 2 260.740 2.400 20 10 CECDLP CCO[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)C[NH+](C)C ZINC000926964305 632392888 /nfs/dbraw/zinc/39/28/88/632392888.db2.gz WYDQZNBCEIOSEU-OLZOCXBDSA-N 2 2 296.411 2.018 20 10 CECDLP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817864844 633747031 /nfs/dbraw/zinc/74/70/31/633747031.db2.gz DTTUQGUHFNQYSZ-UHFFFAOYSA-N 2 2 266.772 2.374 20 10 CECDLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817965957 633808359 /nfs/dbraw/zinc/80/83/59/633808359.db2.gz XMPJMWMKSLIYNG-NHCYSSNCSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817974164 633817189 /nfs/dbraw/zinc/81/71/89/633817189.db2.gz ZUIYUXLDBOVXGS-SFYZADRCSA-N 2 2 273.174 2.153 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC2(C)C)c1O ZINC000904462257 635635550 /nfs/dbraw/zinc/63/55/50/635635550.db2.gz PFKYHHAQSQIXKS-LBPRGKRZSA-N 2 2 284.787 2.142 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026517 639620004 /nfs/dbraw/zinc/62/00/04/639620004.db2.gz GLKOTPORZRUGAL-UHFFFAOYSA-N 2 2 258.724 2.026 20 10 CECDLP COc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1O ZINC000841038553 639628805 /nfs/dbraw/zinc/62/88/05/639628805.db2.gz XZEZPZFLJDTAFO-AWEZNQCLSA-N 2 2 272.348 2.190 20 10 CECDLP Cc1ncsc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045787 639631162 /nfs/dbraw/zinc/63/11/62/639631162.db2.gz QBZFNZIFLJWMGL-AWEZNQCLSA-N 2 2 290.436 2.307 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000841054963 639634341 /nfs/dbraw/zinc/63/43/41/639634341.db2.gz IQFICNMGYKHDLG-SECBINFHSA-N 2 2 272.751 2.416 20 10 CECDLP CC[C@H]([NH3+])C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000841072546 639643343 /nfs/dbraw/zinc/64/33/43/639643343.db2.gz PLHBNAUNKWKPHF-JTQLQIEISA-N 2 2 287.201 2.290 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046350 640251513 /nfs/dbraw/zinc/25/15/13/640251513.db2.gz XCUASCRFQZALRG-WFASDCNBSA-N 2 2 278.371 2.495 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046350 640251514 /nfs/dbraw/zinc/25/15/14/640251514.db2.gz XCUASCRFQZALRG-WFASDCNBSA-N 2 2 278.371 2.495 20 10 CECDLP CCC[N@H+](Cc1cc(OCC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000843051753 640254852 /nfs/dbraw/zinc/25/48/52/640254852.db2.gz DCOKBKBIUVVHCI-CQSZACIVSA-N 2 2 278.396 2.365 20 10 CECDLP CCC[N@@H+](Cc1cc(OCC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000843051753 640254855 /nfs/dbraw/zinc/25/48/55/640254855.db2.gz DCOKBKBIUVVHCI-CQSZACIVSA-N 2 2 278.396 2.365 20 10 CECDLP COc1cccc(O)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000843115719 640286111 /nfs/dbraw/zinc/28/61/11/640286111.db2.gz PYZRGOZWCYIPLM-GOEBONIOSA-N 2 2 298.386 2.328 20 10 CECDLP COc1cccc(O)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000843115719 640286118 /nfs/dbraw/zinc/28/61/18/640286118.db2.gz PYZRGOZWCYIPLM-GOEBONIOSA-N 2 2 298.386 2.328 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362451 640404266 /nfs/dbraw/zinc/40/42/66/640404266.db2.gz HJAPJFSFDMGZKO-GXSJLCMTSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362451 640404268 /nfs/dbraw/zinc/40/42/68/640404268.db2.gz HJAPJFSFDMGZKO-GXSJLCMTSA-N 2 2 296.798 2.417 20 10 CECDLP Cc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000877429724 650716581 /nfs/dbraw/zinc/71/65/81/650716581.db2.gz MEJRWFPMFNIPKJ-CYBMUJFWSA-N 2 2 257.337 2.002 20 10 CECDLP COc1cc(O)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000843056760 644766525 /nfs/dbraw/zinc/76/65/25/644766525.db2.gz ZIDVFBBBPFKHMW-ZDUSSCGKSA-N 2 2 296.411 2.215 20 10 CECDLP COc1cc(O)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000843056760 644766537 /nfs/dbraw/zinc/76/65/37/644766537.db2.gz ZIDVFBBBPFKHMW-ZDUSSCGKSA-N 2 2 296.411 2.215 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000858235739 645094622 /nfs/dbraw/zinc/09/46/22/645094622.db2.gz PFQPYLPUCCHEJB-MRXNPFEDSA-N 2 2 292.423 2.416 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC ZINC000858235739 645094626 /nfs/dbraw/zinc/09/46/26/645094626.db2.gz PFQPYLPUCCHEJB-MRXNPFEDSA-N 2 2 292.423 2.416 20 10 CECDLP Cc1[nH+]ccn1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790954911 648463606 /nfs/dbraw/zinc/46/36/06/648463606.db2.gz CCNFIEJYPBGONB-UHFFFAOYSA-N 2 2 283.734 2.479 20 10 CECDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001204800263 806087295 /nfs/dbraw/zinc/08/72/95/806087295.db2.gz APZIZHCGLJUTGP-LBPRGKRZSA-N 2 2 274.286 2.334 20 10 CECDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001204800263 806087303 /nfs/dbraw/zinc/08/73/03/806087303.db2.gz APZIZHCGLJUTGP-LBPRGKRZSA-N 2 2 274.286 2.334 20 10 CECDLP COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000703618853 809671791 /nfs/dbraw/zinc/67/17/91/809671791.db2.gz HEBQHKRRXYJGCU-XHDPSFHLSA-N 2 2 296.798 2.096 20 10 CECDLP COc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000703618853 809671796 /nfs/dbraw/zinc/67/17/96/809671796.db2.gz HEBQHKRRXYJGCU-XHDPSFHLSA-N 2 2 296.798 2.096 20 10 CECDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708440677 809931002 /nfs/dbraw/zinc/93/10/02/809931002.db2.gz DVZMJBPZSPZUCZ-SECBINFHSA-N 2 2 258.312 2.100 20 10 CECDLP C[NH+](C)CCC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142502037 816675648 /nfs/dbraw/zinc/67/56/48/816675648.db2.gz HBGPDMACRGYJFS-UHFFFAOYSA-N 2 2 258.312 2.054 20 10 CECDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142502037 816675652 /nfs/dbraw/zinc/67/56/52/816675652.db2.gz HBGPDMACRGYJFS-UHFFFAOYSA-N 2 2 258.312 2.054 20 10 CECDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1O ZINC000377798502 329030061 /nfs/dbraw/zinc/03/00/61/329030061.db2.gz IZXNWXZAUMYTES-ONGXEEELSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1O ZINC000377798502 329030062 /nfs/dbraw/zinc/03/00/62/329030062.db2.gz IZXNWXZAUMYTES-ONGXEEELSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000041119595 525375417 /nfs/dbraw/zinc/37/54/17/525375417.db2.gz YEUVWZBEMJGYAL-ZDUSSCGKSA-N 2 2 258.369 2.300 20 10 CECDLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000219584745 628812261 /nfs/dbraw/zinc/81/22/61/628812261.db2.gz RLKMCHHWBWCVIU-GXFFZTMASA-N 2 2 252.333 2.233 20 10 CECDLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000219584745 628812265 /nfs/dbraw/zinc/81/22/65/628812265.db2.gz RLKMCHHWBWCVIU-GXFFZTMASA-N 2 2 252.333 2.233 20 10 CECDLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)c2c1c(F)ccc2O ZINC000925784339 628821431 /nfs/dbraw/zinc/82/14/31/628821431.db2.gz MLWVJFXIUPAANK-PKZYVASSSA-N 2 2 264.344 2.277 20 10 CECDLP COc1cc(C)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000894494316 629495352 /nfs/dbraw/zinc/49/53/52/629495352.db2.gz NMQPNUMPWLQHFB-ZDUSSCGKSA-N 2 2 287.363 2.010 20 10 CECDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841744519 631567961 /nfs/dbraw/zinc/56/79/61/631567961.db2.gz IHVAKDHUHVLCOP-WCQYABFASA-N 2 2 298.814 2.153 20 10 CECDLP COc1ccc(N2CCC([NH2+][C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000806169891 631722654 /nfs/dbraw/zinc/72/26/54/631722654.db2.gz SDTAXHPZKRNYTQ-AWEZNQCLSA-N 2 2 291.439 2.204 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841060003 632362853 /nfs/dbraw/zinc/36/28/53/632362853.db2.gz ZWKMTBGBUHCRDR-AYUWKEHRSA-N 2 2 273.424 2.353 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Br)ccc1O ZINC000817945027 633792017 /nfs/dbraw/zinc/79/20/17/633792017.db2.gz RPVJAUBGMIGLKJ-WCBMZHEXSA-N 2 2 285.185 2.167 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C)cc1O ZINC000817975761 633818965 /nfs/dbraw/zinc/81/89/65/633818965.db2.gz BAPUWFBSENIEGH-SGMGOOAPSA-N 2 2 266.360 2.441 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000903465156 635151827 /nfs/dbraw/zinc/15/18/27/635151827.db2.gz DXEURCOZZTXWTE-CQSZACIVSA-N 2 2 292.354 2.108 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1O ZINC000841086466 637518767 /nfs/dbraw/zinc/51/87/67/637518767.db2.gz OGZDGACGZYTTTE-LBPRGKRZSA-N 2 2 284.787 2.284 20 10 CECDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841030529 639622816 /nfs/dbraw/zinc/62/28/16/639622816.db2.gz MKMCBXPARPOERB-NSHDSACASA-N 2 2 260.740 2.258 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000841034529 639626307 /nfs/dbraw/zinc/62/63/07/639626307.db2.gz DYUAUNZHBQVWDV-QTLSWZBMSA-N 2 2 259.397 2.107 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841037079 639628665 /nfs/dbraw/zinc/62/86/65/639628665.db2.gz SDWSJNOODWNJSV-SNVBAGLBSA-N 2 2 254.761 2.135 20 10 CECDLP Cc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057591 639635233 /nfs/dbraw/zinc/63/52/33/639635233.db2.gz AKYCVDOINXCSKC-RNCFNFMXSA-N 2 2 268.788 2.442 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000841059002 639636337 /nfs/dbraw/zinc/63/63/37/639636337.db2.gz IYMWOIFCGALOKD-PBHICJAKSA-N 2 2 273.424 2.374 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000841063241 639638183 /nfs/dbraw/zinc/63/81/83/639638183.db2.gz GUKKFPVJXUEWPP-LDYMZIIASA-N 2 2 272.751 2.272 20 10 CECDLP C[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC[NH2+]1 ZINC000841062128 639638486 /nfs/dbraw/zinc/63/84/86/639638486.db2.gz GIHQKSQVCCJPBI-IUCAKERBSA-N 2 2 272.751 2.415 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000841085411 639650440 /nfs/dbraw/zinc/65/04/40/639650440.db2.gz BJLHKBRTLGWHQK-CQSZACIVSA-N 2 2 264.369 2.021 20 10 CECDLP [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000843056370 640258582 /nfs/dbraw/zinc/25/85/82/640258582.db2.gz HWAFOYYHCOWIMM-UHFFFAOYSA-N 2 2 298.814 2.375 20 10 CECDLP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000843128550 640295177 /nfs/dbraw/zinc/29/51/77/640295177.db2.gz MJJHMBDSBZMSRG-MRXNPFEDSA-N 2 2 272.392 2.386 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@](C)(C[NH3+])C(C)C)c1O ZINC000843355932 640401041 /nfs/dbraw/zinc/40/10/41/640401041.db2.gz NBNNAHNEGAVLMJ-OAHLLOKOSA-N 2 2 282.359 2.197 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)c1O ZINC000843355959 640401683 /nfs/dbraw/zinc/40/16/83/640401683.db2.gz OJSMMLYKAOGSQE-HNNXBMFYSA-N 2 2 296.798 2.465 20 10 CECDLP COc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1O ZINC000846136049 641197852 /nfs/dbraw/zinc/19/78/52/641197852.db2.gz GSQPHUDBADYILH-LBPRGKRZSA-N 2 2 275.352 2.338 20 10 CECDLP COc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000846138214 641198151 /nfs/dbraw/zinc/19/81/51/641198151.db2.gz AAIFZGMXNGWGCO-VXGBXAGGSA-N 2 2 275.352 2.337 20 10 CECDLP CN(C)c1ccc(/C=C\C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000849349685 642340300 /nfs/dbraw/zinc/34/03/00/642340300.db2.gz DXXNTCXXPPQLTQ-SREVYHEPSA-N 2 2 261.413 2.435 20 10 CECDLP CN(C)c1ccc(/C=C\C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000849349685 642340304 /nfs/dbraw/zinc/34/03/04/642340304.db2.gz DXXNTCXXPPQLTQ-SREVYHEPSA-N 2 2 261.413 2.435 20 10 CECDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832299 642705457 /nfs/dbraw/zinc/70/54/57/642705457.db2.gz JJWJUDWQDHLFOL-CZUORRHYSA-N 2 2 274.408 2.441 20 10 CECDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832299 642705463 /nfs/dbraw/zinc/70/54/63/642705463.db2.gz JJWJUDWQDHLFOL-CZUORRHYSA-N 2 2 274.408 2.441 20 10 CECDLP CCO[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)C[NH+](C)C ZINC000922756593 643247134 /nfs/dbraw/zinc/24/71/34/643247134.db2.gz MHWWLFXOYQZCQU-OAHLLOKOSA-N 2 2 280.412 2.060 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000854231985 644018772 /nfs/dbraw/zinc/01/87/72/644018772.db2.gz MOPWINSRVOOAAO-YWVKMMECSA-N 2 2 252.333 2.277 20 10 CECDLP CN(C)c1cc(F)c(C[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000858086198 645055635 /nfs/dbraw/zinc/05/56/35/645055635.db2.gz DGCSOGYKEUZWMM-UHFFFAOYSA-N 2 2 294.349 2.407 20 10 CECDLP C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C[NH2+]1 ZINC000863483506 646739212 /nfs/dbraw/zinc/73/92/12/646739212.db2.gz BVELEQKRXMFBPR-CABZTGNLSA-N 2 2 254.761 2.276 20 10 CECDLP COC1(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCC1 ZINC000863642372 646775189 /nfs/dbraw/zinc/77/51/89/646775189.db2.gz ZUQVVGAIPXVHAT-MRXNPFEDSA-N 2 2 291.439 2.301 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863649316 646776180 /nfs/dbraw/zinc/77/61/80/646776180.db2.gz CEOMLPHMYXJFOD-UKRRQHHQSA-N 2 2 261.413 2.291 20 10 CECDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555133 646964776 /nfs/dbraw/zinc/96/47/76/646964776.db2.gz JSIPDESVBVVJEE-DZGCQCFKSA-N 2 2 298.814 2.153 20 10 CECDLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Cl)ccc1O ZINC000775555133 646964778 /nfs/dbraw/zinc/96/47/78/646964778.db2.gz JSIPDESVBVVJEE-DZGCQCFKSA-N 2 2 298.814 2.153 20 10 CECDLP CCOc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230017 649601087 /nfs/dbraw/zinc/60/10/87/649601087.db2.gz KWGDYYVHESDAQA-ZBFHGGJFSA-N 2 2 276.380 2.165 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1F ZINC000873230055 649601152 /nfs/dbraw/zinc/60/11/52/649601152.db2.gz LPTXTRAYQKUUQJ-HOTGVXAUSA-N 2 2 277.387 2.266 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230754 649602529 /nfs/dbraw/zinc/60/25/29/649602529.db2.gz XRMAKNAPTKPZFV-HIFRSBDPSA-N 2 2 296.798 2.428 20 10 CECDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(O)c1Cl ZINC001205123934 807716793 /nfs/dbraw/zinc/71/67/93/807716793.db2.gz HNQORAFKXUJLEO-NSHDSACASA-N 2 2 284.787 2.367 20 10 CECDLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)c1Cl ZINC001205123934 807716796 /nfs/dbraw/zinc/71/67/96/807716796.db2.gz HNQORAFKXUJLEO-NSHDSACASA-N 2 2 284.787 2.367 20 10 CECDLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000708996693 809939814 /nfs/dbraw/zinc/93/98/14/809939814.db2.gz ZTSDLASBRHPXCY-CYBMUJFWSA-N 2 2 252.333 2.235 20 10 CECDLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000708996693 809939818 /nfs/dbraw/zinc/93/98/18/809939818.db2.gz ZTSDLASBRHPXCY-CYBMUJFWSA-N 2 2 252.333 2.235 20 10 CECDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708559294 809945399 /nfs/dbraw/zinc/94/53/99/809945399.db2.gz ODOUXTNIOFZLGV-NSHDSACASA-N 2 2 284.350 2.490 20 10 CECDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708559294 809945401 /nfs/dbraw/zinc/94/54/01/809945401.db2.gz ODOUXTNIOFZLGV-NSHDSACASA-N 2 2 284.350 2.490 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1[NH3+] ZINC001206053367 812472011 /nfs/dbraw/zinc/47/20/11/812472011.db2.gz SRJDPJXLRWLIJL-CZUORRHYSA-N 2 2 259.397 2.066 20 10 CECDLP C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1[NH3+] ZINC001206053367 812472009 /nfs/dbraw/zinc/47/20/09/812472009.db2.gz SRJDPJXLRWLIJL-CZUORRHYSA-N 2 2 259.397 2.066 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530214225 380197417 /nfs/dbraw/zinc/19/74/17/380197417.db2.gz CKXUUNZAUCCEMF-ABAIWWIYSA-N 2 2 276.380 2.336 20 10 CECDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543654 395023511 /nfs/dbraw/zinc/02/35/11/395023511.db2.gz YIEXUBCFTFDDTM-XJKSGUPXSA-N 2 2 261.413 2.497 20 10 CECDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543654 395023514 /nfs/dbraw/zinc/02/35/14/395023514.db2.gz YIEXUBCFTFDDTM-XJKSGUPXSA-N 2 2 261.413 2.497 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C2CC[NH+](C)CC2)c1O ZINC000228669903 329059003 /nfs/dbraw/zinc/05/90/03/329059003.db2.gz RZFJCTHOQDNBLO-UHFFFAOYSA-N 2 2 284.787 2.238 20 10 CECDLP CCCOc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)c(O)c1 ZINC000368045278 520350001 /nfs/dbraw/zinc/35/00/01/520350001.db2.gz VJEWKQUJGRTEHJ-UHFFFAOYSA-N 2 2 290.407 2.461 20 10 CECDLP CCCOc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)c(O)c1 ZINC000368045278 520350007 /nfs/dbraw/zinc/35/00/07/520350007.db2.gz VJEWKQUJGRTEHJ-UHFFFAOYSA-N 2 2 290.407 2.461 20 10 CECDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2c(O)cccc2F)CC1(C)C ZINC000896638456 630622099 /nfs/dbraw/zinc/62/20/99/630622099.db2.gz BVTWBVCJTNNGGZ-LLVKDONJSA-N 2 2 266.360 2.494 20 10 CECDLP C[N@H+]1CC[C@@H]([NH2+]Cc2c(O)cccc2F)CC1(C)C ZINC000896638456 630622102 /nfs/dbraw/zinc/62/21/02/630622102.db2.gz BVTWBVCJTNNGGZ-LLVKDONJSA-N 2 2 266.360 2.494 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000841033266 631821001 /nfs/dbraw/zinc/82/10/01/631821001.db2.gz MGTODXOFZSMLME-OGZRUICASA-N 2 2 273.424 2.498 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1OC ZINC000841065032 632401607 /nfs/dbraw/zinc/40/16/07/632401607.db2.gz LJGMVSVGUTZTKO-CZUORRHYSA-N 2 2 292.423 2.462 20 10 CECDLP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1O ZINC000817944988 633792076 /nfs/dbraw/zinc/79/20/76/633792076.db2.gz QUYBGIWGOTXVMP-MWLCHTKSSA-N 2 2 299.212 2.476 20 10 CECDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817959430 633801615 /nfs/dbraw/zinc/80/16/15/633801615.db2.gz FWPAWXKWAIFRKX-UFBFGSQYSA-N 2 2 254.761 2.434 20 10 CECDLP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817964549 633806971 /nfs/dbraw/zinc/80/69/71/633806971.db2.gz CHXNDYQYBPDYRH-QWHCGFSZSA-N 2 2 252.333 2.309 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc(F)ccc1O ZINC000817967858 633810592 /nfs/dbraw/zinc/81/05/92/633810592.db2.gz CUQOZQLSCURHAT-OUJBWJOFSA-N 2 2 252.333 2.180 20 10 CECDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(O)c1 ZINC000817976422 633819850 /nfs/dbraw/zinc/81/98/50/633819850.db2.gz LVBVKULVVBKKOG-WOPDTQHZSA-N 2 2 252.333 2.051 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc2ccccc2c1O ZINC000817983948 633827569 /nfs/dbraw/zinc/82/75/69/633827569.db2.gz SFDIYOHILYMPNX-OCCSQVGLSA-N 2 2 286.375 2.184 20 10 CECDLP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000841035266 639627615 /nfs/dbraw/zinc/62/76/15/639627615.db2.gz JLRMFPCALQHVDY-HNNXBMFYSA-N 2 2 261.413 2.374 20 10 CECDLP CC[NH2+]CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841037695 639628541 /nfs/dbraw/zinc/62/85/41/639628541.db2.gz SGDWYTYPESMDPR-UHFFFAOYSA-N 2 2 261.413 2.376 20 10 CECDLP C[N@H+](Cc1cccc(Br)c1O)C1CC([NH3+])C1 ZINC000843124793 640291257 /nfs/dbraw/zinc/29/12/57/640291257.db2.gz GSANLAOADZHNEW-UHFFFAOYSA-N 2 2 285.185 2.076 20 10 CECDLP C[N@@H+](Cc1cccc(Br)c1O)C1CC([NH3+])C1 ZINC000843124793 640291260 /nfs/dbraw/zinc/29/12/60/640291260.db2.gz GSANLAOADZHNEW-UHFFFAOYSA-N 2 2 285.185 2.076 20 10 CECDLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000843129056 640295423 /nfs/dbraw/zinc/29/54/23/640295423.db2.gz LYMHNQONIDBXFC-SFYZADRCSA-N 2 2 260.740 2.400 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)(C)C[NH3+])c1O ZINC000843355236 640401317 /nfs/dbraw/zinc/40/13/17/640401317.db2.gz NQLFNGGLRICIMP-UHFFFAOYSA-N 2 2 282.359 2.151 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+](C)CC(C)(C)C[NH3+])c1O ZINC000843355236 640401321 /nfs/dbraw/zinc/40/13/21/640401321.db2.gz NQLFNGGLRICIMP-UHFFFAOYSA-N 2 2 282.359 2.151 20 10 CECDLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1O ZINC000846168447 641210850 /nfs/dbraw/zinc/21/08/50/641210850.db2.gz CTWQEYUAUZGJIG-GHMZBOCLSA-N 2 2 287.363 2.332 20 10 CECDLP CCOCc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863485020 646740679 /nfs/dbraw/zinc/74/06/79/646740679.db2.gz RMAWKRICZOOXKB-CZUORRHYSA-N 2 2 292.423 2.462 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545726 646752812 /nfs/dbraw/zinc/75/28/12/646752812.db2.gz GZHHHVJMLBJENS-FOGDFJRCSA-N 2 2 252.333 2.322 20 10 CECDLP C[NH+]1CCN(c2ccc(CNc3cccc[nH+]3)cc2)CC1 ZINC000777507021 647143008 /nfs/dbraw/zinc/14/30/08/647143008.db2.gz MEMMNUNPVPEFKM-UHFFFAOYSA-N 2 2 282.391 2.446 20 10 CECDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC000873226932 649598836 /nfs/dbraw/zinc/59/88/36/649598836.db2.gz ABMHWWKKIKRCJB-ZJUUUORDSA-N 2 2 292.276 2.100 20 10 CECDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC000873226932 649598842 /nfs/dbraw/zinc/59/88/42/649598842.db2.gz ABMHWWKKIKRCJB-ZJUUUORDSA-N 2 2 292.276 2.100 20 10 CECDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140468608 802964696 /nfs/dbraw/zinc/96/46/96/802964696.db2.gz QHMQJTMKJKTZLQ-STQMWFEESA-N 2 2 280.799 2.429 20 10 CECDLP C[N@H+](Cc1cc(Cl)ccc1O)C1(C[NH3+])CCC1 ZINC000385205897 813130543 /nfs/dbraw/zinc/13/05/43/813130543.db2.gz OYKFXULPRXNFFT-UHFFFAOYSA-N 2 2 254.761 2.359 20 10 CECDLP C[N@@H+](Cc1cc(Cl)ccc1O)C1(C[NH3+])CCC1 ZINC000385205897 813130550 /nfs/dbraw/zinc/13/05/50/813130550.db2.gz OYKFXULPRXNFFT-UHFFFAOYSA-N 2 2 254.761 2.359 20 10 CECDLP Cc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)c(O)c1 ZINC001140953560 816424640 /nfs/dbraw/zinc/42/46/40/816424640.db2.gz BORHJTIVDKYPQG-UHFFFAOYSA-N 2 2 260.381 2.371 20 10 CECDLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)cc1O ZINC000062745787 296114753 /nfs/dbraw/zinc/11/47/53/296114753.db2.gz OTBPMEROWZAUEQ-SNVBAGLBSA-N 2 2 252.333 2.276 20 10 CECDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000180196469 368371812 /nfs/dbraw/zinc/37/18/12/368371812.db2.gz NFFSJWFTAWWQTR-FZMZJTMJSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000180196469 368371816 /nfs/dbraw/zinc/37/18/16/368371816.db2.gz NFFSJWFTAWWQTR-FZMZJTMJSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196469 368371819 /nfs/dbraw/zinc/37/18/19/368371819.db2.gz NFFSJWFTAWWQTR-FZMZJTMJSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196469 368371821 /nfs/dbraw/zinc/37/18/21/368371821.db2.gz NFFSJWFTAWWQTR-FZMZJTMJSA-N 2 2 266.360 2.446 20 10 CECDLP C[N@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000271765109 373200313 /nfs/dbraw/zinc/20/03/13/373200313.db2.gz AGEJTFQPCFRLOO-UHFFFAOYSA-N 2 2 266.772 2.397 20 10 CECDLP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000271765109 373200325 /nfs/dbraw/zinc/20/03/25/373200325.db2.gz AGEJTFQPCFRLOO-UHFFFAOYSA-N 2 2 266.772 2.397 20 10 CECDLP COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1O ZINC000368493997 373242137 /nfs/dbraw/zinc/24/21/37/373242137.db2.gz DMIYJYIKYYDDJI-UHFFFAOYSA-N 2 2 287.363 2.223 20 10 CECDLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000273468008 373760475 /nfs/dbraw/zinc/76/04/75/373760475.db2.gz FEZIRDBPSLDXGN-SNVBAGLBSA-N 2 2 263.316 2.387 20 10 CECDLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530177592 380196275 /nfs/dbraw/zinc/19/62/75/380196275.db2.gz KQYTYQRTVTYHNJ-OAHLLOKOSA-N 2 2 260.381 2.378 20 10 CECDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1O ZINC000185116052 262041993 /nfs/dbraw/zinc/04/19/93/262041993.db2.gz FHNKEJXAULLFCB-LBPRGKRZSA-N 2 2 296.386 2.029 20 10 CECDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617557 524960795 /nfs/dbraw/zinc/96/07/95/524960795.db2.gz GNYIBNMUYZJYDL-QWRGUYRKSA-N 2 2 263.316 2.467 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC[C@@H]1[NH3+] ZINC000220184763 628823425 /nfs/dbraw/zinc/82/34/25/628823425.db2.gz IZVLXPOCYRRLKS-SKDRFNHKSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1[NH3+] ZINC000220184763 628823430 /nfs/dbraw/zinc/82/34/30/628823430.db2.gz IZVLXPOCYRRLKS-SKDRFNHKSA-N 2 2 299.212 2.324 20 10 CECDLP CCO[C@H](C[NH2+]Cc1cccc(CC)c1O)C[NH+](C)C ZINC000896877610 630698786 /nfs/dbraw/zinc/69/87/86/630698786.db2.gz KXDPCXSAHPGPPL-OAHLLOKOSA-N 2 2 280.412 2.011 20 10 CECDLP Oc1c(Br)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057107 632360068 /nfs/dbraw/zinc/36/00/68/632360068.db2.gz IFHICYLWECCJBL-NSHDSACASA-N 2 2 299.212 2.386 20 10 CECDLP CN(C)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1F ZINC000817865508 633746965 /nfs/dbraw/zinc/74/69/65/633746965.db2.gz JPJAHQSVAYNSAN-UHFFFAOYSA-N 2 2 277.387 2.220 20 10 CECDLP CC[C@H]([NH2+]CC[NH3+])c1ccc(C(F)(F)F)cc1O ZINC000817934670 633787136 /nfs/dbraw/zinc/78/71/36/633787136.db2.gz AKUFHYVWDLXZSM-JTQLQIEISA-N 2 2 262.275 2.410 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940883 633790134 /nfs/dbraw/zinc/79/01/34/633790134.db2.gz LWGVLZUMHYQXIA-AVRGHOLYSA-N 2 2 261.413 2.387 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951950 633795758 /nfs/dbraw/zinc/79/57/58/633795758.db2.gz BRSSXYRFPFPCGX-SKDRFNHKSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817955559 633800206 /nfs/dbraw/zinc/80/02/06/633800206.db2.gz YUBWLQLWILUYQT-ZJUUUORDSA-N 2 2 270.323 2.321 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000817968703 633812268 /nfs/dbraw/zinc/81/22/68/633812268.db2.gz WFRCLRFWKARZHN-WWGRRREGSA-N 2 2 261.413 2.401 20 10 CECDLP Cc1cc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)ccc1N(C)C ZINC000903872292 635320832 /nfs/dbraw/zinc/32/08/32/635320832.db2.gz YPKIESHXSJMPGX-KRWDZBQOSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)ccc1N(C)C ZINC000903872292 635320838 /nfs/dbraw/zinc/32/08/38/635320838.db2.gz YPKIESHXSJMPGX-KRWDZBQOSA-N 2 2 273.424 2.389 20 10 CECDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904357793 635590078 /nfs/dbraw/zinc/59/00/78/635590078.db2.gz BHZNGWFLWOKRTF-OAHLLOKOSA-N 2 2 260.381 2.242 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000904430404 635625306 /nfs/dbraw/zinc/62/53/06/635625306.db2.gz IALOQQIXHJOTGR-MRXNPFEDSA-N 2 2 260.381 2.419 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000904430404 635625310 /nfs/dbraw/zinc/62/53/10/635625310.db2.gz IALOQQIXHJOTGR-MRXNPFEDSA-N 2 2 260.381 2.419 20 10 CECDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1O ZINC000904462629 635635348 /nfs/dbraw/zinc/63/53/48/635635348.db2.gz XTVGOVJOYCPDQS-GDBMZVCRSA-N 2 2 254.333 2.107 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000841089414 637709846 /nfs/dbraw/zinc/70/98/46/637709846.db2.gz HBYWYOXMCQYTQZ-LBPRGKRZSA-N 2 2 284.787 2.286 20 10 CECDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841030528 639622375 /nfs/dbraw/zinc/62/23/75/639622375.db2.gz MKMCBXPARPOERB-LLVKDONJSA-N 2 2 260.740 2.258 20 10 CECDLP Cc1cc(O)c(C[NH2+]C[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000841031850 639623676 /nfs/dbraw/zinc/62/36/76/639623676.db2.gz ZHOPUDYCFDKUPA-GFCCVEGCSA-N 2 2 256.777 2.427 20 10 CECDLP Cc1cc(O)c(C[NH2+]C[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000841031851 639623983 /nfs/dbraw/zinc/62/39/83/639623983.db2.gz ZHOPUDYCFDKUPA-LBPRGKRZSA-N 2 2 256.777 2.427 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CC[NH2+]1 ZINC000841061543 639638471 /nfs/dbraw/zinc/63/84/71/639638471.db2.gz JYCXQJKCLMUKCL-MWLCHTKSSA-N 2 2 299.212 2.385 20 10 CECDLP [NH3+]C[C@@H]([NH2+]Cc1cccc(F)c1O)C1CCCC1 ZINC000841085745 639652230 /nfs/dbraw/zinc/65/22/30/639652230.db2.gz CGJMLPZXOJZSCH-CYBMUJFWSA-N 2 2 252.333 2.138 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC000841105674 639677617 /nfs/dbraw/zinc/67/76/17/639677617.db2.gz XUFXHXAXFHYEDW-INIZCTEOSA-N 2 2 260.381 2.337 20 10 CECDLP Cc1cc(O)c(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC000841105674 639677700 /nfs/dbraw/zinc/67/77/00/639677700.db2.gz XUFXHXAXFHYEDW-INIZCTEOSA-N 2 2 260.381 2.337 20 10 CECDLP Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)C[NH3+])c1O ZINC000843051918 640254475 /nfs/dbraw/zinc/25/44/75/640254475.db2.gz MHBZZOMPZOLNQF-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)cc(C[N@H+](C)[C@H](C)C[NH3+])c1O ZINC000843051918 640254477 /nfs/dbraw/zinc/25/44/77/640254477.db2.gz MHBZZOMPZOLNQF-SECBINFHSA-N 2 2 287.201 2.242 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843353952 640400309 /nfs/dbraw/zinc/40/03/09/640400309.db2.gz RUQGEWPQYLFFLR-CMPLNLGQSA-N 2 2 294.370 2.293 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843353952 640400314 /nfs/dbraw/zinc/40/03/14/640400314.db2.gz RUQGEWPQYLFFLR-CMPLNLGQSA-N 2 2 294.370 2.293 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(C[NH3+])C2CC2)c1O ZINC000843355960 640401476 /nfs/dbraw/zinc/40/14/76/640401476.db2.gz OJSMMLYKAOGSQE-OAHLLOKOSA-N 2 2 296.798 2.465 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843362452 640404392 /nfs/dbraw/zinc/40/43/92/640404392.db2.gz HJAPJFSFDMGZKO-KOLCDFICSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843362452 640404395 /nfs/dbraw/zinc/40/43/95/640404395.db2.gz HJAPJFSFDMGZKO-KOLCDFICSA-N 2 2 296.798 2.417 20 10 CECDLP Cc1[nH+]cc(C[NH2+]CCCSc2nccs2)n1C ZINC000850143996 642593117 /nfs/dbraw/zinc/59/31/17/642593117.db2.gz HNULDTJXLFHZLI-UHFFFAOYSA-N 2 2 282.438 2.457 20 10 CECDLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921832297 642705157 /nfs/dbraw/zinc/70/51/57/642705157.db2.gz JJWJUDWQDHLFOL-BBRMVZONSA-N 2 2 274.408 2.441 20 10 CECDLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921832297 642705159 /nfs/dbraw/zinc/70/51/59/642705159.db2.gz JJWJUDWQDHLFOL-BBRMVZONSA-N 2 2 274.408 2.441 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058486 644773196 /nfs/dbraw/zinc/77/31/96/644773196.db2.gz UIAHEKIYZLQXAF-VHSXEESVSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843058486 644773201 /nfs/dbraw/zinc/77/32/01/644773201.db2.gz UIAHEKIYZLQXAF-VHSXEESVSA-N 2 2 254.761 2.215 20 10 CECDLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858100039 645060561 /nfs/dbraw/zinc/06/05/61/645060561.db2.gz HLTDAFKAFYSOHR-LBPRGKRZSA-N 2 2 297.393 2.462 20 10 CECDLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858100039 645060566 /nfs/dbraw/zinc/06/05/66/645060566.db2.gz HLTDAFKAFYSOHR-LBPRGKRZSA-N 2 2 297.393 2.462 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000020506221 649790237 /nfs/dbraw/zinc/79/02/37/649790237.db2.gz RBELSKAVXFANMF-GFCCVEGCSA-N 2 2 275.352 2.338 20 10 CECDLP C[C@]1([NH3+])CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204782466 805952417 /nfs/dbraw/zinc/95/24/17/805952417.db2.gz FJBZUAJJBSFFPT-SFHVURJKSA-N 2 2 285.435 2.309 20 10 CECDLP C[C@]1([NH3+])CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204782466 805952422 /nfs/dbraw/zinc/95/24/22/805952422.db2.gz FJBZUAJJBSFFPT-SFHVURJKSA-N 2 2 285.435 2.309 20 10 CECDLP Oc1ccc(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001141161505 816492203 /nfs/dbraw/zinc/49/22/03/816492203.db2.gz SIJIWSQVPVEVJV-UHFFFAOYSA-N 2 2 273.336 2.131 20 10 CECDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(OC)ccc1O ZINC000180697502 368393945 /nfs/dbraw/zinc/39/39/45/368393945.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(OC)ccc1O ZINC000180697502 368393950 /nfs/dbraw/zinc/39/39/50/368393950.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)ccc1O ZINC000180697502 368393953 /nfs/dbraw/zinc/39/39/53/368393953.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)ccc1O ZINC000180697502 368393956 /nfs/dbraw/zinc/39/39/56/368393956.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 2 2 290.407 2.459 20 10 CECDLP C[C@H](C[NH2+][C@@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000183522703 395259672 /nfs/dbraw/zinc/25/96/72/395259672.db2.gz PFXKCNJYRUBJLJ-KGLIPLIRSA-N 2 2 278.396 2.011 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000020126893 171011769 /nfs/dbraw/zinc/01/17/69/171011769.db2.gz GZGYILQXFZUZAC-GFCCVEGCSA-N 2 2 264.369 2.147 20 10 CECDLP CCOc1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1O ZINC000367667326 267107054 /nfs/dbraw/zinc/10/70/54/267107054.db2.gz OJQISPSWVWOUSA-UHFFFAOYSA-N 2 2 276.380 2.071 20 10 CECDLP CCOc1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1O ZINC000367667326 267107055 /nfs/dbraw/zinc/10/70/55/267107055.db2.gz OJQISPSWVWOUSA-UHFFFAOYSA-N 2 2 276.380 2.071 20 10 CECDLP Oc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376729105 268012085 /nfs/dbraw/zinc/01/20/85/268012085.db2.gz OAGTXPNLCRKYEU-UHFFFAOYSA-N 2 2 257.337 2.215 20 10 CECDLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)c2c1c(F)ccc2O ZINC000902406127 634620952 /nfs/dbraw/zinc/62/09/52/634620952.db2.gz LTSKDBWQBAQYGC-WPRPVWTQSA-N 2 2 250.317 2.161 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448066 634671396 /nfs/dbraw/zinc/67/13/96/634671396.db2.gz XNAGISPLYRTMEW-SWLSCSKDSA-N 2 2 261.413 2.401 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000841032515 631819148 /nfs/dbraw/zinc/81/91/48/631819148.db2.gz FZSDGXQXNYBBBM-INIZCTEOSA-N 2 2 292.423 2.463 20 10 CECDLP [NH3+][C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000841036852 631981987 /nfs/dbraw/zinc/98/19/87/631981987.db2.gz NLAHDSUWSRRKAW-MRXNPFEDSA-N 2 2 268.360 2.411 20 10 CECDLP CCO[C@H](C[NH2+][C@H](CC)c1ccccc1O)C[NH+](C)C ZINC000926958248 632385190 /nfs/dbraw/zinc/38/51/90/632385190.db2.gz FIBNYHLDSLSSCY-UKRRQHHQSA-N 2 2 280.412 2.400 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Br)cc1O ZINC000817944902 633792097 /nfs/dbraw/zinc/79/20/97/633792097.db2.gz OSXWHUNMVTXRJR-WCBMZHEXSA-N 2 2 285.185 2.167 20 10 CECDLP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952022 633796280 /nfs/dbraw/zinc/79/62/80/633796280.db2.gz MVESDTPSQWGSNJ-MWLCHTKSSA-N 2 2 252.333 2.279 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1O ZINC000817964530 633806852 /nfs/dbraw/zinc/80/68/52/633806852.db2.gz BZXGQFBYDDZJLN-JMCQJSRRSA-N 2 2 256.296 2.058 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000817974162 633816549 /nfs/dbraw/zinc/81/65/49/633816549.db2.gz ZUIYUXLDBOVXGS-HTQZYQBOSA-N 2 2 273.174 2.153 20 10 CECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818614614 633960556 /nfs/dbraw/zinc/96/05/56/633960556.db2.gz CWTUEICNTKVSLR-LERXQTSPSA-N 2 2 292.379 2.099 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903873860 635321584 /nfs/dbraw/zinc/32/15/84/635321584.db2.gz MWFKRSFGRDIDBV-GFCCVEGCSA-N 2 2 271.355 2.167 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903873860 635321588 /nfs/dbraw/zinc/32/15/88/635321588.db2.gz MWFKRSFGRDIDBV-GFCCVEGCSA-N 2 2 271.355 2.167 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000903966789 635399565 /nfs/dbraw/zinc/39/95/65/635399565.db2.gz CHSIMNHPFWPCCX-BDAKNGLRSA-N 2 2 272.751 2.130 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904355010 635586647 /nfs/dbraw/zinc/58/66/47/635586647.db2.gz JSYYZLDTDMWJMZ-DOMZBBRYSA-N 2 2 260.381 2.099 20 10 CECDLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000904465332 635636868 /nfs/dbraw/zinc/63/68/68/635636868.db2.gz ZJUMZGVTTZLGIX-LBPRGKRZSA-N 2 2 299.212 2.242 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000835038921 638034094 /nfs/dbraw/zinc/03/40/94/638034094.db2.gz ZQHWQBKPEHHXSG-AATOQMJSSA-N 2 2 273.424 2.450 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000835038921 638034099 /nfs/dbraw/zinc/03/40/99/638034099.db2.gz ZQHWQBKPEHHXSG-AATOQMJSSA-N 2 2 273.424 2.450 20 10 CECDLP C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)[NH+](C)C ZINC000835042823 638034892 /nfs/dbraw/zinc/03/48/92/638034892.db2.gz MJCSWIYGSXDECO-PSKZRQQASA-N 2 2 261.413 2.306 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000841033382 639625418 /nfs/dbraw/zinc/62/54/18/639625418.db2.gz SKCFCNYLJAQWLA-LBPRGKRZSA-N 2 2 284.787 2.286 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CC[NH2+]1 ZINC000841061542 639638051 /nfs/dbraw/zinc/63/80/51/639638051.db2.gz JYCXQJKCLMUKCL-KOLCDFICSA-N 2 2 299.212 2.385 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841064878 639640863 /nfs/dbraw/zinc/64/08/63/639640863.db2.gz VMOPNNGJTDHWOV-PRHODGIISA-N 2 2 272.751 2.272 20 10 CECDLP C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000841079978 639648036 /nfs/dbraw/zinc/64/80/36/639648036.db2.gz MLHRTMCFBLYDAY-MRVPVSSYSA-N 2 2 260.740 2.402 20 10 CECDLP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000841084652 639650638 /nfs/dbraw/zinc/65/06/38/639650638.db2.gz MNQSMHHSVMEDJH-KCJUWKMLSA-N 2 2 272.751 2.402 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1O ZINC000842475940 640075639 /nfs/dbraw/zinc/07/56/39/640075639.db2.gz YLILSJNXVUIAFE-CYBMUJFWSA-N 2 2 282.359 2.197 20 10 CECDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1O ZINC000843057873 640259548 /nfs/dbraw/zinc/25/95/48/640259548.db2.gz NFFQESDXLDGPEL-UWVGGRQHSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1O ZINC000843057873 640259550 /nfs/dbraw/zinc/25/95/50/640259550.db2.gz NFFQESDXLDGPEL-UWVGGRQHSA-N 2 2 299.212 2.324 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843364441 640405313 /nfs/dbraw/zinc/40/53/13/640405313.db2.gz IGBOMRCSZSTVJL-GXSJLCMTSA-N 2 2 296.798 2.417 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843364441 640405314 /nfs/dbraw/zinc/40/53/14/640405314.db2.gz IGBOMRCSZSTVJL-GXSJLCMTSA-N 2 2 296.798 2.417 20 10 CECDLP COc1cccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000846162246 641208110 /nfs/dbraw/zinc/20/81/10/641208110.db2.gz CGFOPBWEZALINY-RYUDHWBXSA-N 2 2 287.363 2.263 20 10 CECDLP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000849350307 642340854 /nfs/dbraw/zinc/34/08/54/642340854.db2.gz XLVGCZMTRFUMTD-UHFFFAOYSA-N 2 2 254.761 2.407 20 10 CECDLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000922140251 642902072 /nfs/dbraw/zinc/90/20/72/642902072.db2.gz VIETYSGFMXPGIU-CQSZACIVSA-N 2 2 283.375 2.382 20 10 CECDLP CCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(O)c1 ZINC000778187715 647206941 /nfs/dbraw/zinc/20/69/41/647206941.db2.gz KUAMRUOMOWCGAL-CYBMUJFWSA-N 2 2 287.363 2.092 20 10 CECDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001140468607 802964863 /nfs/dbraw/zinc/96/48/63/802964863.db2.gz QHMQJTMKJKTZLQ-CHWSQXEVSA-N 2 2 280.799 2.429 20 10 CECDLP Cc1[nH+]ccn1CC[NH2+]Cc1c(O)cccc1Cl ZINC000385279894 813131913 /nfs/dbraw/zinc/13/19/13/813131913.db2.gz RSEIRWAFYNEFEA-UHFFFAOYSA-N 2 2 265.744 2.340 20 10 CECDLP COc1cc(C[N@@H+]2CCC[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139257173 815996932 /nfs/dbraw/zinc/99/69/32/815996932.db2.gz UICPIGWUNRXMCP-AWEZNQCLSA-N 2 2 296.386 2.396 20 10 CECDLP COc1cc(C[N@H+]2CCC[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139257173 815996936 /nfs/dbraw/zinc/99/69/36/815996936.db2.gz UICPIGWUNRXMCP-AWEZNQCLSA-N 2 2 296.386 2.396 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001140623770 816306758 /nfs/dbraw/zinc/30/67/58/816306758.db2.gz QRJMNBCNKFCQAD-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001140623770 816306765 /nfs/dbraw/zinc/30/67/65/816306765.db2.gz QRJMNBCNKFCQAD-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001140623770 816306769 /nfs/dbraw/zinc/30/67/69/816306769.db2.gz QRJMNBCNKFCQAD-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001140623770 816306776 /nfs/dbraw/zinc/30/67/76/816306776.db2.gz QRJMNBCNKFCQAD-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP COc1ccc(O)c(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000179670031 368346617 /nfs/dbraw/zinc/34/66/17/368346617.db2.gz CPQHRRKDVVSQDT-UHFFFAOYSA-N 2 2 290.407 2.461 20 10 CECDLP CCOc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272700958 373621785 /nfs/dbraw/zinc/62/17/85/373621785.db2.gz YQMGXUFWANMAGS-ZFWWWQNUSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1O ZINC000272700958 373621791 /nfs/dbraw/zinc/62/17/91/373621791.db2.gz YQMGXUFWANMAGS-ZFWWWQNUSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1O ZINC000272700958 373621795 /nfs/dbraw/zinc/62/17/95/373621795.db2.gz YQMGXUFWANMAGS-ZFWWWQNUSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1O ZINC000272700958 373621801 /nfs/dbraw/zinc/62/18/01/373621801.db2.gz YQMGXUFWANMAGS-ZFWWWQNUSA-N 2 2 290.407 2.317 20 10 CECDLP COc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000368134289 394979620 /nfs/dbraw/zinc/97/96/20/394979620.db2.gz LOZWOGXCEDREFR-CYBMUJFWSA-N 2 2 287.363 2.124 20 10 CECDLP COc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000368134289 394979623 /nfs/dbraw/zinc/97/96/23/394979623.db2.gz LOZWOGXCEDREFR-CYBMUJFWSA-N 2 2 287.363 2.124 20 10 CECDLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000183522681 395258872 /nfs/dbraw/zinc/25/88/72/395258872.db2.gz PFXKCNJYRUBJLJ-KBPBESRZSA-N 2 2 278.396 2.011 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000798958493 630957242 /nfs/dbraw/zinc/95/72/42/630957242.db2.gz ZESOPGAYQIKLAC-UHFFFAOYSA-N 2 2 278.396 2.319 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000798958493 630957247 /nfs/dbraw/zinc/95/72/47/630957247.db2.gz ZESOPGAYQIKLAC-UHFFFAOYSA-N 2 2 278.396 2.319 20 10 CECDLP COCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943504 633790990 /nfs/dbraw/zinc/79/09/90/633790990.db2.gz URNJIFYSOSYXLT-XJKSGUPXSA-N 2 2 279.428 2.157 20 10 CECDLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000817951975 633795931 /nfs/dbraw/zinc/79/59/31/633795931.db2.gz MBZVARDEHAAEEN-SECBINFHSA-N 2 2 287.201 2.415 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952542 633796941 /nfs/dbraw/zinc/79/69/41/633796941.db2.gz RMZBOPIPBXVTON-ONGXEEELSA-N 2 2 254.761 2.448 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970790 633813147 /nfs/dbraw/zinc/81/31/47/633813147.db2.gz FGUSPROIMKEUEN-NEPJUHHUSA-N 2 2 297.830 2.174 20 10 CECDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974207 633817709 /nfs/dbraw/zinc/81/77/09/633817709.db2.gz JKIWGHGFFOIEOQ-PBHICJAKSA-N 2 2 291.439 2.172 20 10 CECDLP COC[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975888 633818191 /nfs/dbraw/zinc/81/81/91/633818191.db2.gz ZFQJCUFJJWNQEJ-IAQYHMDHSA-N 2 2 298.814 2.465 20 10 CECDLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904431292 635625507 /nfs/dbraw/zinc/62/55/07/635625507.db2.gz QZYWKAZZTRBMPW-INIZCTEOSA-N 2 2 260.381 2.419 20 10 CECDLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904431292 635625511 /nfs/dbraw/zinc/62/55/11/635625511.db2.gz QZYWKAZZTRBMPW-INIZCTEOSA-N 2 2 260.381 2.419 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841027052 639620480 /nfs/dbraw/zinc/62/04/80/639620480.db2.gz JJKTZMOGHOZPHJ-DZGCQCFKSA-N 2 2 260.381 2.193 20 10 CECDLP Cc1cc(O)c(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841027052 639620483 /nfs/dbraw/zinc/62/04/83/639620483.db2.gz JJKTZMOGHOZPHJ-DZGCQCFKSA-N 2 2 260.381 2.193 20 10 CECDLP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(O)c1 ZINC000841033621 639627040 /nfs/dbraw/zinc/62/70/40/639627040.db2.gz XXIJLLUYCWBVPJ-ZDUSSCGKSA-N 2 2 264.369 2.023 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841037075 639629027 /nfs/dbraw/zinc/62/90/27/639629027.db2.gz SDWSJNOODWNJSV-JTQLQIEISA-N 2 2 254.761 2.135 20 10 CECDLP Cc1ncccc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043347 639630176 /nfs/dbraw/zinc/63/01/76/639630176.db2.gz OASZZPLVPHMHOL-QGZVFWFLSA-N 2 2 284.407 2.246 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(O)c2)cc1 ZINC000841044626 639631038 /nfs/dbraw/zinc/63/10/38/639631038.db2.gz XBDIDGMPJYJQPD-KRWDZBQOSA-N 2 2 285.391 2.248 20 10 CECDLP Cc1cc(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)c(Cl)c1 ZINC000841049957 639633403 /nfs/dbraw/zinc/63/34/03/639633403.db2.gz CZVGTKLVPYJDAR-LBPRGKRZSA-N 2 2 254.761 2.181 20 10 CECDLP C[N@H+](Cc1cccc(Br)c1O)C1CC[NH2+]CC1 ZINC000843046714 640251348 /nfs/dbraw/zinc/25/13/48/640251348.db2.gz ZPDCVTXTWMSKLU-UHFFFAOYSA-N 2 2 299.212 2.339 20 10 CECDLP C[N@@H+](Cc1cccc(Br)c1O)C1CC[NH2+]CC1 ZINC000843046714 640251353 /nfs/dbraw/zinc/25/13/53/640251353.db2.gz ZPDCVTXTWMSKLU-UHFFFAOYSA-N 2 2 299.212 2.339 20 10 CECDLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1[NH3+] ZINC000843052028 640254923 /nfs/dbraw/zinc/25/49/23/640254923.db2.gz OROTUMJYBITVGJ-JOYOIKCWSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1[NH3+] ZINC000843052028 640254930 /nfs/dbraw/zinc/25/49/30/640254930.db2.gz OROTUMJYBITVGJ-JOYOIKCWSA-N 2 2 254.761 2.215 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000843128903 640295371 /nfs/dbraw/zinc/29/53/71/640295371.db2.gz YYBLETVZXCMMJT-DZGCQCFKSA-N 2 2 277.387 2.076 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000843128903 640295385 /nfs/dbraw/zinc/29/53/85/640295385.db2.gz YYBLETVZXCMMJT-DZGCQCFKSA-N 2 2 277.387 2.076 20 10 CECDLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1O ZINC000846142206 641199185 /nfs/dbraw/zinc/19/91/85/641199185.db2.gz DFQJEPNWQLGGAU-RYUDHWBXSA-N 2 2 264.369 2.146 20 10 CECDLP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1O ZINC000846142206 641199192 /nfs/dbraw/zinc/19/91/92/641199192.db2.gz DFQJEPNWQLGGAU-RYUDHWBXSA-N 2 2 264.369 2.146 20 10 CECDLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)cc(F)c1O ZINC000817965157 642185477 /nfs/dbraw/zinc/18/54/77/642185477.db2.gz QLZKQRRZWKKWBL-QMMMGPOBSA-N 2 2 256.296 2.202 20 10 CECDLP CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000923424899 643704384 /nfs/dbraw/zinc/70/43/84/643704384.db2.gz IHJMGQWIZNUBFQ-OAHLLOKOSA-N 2 2 261.413 2.245 20 10 CECDLP CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000923424899 643704389 /nfs/dbraw/zinc/70/43/89/643704389.db2.gz IHJMGQWIZNUBFQ-OAHLLOKOSA-N 2 2 261.413 2.245 20 10 CECDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000854223279 644016293 /nfs/dbraw/zinc/01/62/93/644016293.db2.gz BSKMDTSUETVQDL-ATZCPNFKSA-N 2 2 250.317 2.031 20 10 CECDLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1O ZINC000854222686 644016306 /nfs/dbraw/zinc/01/63/06/644016306.db2.gz KHCRNLWBJKECKU-JTQLQIEISA-N 2 2 252.333 2.453 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484252 646740485 /nfs/dbraw/zinc/74/04/85/646740485.db2.gz IOYIEKYRHGTKBV-YPMHNXCESA-N 2 2 265.376 2.122 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1C[NH3+] ZINC000873215362 649593015 /nfs/dbraw/zinc/59/30/15/649593015.db2.gz DFUSTYCPANSJFN-PSASIEDQSA-N 2 2 272.751 2.211 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1C[NH3+] ZINC000873215362 649593017 /nfs/dbraw/zinc/59/30/17/649593017.db2.gz DFUSTYCPANSJFN-PSASIEDQSA-N 2 2 272.751 2.211 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873232025 649603614 /nfs/dbraw/zinc/60/36/14/649603614.db2.gz TYMYMJHVAJHBLX-SJORKVTESA-N 2 2 273.424 2.435 20 10 CECDLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001205124371 807720595 /nfs/dbraw/zinc/72/05/95/807720595.db2.gz PKQMAXGLAVCOGR-NSHDSACASA-N 2 2 272.751 2.498 20 10 CECDLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001205124371 807720598 /nfs/dbraw/zinc/72/05/98/807720598.db2.gz PKQMAXGLAVCOGR-NSHDSACASA-N 2 2 272.751 2.498 20 10 CECDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708501078 809943880 /nfs/dbraw/zinc/94/38/80/809943880.db2.gz ASMOQKSFEYDFNS-SNVBAGLBSA-N 2 2 270.323 2.102 20 10 CECDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708501078 809943882 /nfs/dbraw/zinc/94/38/82/809943882.db2.gz ASMOQKSFEYDFNS-SNVBAGLBSA-N 2 2 270.323 2.102 20 10 CECDLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000037228656 173049069 /nfs/dbraw/zinc/04/90/69/173049069.db2.gz NGQUMTYTFRZCAB-AWEZNQCLSA-N 2 2 261.413 2.499 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(F)ccc1O ZINC000377798499 329030107 /nfs/dbraw/zinc/03/01/07/329030107.db2.gz IZXNWXZAUMYTES-GXSJLCMTSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(F)ccc1O ZINC000377798499 329030108 /nfs/dbraw/zinc/03/01/08/329030108.db2.gz IZXNWXZAUMYTES-GXSJLCMTSA-N 2 2 275.327 2.463 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000050250130 623374394 /nfs/dbraw/zinc/37/43/94/623374394.db2.gz WREXTMSOIZHJIA-JTQLQIEISA-N 2 2 282.771 2.029 20 10 CECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1O ZINC000050250130 623374403 /nfs/dbraw/zinc/37/44/03/623374403.db2.gz WREXTMSOIZHJIA-JTQLQIEISA-N 2 2 282.771 2.029 20 10 CECDLP CN(C)c1ccc(C[NH2+]C2CC([NH+](C)C)C2)cc1F ZINC000848556684 624365564 /nfs/dbraw/zinc/36/55/64/624365564.db2.gz CLIDAEDWZNQGKD-UHFFFAOYSA-N 2 2 265.376 2.074 20 10 CECDLP Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1N(C)C ZINC000931277533 628495390 /nfs/dbraw/zinc/49/53/90/628495390.db2.gz LGGMJZURNMZAOC-QLPKVWCKSA-N 2 2 273.424 2.053 20 10 CECDLP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1N(C)C ZINC000931277533 628495394 /nfs/dbraw/zinc/49/53/94/628495394.db2.gz LGGMJZURNMZAOC-QLPKVWCKSA-N 2 2 273.424 2.053 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448067 634671044 /nfs/dbraw/zinc/67/10/44/634671044.db2.gz XNAGISPLYRTMEW-WFASDCNBSA-N 2 2 261.413 2.401 20 10 CECDLP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817967373 633810436 /nfs/dbraw/zinc/81/04/36/633810436.db2.gz GQJRVTHGGXOJPL-SECBINFHSA-N 2 2 268.307 2.241 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984441 633826226 /nfs/dbraw/zinc/82/62/26/633826226.db2.gz SUUMWGRKAXASEY-CMPLNLGQSA-N 2 2 252.333 2.324 20 10 CECDLP c1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000904381552 635605447 /nfs/dbraw/zinc/60/54/47/635605447.db2.gz YAPMRWJENMHVLX-MRXNPFEDSA-N 2 2 272.392 2.386 20 10 CECDLP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(Cl)c1 ZINC000840941312 639593609 /nfs/dbraw/zinc/59/36/09/639593609.db2.gz WGDBJKZMNTXDOP-TXEJJXNPSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(Cl)c1 ZINC000840941312 639593616 /nfs/dbraw/zinc/59/36/16/639593616.db2.gz WGDBJKZMNTXDOP-TXEJJXNPSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC000840941312 639593621 /nfs/dbraw/zinc/59/36/21/639593621.db2.gz WGDBJKZMNTXDOP-TXEJJXNPSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC000840941312 639593627 /nfs/dbraw/zinc/59/36/27/639593627.db2.gz WGDBJKZMNTXDOP-TXEJJXNPSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000841059735 639636622 /nfs/dbraw/zinc/63/66/22/639636622.db2.gz WIWRZHAOFBMBNS-WBMJQRKESA-N 2 2 261.413 2.149 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000841063147 639638108 /nfs/dbraw/zinc/63/81/08/639638108.db2.gz IWFXHLGXXHBPLH-CJNGLKHVSA-N 2 2 261.413 2.291 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000841065683 639640715 /nfs/dbraw/zinc/64/07/15/639640715.db2.gz SUGRHIZUSPZEMO-BXUZGUMPSA-N 2 2 264.369 2.021 20 10 CECDLP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000841091475 639654879 /nfs/dbraw/zinc/65/48/79/639654879.db2.gz YRPUPVYVEAZQMA-OGZRUICASA-N 2 2 273.424 2.498 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000843043827 640248819 /nfs/dbraw/zinc/24/88/19/640248819.db2.gz JKXMCXAXBJJRGH-OAHLLOKOSA-N 2 2 261.413 2.456 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000843043827 640248823 /nfs/dbraw/zinc/24/88/23/640248823.db2.gz JKXMCXAXBJJRGH-OAHLLOKOSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843118050 640287336 /nfs/dbraw/zinc/28/73/36/640287336.db2.gz ZOKWEENAGZRXSI-ZDUSSCGKSA-N 2 2 254.761 2.216 20 10 CECDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843118050 640287343 /nfs/dbraw/zinc/28/73/43/640287343.db2.gz ZOKWEENAGZRXSI-ZDUSSCGKSA-N 2 2 254.761 2.216 20 10 CECDLP Cc1cccc(O)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000877528041 650768596 /nfs/dbraw/zinc/76/85/96/650768596.db2.gz RVHCMMVCWPTCEU-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP Cc1cccc(O)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000877528041 650768600 /nfs/dbraw/zinc/76/86/00/650768600.db2.gz RVHCMMVCWPTCEU-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000853249390 643721816 /nfs/dbraw/zinc/72/18/16/643721816.db2.gz QNYMZQXOWFEHCO-VIFPVBQESA-N 2 2 287.201 2.161 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545725 646752690 /nfs/dbraw/zinc/75/26/90/646752690.db2.gz GZHHHVJMLBJENS-CKYFFXLPSA-N 2 2 252.333 2.322 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000873217342 649594185 /nfs/dbraw/zinc/59/41/85/649594185.db2.gz ZZOYOKPEMYWQHN-MWLCHTKSSA-N 2 2 254.761 2.072 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C[NH3+] ZINC000873217342 649594187 /nfs/dbraw/zinc/59/41/87/649594187.db2.gz ZZOYOKPEMYWQHN-MWLCHTKSSA-N 2 2 254.761 2.072 20 10 CECDLP C[NH+](C)CCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708440988 809931371 /nfs/dbraw/zinc/93/13/71/809931371.db2.gz GQAIKYOWVKAGDQ-UHFFFAOYSA-N 2 2 258.312 2.102 20 10 CECDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@@H+]1C ZINC000180196453 368372017 /nfs/dbraw/zinc/37/20/17/368372017.db2.gz NFFSJWFTAWWQTR-RISCZKNCSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2O)CC[N@H+]1C ZINC000180196453 368372018 /nfs/dbraw/zinc/37/20/18/368372018.db2.gz NFFSJWFTAWWQTR-RISCZKNCSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196453 368372019 /nfs/dbraw/zinc/37/20/19/368372019.db2.gz NFFSJWFTAWWQTR-RISCZKNCSA-N 2 2 266.360 2.446 20 10 CECDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2O)CC[NH+]1C ZINC000180196453 368372020 /nfs/dbraw/zinc/37/20/20/368372020.db2.gz NFFSJWFTAWWQTR-RISCZKNCSA-N 2 2 266.360 2.446 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272261102 373392809 /nfs/dbraw/zinc/39/28/09/373392809.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272261102 373392817 /nfs/dbraw/zinc/39/28/17/373392817.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272261102 373392820 /nfs/dbraw/zinc/39/28/20/373392820.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272261102 373392824 /nfs/dbraw/zinc/39/28/24/373392824.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 2 2 260.381 2.227 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000272661930 373603939 /nfs/dbraw/zinc/60/39/39/373603939.db2.gz ROGNXQDOMWYEJP-WMLDXEAASA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1F ZINC000272661930 373603946 /nfs/dbraw/zinc/60/39/46/373603946.db2.gz ROGNXQDOMWYEJP-WMLDXEAASA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1F ZINC000272661930 373603956 /nfs/dbraw/zinc/60/39/56/373603956.db2.gz ROGNXQDOMWYEJP-WMLDXEAASA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1F ZINC000272661930 373603963 /nfs/dbraw/zinc/60/39/63/373603963.db2.gz ROGNXQDOMWYEJP-WMLDXEAASA-N 2 2 291.414 2.418 20 10 CECDLP c1[nH+]c2n(c1C[NH2+]Cc1ccc3c(c1)CCO3)CCCC2 ZINC000370262400 373619867 /nfs/dbraw/zinc/61/98/67/373619867.db2.gz QMSHTOCIFXJUJV-UHFFFAOYSA-N 2 2 283.375 2.444 20 10 CECDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273597421 373767057 /nfs/dbraw/zinc/76/70/57/373767057.db2.gz QZJGNQSJUFTJCV-CQSZACIVSA-N 2 2 280.412 2.238 20 10 CECDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273597421 373767063 /nfs/dbraw/zinc/76/70/63/373767063.db2.gz QZJGNQSJUFTJCV-CQSZACIVSA-N 2 2 280.412 2.238 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216260 328716794 /nfs/dbraw/zinc/71/67/94/328716794.db2.gz PAIANCSNHFWMLZ-IINYFYTJSA-N 2 2 264.344 2.467 20 10 CECDLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000744450060 575121704 /nfs/dbraw/zinc/12/17/04/575121704.db2.gz KBWFVRDMFUZMGZ-CQSZACIVSA-N 2 2 261.413 2.184 20 10 CECDLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000744450060 575121705 /nfs/dbraw/zinc/12/17/05/575121705.db2.gz KBWFVRDMFUZMGZ-CQSZACIVSA-N 2 2 261.413 2.184 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(F)c1O ZINC000925787232 628827282 /nfs/dbraw/zinc/82/72/82/628827282.db2.gz XTPVAXXUDAELLY-BBBLOLIVSA-N 2 2 270.323 2.177 20 10 CECDLP C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)cc(F)c1O ZINC000817937963 633789222 /nfs/dbraw/zinc/78/92/22/633789222.db2.gz AQMIALLFXUGFIE-SSDOTTSWSA-N 2 2 291.164 2.293 20 10 CECDLP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1O ZINC000817945230 633791940 /nfs/dbraw/zinc/79/19/40/633791940.db2.gz XOXIXDMJNCOJSJ-KOLCDFICSA-N 2 2 254.761 2.367 20 10 CECDLP CC[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952020 633796070 /nfs/dbraw/zinc/79/60/70/633796070.db2.gz MVESDTPSQWGSNJ-KOLCDFICSA-N 2 2 252.333 2.279 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000817966423 633808715 /nfs/dbraw/zinc/80/87/15/633808715.db2.gz NLPVHLNKXCOHLC-SFYZADRCSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970567 633813380 /nfs/dbraw/zinc/81/33/80/633813380.db2.gz ZZTNMZHXVGYIAY-RYUDHWBXSA-N 2 2 297.830 2.174 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)cc(F)c1O ZINC000817971046 633813806 /nfs/dbraw/zinc/81/38/06/633813806.db2.gz JPAGBSNVOMMBRB-RVBZMBCESA-N 2 2 270.323 2.319 20 10 CECDLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970792 633814040 /nfs/dbraw/zinc/81/40/40/633814040.db2.gz FGUSPROIMKEUEN-RYUDHWBXSA-N 2 2 297.830 2.174 20 10 CECDLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817970566 633814192 /nfs/dbraw/zinc/81/41/92/633814192.db2.gz ZZTNMZHXVGYIAY-NWDGAFQWSA-N 2 2 297.830 2.174 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904430403 635625160 /nfs/dbraw/zinc/62/51/60/635625160.db2.gz IALOQQIXHJOTGR-INIZCTEOSA-N 2 2 260.381 2.419 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904430403 635625163 /nfs/dbraw/zinc/62/51/63/635625163.db2.gz IALOQQIXHJOTGR-INIZCTEOSA-N 2 2 260.381 2.419 20 10 CECDLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904431293 635625846 /nfs/dbraw/zinc/62/58/46/635625846.db2.gz QZYWKAZZTRBMPW-MRXNPFEDSA-N 2 2 260.381 2.419 20 10 CECDLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904431293 635625847 /nfs/dbraw/zinc/62/58/47/635625847.db2.gz QZYWKAZZTRBMPW-MRXNPFEDSA-N 2 2 260.381 2.419 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)c1O ZINC000904462256 635635326 /nfs/dbraw/zinc/63/53/26/635635326.db2.gz PFKYHHAQSQIXKS-GFCCVEGCSA-N 2 2 284.787 2.142 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000835038926 638033936 /nfs/dbraw/zinc/03/39/36/638033936.db2.gz ZQHWQBKPEHHXSG-YXMMZVCTSA-N 2 2 273.424 2.450 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000835038926 638033942 /nfs/dbraw/zinc/03/39/42/638033942.db2.gz ZQHWQBKPEHHXSG-YXMMZVCTSA-N 2 2 273.424 2.450 20 10 CECDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1F ZINC000841032603 639623579 /nfs/dbraw/zinc/62/35/79/639623579.db2.gz HMAZPRHVRXPTCW-ZDUSSCGKSA-N 2 2 265.376 2.123 20 10 CECDLP Cc1cc(Br)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1O ZINC000841042248 639629362 /nfs/dbraw/zinc/62/93/62/639629362.db2.gz HEKVCWAOVJEGSZ-LBPRGKRZSA-N 2 2 299.212 2.305 20 10 CECDLP COC[C@H](CC(C)C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045919 639630981 /nfs/dbraw/zinc/63/09/81/639630981.db2.gz SQQATQOLHWBISW-RDJZCZTQSA-N 2 2 293.455 2.403 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000841063146 639638606 /nfs/dbraw/zinc/63/86/06/639638606.db2.gz IWFXHLGXXHBPLH-BBRMVZONSA-N 2 2 261.413 2.291 20 10 CECDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056881 640260255 /nfs/dbraw/zinc/26/02/55/640260255.db2.gz BIJRZTCMVKMMQT-RKDXNWHRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843056881 640260256 /nfs/dbraw/zinc/26/02/56/640260256.db2.gz BIJRZTCMVKMMQT-RKDXNWHRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000846705011 641403469 /nfs/dbraw/zinc/40/34/69/641403469.db2.gz WZOWGWHRAWIQKN-GXSJLCMTSA-N 2 2 254.761 2.357 20 10 CECDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(Cl)c1O ZINC000846705011 641403474 /nfs/dbraw/zinc/40/34/74/641403474.db2.gz WZOWGWHRAWIQKN-GXSJLCMTSA-N 2 2 254.761 2.357 20 10 CECDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1O ZINC000848919388 642191880 /nfs/dbraw/zinc/19/18/80/642191880.db2.gz KHFYGQDKJAMMIR-DZGCQCFKSA-N 2 2 290.407 2.296 20 10 CECDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226167 644858755 /nfs/dbraw/zinc/85/87/55/644858755.db2.gz GSDKSPAWYWWTLU-RISCZKNCSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000857226167 644858758 /nfs/dbraw/zinc/85/87/58/644858758.db2.gz GSDKSPAWYWWTLU-RISCZKNCSA-N 2 2 266.772 2.359 20 10 CECDLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C[NH2+]1 ZINC000863483508 646739528 /nfs/dbraw/zinc/73/95/28/646739528.db2.gz BVELEQKRXMFBPR-JOYOIKCWSA-N 2 2 254.761 2.276 20 10 CECDLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C[NH2+]1 ZINC000863483500 646739549 /nfs/dbraw/zinc/73/95/49/646739549.db2.gz BVELEQKRXMFBPR-BXKDBHETSA-N 2 2 254.761 2.276 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000863543247 646751738 /nfs/dbraw/zinc/75/17/38/646751738.db2.gz MHBIHSUMMBYZEL-TVYUQYBPSA-N 2 2 252.333 2.322 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000863542890 646752074 /nfs/dbraw/zinc/75/20/74/646752074.db2.gz IAOCHCJQAWWNER-DDTOSNHZSA-N 2 2 264.369 2.192 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188552 647207023 /nfs/dbraw/zinc/20/70/23/647207023.db2.gz HSVQDFXBWNDJMI-SNVBAGLBSA-N 2 2 277.755 2.347 20 10 CECDLP [NH3+][C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205124694 807724929 /nfs/dbraw/zinc/72/49/29/807724929.db2.gz YFLLVTFAOVGBRM-JTQLQIEISA-N 2 2 272.751 2.498 20 10 CECDLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205124694 807724932 /nfs/dbraw/zinc/72/49/32/807724932.db2.gz YFLLVTFAOVGBRM-JTQLQIEISA-N 2 2 272.751 2.498 20 10 CECDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3c(O)cccc3F)C[C@H]2C1 ZINC001137840402 815695695 /nfs/dbraw/zinc/69/56/95/815695695.db2.gz ZJJXQPNARCSLPU-CHWSQXEVSA-N 2 2 278.371 2.305 20 10 CECDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140342572 816237353 /nfs/dbraw/zinc/23/73/53/816237353.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 2 2 280.799 2.429 20 10 CECDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140342572 816237357 /nfs/dbraw/zinc/23/73/57/816237357.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 2 2 280.799 2.429 20 10 CECDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140342572 816237365 /nfs/dbraw/zinc/23/73/65/816237365.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 2 2 280.799 2.429 20 10 CECDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140342572 816237368 /nfs/dbraw/zinc/23/73/68/816237368.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 2 2 280.799 2.429 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272267705 373396807 /nfs/dbraw/zinc/39/68/07/373396807.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272267705 373396811 /nfs/dbraw/zinc/39/68/11/373396811.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272267705 373396817 /nfs/dbraw/zinc/39/68/17/373396817.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 2 2 273.424 2.279 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272267705 373396825 /nfs/dbraw/zinc/39/68/25/373396825.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 2 2 273.424 2.279 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216261 328716797 /nfs/dbraw/zinc/71/67/97/328716797.db2.gz PAIANCSNHFWMLZ-QMTHXVAHSA-N 2 2 264.344 2.467 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000273363270 292014317 /nfs/dbraw/zinc/01/43/17/292014317.db2.gz AUFQVJNPHHBURH-RYUDHWBXSA-N 2 2 294.395 2.170 20 10 CECDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293261022 395226331 /nfs/dbraw/zinc/22/63/31/395226331.db2.gz CAGKZVKSFIWPON-AWEZNQCLSA-N 2 2 280.412 2.238 20 10 CECDLP C[C@H](C[NH2+][C@H](C)c1ccccc1O)C[NH+]1CCOCC1 ZINC000183522733 395259278 /nfs/dbraw/zinc/25/92/78/395259278.db2.gz PFXKCNJYRUBJLJ-ZIAGYGMSSA-N 2 2 278.396 2.011 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000228671113 329059069 /nfs/dbraw/zinc/05/90/69/329059069.db2.gz DSTBXGCVRJVSCV-JTQLQIEISA-N 2 2 295.770 2.429 20 10 CECDLP CC[C@@H]([NH2+]CC[N@H+](C)CCOC)c1ccc(C)cc1O ZINC000280251825 522833605 /nfs/dbraw/zinc/83/36/05/522833605.db2.gz WREKQGVUEOOAST-OAHLLOKOSA-N 2 2 280.412 2.320 20 10 CECDLP CC[C@@H]([NH2+]CC[N@@H+](C)CCOC)c1ccc(C)cc1O ZINC000280251825 522833617 /nfs/dbraw/zinc/83/36/17/522833617.db2.gz WREKQGVUEOOAST-OAHLLOKOSA-N 2 2 280.412 2.320 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000841043032 632330360 /nfs/dbraw/zinc/33/03/60/632330360.db2.gz MWHMHIRLUXVNDS-UJAVWCLSSA-N 2 2 259.397 2.107 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817901732 633762803 /nfs/dbraw/zinc/76/28/03/633762803.db2.gz XTFCRDHAQHBQBF-BXUZGUMPSA-N 2 2 265.376 2.122 20 10 CECDLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000817943276 633791413 /nfs/dbraw/zinc/79/14/13/633791413.db2.gz TWELOXKFWTWTJZ-UAGQMJEPSA-N 2 2 291.439 2.300 20 10 CECDLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000817966232 633808943 /nfs/dbraw/zinc/80/89/43/633808943.db2.gz JJEIALHNBHFEFZ-HTQZYQBOSA-N 2 2 273.174 2.153 20 10 CECDLP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)cc(F)c1O ZINC000817971048 633814245 /nfs/dbraw/zinc/81/42/45/633814245.db2.gz JPAGBSNVOMMBRB-ZDMBXUJBSA-N 2 2 270.323 2.319 20 10 CECDLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817973455 633816991 /nfs/dbraw/zinc/81/69/91/633816991.db2.gz UCMPBEUIHOOPHI-RNFRBKRXSA-N 2 2 291.164 2.292 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817973996 633817056 /nfs/dbraw/zinc/81/70/56/633817056.db2.gz XGVHWUDWQPNBNU-MNOVXSKESA-N 2 2 252.358 2.049 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000817973994 633817377 /nfs/dbraw/zinc/81/73/77/633817377.db2.gz XGVHWUDWQPNBNU-GHMZBOCLSA-N 2 2 252.358 2.049 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(C[NH3+])cc2)cc1 ZINC000904353228 635585231 /nfs/dbraw/zinc/58/52/31/635585231.db2.gz JJWVZFODBCIOJY-SFHVURJKSA-N 3 2 298.434 2.001 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1C[NH3+] ZINC000904412407 635619971 /nfs/dbraw/zinc/61/99/71/635619971.db2.gz VISJPLGYSKDOIO-MNOVXSKESA-N 2 2 268.788 2.462 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1C[NH3+] ZINC000904412407 635619975 /nfs/dbraw/zinc/61/99/75/635619975.db2.gz VISJPLGYSKDOIO-MNOVXSKESA-N 2 2 268.788 2.462 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904432886 635626964 /nfs/dbraw/zinc/62/69/64/635626964.db2.gz IOQYFSKQWKWKRC-KRWDZBQOSA-N 2 2 273.424 2.471 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000904432886 635626968 /nfs/dbraw/zinc/62/69/68/635626968.db2.gz IOQYFSKQWKWKRC-KRWDZBQOSA-N 2 2 273.424 2.471 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000841091001 637754432 /nfs/dbraw/zinc/75/44/32/637754432.db2.gz RZGGEJRKNXGPDI-UHFFFAOYSA-N 2 2 272.751 2.416 20 10 CECDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000841033381 639625274 /nfs/dbraw/zinc/62/52/74/639625274.db2.gz SKCFCNYLJAQWLA-GFCCVEGCSA-N 2 2 284.787 2.286 20 10 CECDLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841058061 639635550 /nfs/dbraw/zinc/63/55/50/639635550.db2.gz OTOMSOCHUOZMON-QWRGUYRKSA-N 2 2 254.761 2.405 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000841064007 639639417 /nfs/dbraw/zinc/63/94/17/639639417.db2.gz NVYSOWMIYUMBHZ-SKDRFNHKSA-N 2 2 254.761 2.133 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841094357 639655710 /nfs/dbraw/zinc/65/57/10/639655710.db2.gz XDTDDMNVZUMCHA-UHFFFAOYSA-N 2 2 272.751 2.416 20 10 CECDLP CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843052744 640256194 /nfs/dbraw/zinc/25/61/94/640256194.db2.gz SHKFXQWVRZXZSE-ZWNOBZJWSA-N 2 2 252.333 2.091 20 10 CECDLP CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1[NH3+] ZINC000843052744 640256195 /nfs/dbraw/zinc/25/61/95/640256195.db2.gz SHKFXQWVRZXZSE-ZWNOBZJWSA-N 2 2 252.333 2.091 20 10 CECDLP Oc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124366 640291300 /nfs/dbraw/zinc/29/13/00/640291300.db2.gz ZGVHCKXPCILRPE-HNNXBMFYSA-N 2 2 264.344 2.107 20 10 CECDLP Oc1c(F)cccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124366 640291304 /nfs/dbraw/zinc/29/13/04/640291304.db2.gz ZGVHCKXPCILRPE-HNNXBMFYSA-N 2 2 264.344 2.107 20 10 CECDLP COc1cccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000846162240 641208645 /nfs/dbraw/zinc/20/86/45/641208645.db2.gz CGFOPBWEZALINY-NEPJUHHUSA-N 2 2 287.363 2.263 20 10 CECDLP C[NH+](C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179937905 641395295 /nfs/dbraw/zinc/39/52/95/641395295.db2.gz VORXWQGAUZPJSV-UHFFFAOYSA-N 2 2 252.333 2.057 20 10 CECDLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1N(C)C ZINC000923397139 643695501 /nfs/dbraw/zinc/69/55/01/643695501.db2.gz AHLXNCUPMBJCEO-INIZCTEOSA-N 2 2 273.424 2.435 20 10 CECDLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1N(C)C ZINC000923397142 643695817 /nfs/dbraw/zinc/69/58/17/643695817.db2.gz AHLXNCUPMBJCEO-MRXNPFEDSA-N 2 2 273.424 2.435 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863546260 646753531 /nfs/dbraw/zinc/75/35/31/646753531.db2.gz HUECUMZNBUBRSH-ZWKOPEQDSA-N 2 2 252.333 2.322 20 10 CECDLP CC[N@H+](CC[NH3+])Cc1cc(C)cc(Br)c1O ZINC000863644510 646776431 /nfs/dbraw/zinc/77/64/31/646776431.db2.gz YRPLANMCCPNSDE-UHFFFAOYSA-N 2 2 287.201 2.244 20 10 CECDLP CC[N@@H+](CC[NH3+])Cc1cc(C)cc(Br)c1O ZINC000863644510 646776434 /nfs/dbraw/zinc/77/64/34/646776434.db2.gz YRPLANMCCPNSDE-UHFFFAOYSA-N 2 2 287.201 2.244 20 10 CECDLP Cc1ccc(O)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000778188724 647206886 /nfs/dbraw/zinc/20/68/86/647206886.db2.gz IDEYEZPSSXEIFK-ZDUSSCGKSA-N 2 2 257.337 2.002 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229915 649601101 /nfs/dbraw/zinc/60/11/01/649601101.db2.gz IVGLSJRFOSLHPC-JKSUJKDBSA-N 2 2 276.380 2.165 20 10 CECDLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000211414274 651603767 /nfs/dbraw/zinc/60/37/67/651603767.db2.gz VRFQITFXXZMAFK-UHFFFAOYSA-N 2 2 256.777 2.429 20 10 CECDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000211414274 651603768 /nfs/dbraw/zinc/60/37/68/651603768.db2.gz VRFQITFXXZMAFK-UHFFFAOYSA-N 2 2 256.777 2.429 20 10 CECDLP C[NH+](C)C1CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000701478664 809434413 /nfs/dbraw/zinc/43/44/13/809434413.db2.gz MRZASHQJCFMHIL-UHFFFAOYSA-N 2 2 254.761 2.228 20 10 CECDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708555270 809945504 /nfs/dbraw/zinc/94/55/04/809945504.db2.gz NKUWDLJEXUMMNO-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708555270 809945506 /nfs/dbraw/zinc/94/55/06/809945506.db2.gz NKUWDLJEXUMMNO-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001137840130 815694818 /nfs/dbraw/zinc/69/48/18/815694818.db2.gz RUXIHIPDOYJVIA-HNNXBMFYSA-N 2 2 264.344 2.059 20 10 CECDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)cccc3F)C2)C1 ZINC001137840130 815694822 /nfs/dbraw/zinc/69/48/22/815694822.db2.gz RUXIHIPDOYJVIA-HNNXBMFYSA-N 2 2 264.344 2.059 20 10 CECDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)cccc3F)C2)C1 ZINC001137840130 815694825 /nfs/dbraw/zinc/69/48/25/815694825.db2.gz RUXIHIPDOYJVIA-HNNXBMFYSA-N 2 2 264.344 2.059 20 10 CECDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)cccc3F)C2)C1 ZINC001137840130 815694828 /nfs/dbraw/zinc/69/48/28/815694828.db2.gz RUXIHIPDOYJVIA-HNNXBMFYSA-N 2 2 264.344 2.059 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1O ZINC000286334443 375918526 /nfs/dbraw/zinc/91/85/26/375918526.db2.gz YBETXTIWWOIRLE-UKRRQHHQSA-N 2 2 296.386 2.029 20 10 CECDLP Oc1cccc2c1[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000295790341 378304767 /nfs/dbraw/zinc/30/47/67/378304767.db2.gz BOBUBWROKSXYKE-ZDUSSCGKSA-N 2 2 257.337 2.256 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000185141865 262302980 /nfs/dbraw/zinc/30/29/80/262302980.db2.gz TWXDGJBHYKEHIE-NEPJUHHUSA-N 2 2 264.369 2.146 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000185141865 262302981 /nfs/dbraw/zinc/30/29/81/262302981.db2.gz TWXDGJBHYKEHIE-NEPJUHHUSA-N 2 2 264.369 2.146 20 10 CECDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(F)ccc1O ZINC000094617044 525447003 /nfs/dbraw/zinc/44/70/03/525447003.db2.gz CPTKVGSUKHZLMC-LLVKDONJSA-N 2 2 263.316 2.469 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1F ZINC000733325468 574664087 /nfs/dbraw/zinc/66/40/87/574664087.db2.gz NQEODSWGUOGEFK-CYBMUJFWSA-N 2 2 265.376 2.076 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000733325468 574664089 /nfs/dbraw/zinc/66/40/89/574664089.db2.gz NQEODSWGUOGEFK-CYBMUJFWSA-N 2 2 265.376 2.076 20 10 CECDLP Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311210130 627391077 /nfs/dbraw/zinc/39/10/77/627391077.db2.gz KZKNJEBSCHJXAB-MFKMUULPSA-N 2 2 266.772 2.229 20 10 CECDLP Oc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311210130 627391078 /nfs/dbraw/zinc/39/10/78/627391078.db2.gz KZKNJEBSCHJXAB-MFKMUULPSA-N 2 2 266.772 2.229 20 10 CECDLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902468187 634685425 /nfs/dbraw/zinc/68/54/25/634685425.db2.gz MNWBXYSCJWLVKL-SCUASFONSA-N 2 2 264.344 2.465 20 10 CECDLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925786252 628824852 /nfs/dbraw/zinc/82/48/52/628824852.db2.gz SXPZAYZLISPYCH-JIMOISOXSA-N 2 2 252.333 2.180 20 10 CECDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800844 628848035 /nfs/dbraw/zinc/84/80/35/628848035.db2.gz YBGQMORWEXJOOS-ZIAGYGMSSA-N 2 2 290.407 2.202 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636487 630620756 /nfs/dbraw/zinc/62/07/56/630620756.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 2 2 264.344 2.248 20 10 CECDLP Oc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000896636487 630620761 /nfs/dbraw/zinc/62/07/61/630620761.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 2 2 264.344 2.248 20 10 CECDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)C[NH+](C)C ZINC000926963936 632391029 /nfs/dbraw/zinc/39/10/29/632391029.db2.gz WASSBOXMFXKRAH-KGLIPLIRSA-N 2 2 280.412 2.318 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817895037 633757374 /nfs/dbraw/zinc/75/73/74/633757374.db2.gz SZDASKODWMCHAM-CJNGLKHVSA-N 2 2 261.413 2.291 20 10 CECDLP C[NH2+]CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817951247 633789572 /nfs/dbraw/zinc/78/95/72/633789572.db2.gz CHBVCLORBYZOOF-QMMMGPOBSA-N 2 2 273.174 2.025 20 10 CECDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817962068 633804969 /nfs/dbraw/zinc/80/49/69/633804969.db2.gz HPPMSTZLJVTGLU-WCQYABFASA-N 2 2 294.395 2.347 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817968704 633812358 /nfs/dbraw/zinc/81/23/58/633812358.db2.gz WFRCLRFWKARZHN-XEZPLFJOSA-N 2 2 261.413 2.401 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(N(C)C)cc1 ZINC000817976818 633819762 /nfs/dbraw/zinc/81/97/62/633819762.db2.gz UZGZHTUFOKOKMT-OFQRWUPVSA-N 2 2 279.403 2.493 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc2ccccc2c1O ZINC000817983949 633826256 /nfs/dbraw/zinc/82/62/56/633826256.db2.gz SFDIYOHILYMPNX-TZMCWYRMSA-N 2 2 286.375 2.184 20 10 CECDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000818431323 633921156 /nfs/dbraw/zinc/92/11/56/633921156.db2.gz JFOMLJLDJAQPFM-VXGBXAGGSA-N 2 2 254.761 2.405 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380797 635604668 /nfs/dbraw/zinc/60/46/68/635604668.db2.gz GXMYUTSFBHPXIS-DOMZBBRYSA-N 2 2 260.381 2.242 20 10 CECDLP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904429916 635625673 /nfs/dbraw/zinc/62/56/73/635625673.db2.gz BJBJXKNPOXULOV-MRXNPFEDSA-N 2 2 276.380 2.119 20 10 CECDLP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904429916 635625677 /nfs/dbraw/zinc/62/56/77/635625677.db2.gz BJBJXKNPOXULOV-MRXNPFEDSA-N 2 2 276.380 2.119 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058569 639635577 /nfs/dbraw/zinc/63/55/77/639635577.db2.gz SVGPKNNBZLMWIG-NSHDSACASA-N 2 2 272.751 2.416 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@H](C)C[NH3+])cc1F ZINC000841059886 639636324 /nfs/dbraw/zinc/63/63/24/639636324.db2.gz KZVFTFQMVQWQRF-LLVKDONJSA-N 2 2 253.365 2.109 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059172 639636355 /nfs/dbraw/zinc/63/63/55/639636355.db2.gz LZRFHCVFRABZOR-CABZTGNLSA-N 2 2 284.787 2.142 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000841063149 639637908 /nfs/dbraw/zinc/63/79/08/639637908.db2.gz IWFXHLGXXHBPLH-XJKSGUPXSA-N 2 2 261.413 2.291 20 10 CECDLP CC[NH2+][C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000841064434 639639110 /nfs/dbraw/zinc/63/91/10/639639110.db2.gz QMGHBQVXCZIXFG-PSKZRQQASA-N 2 2 261.413 2.353 20 10 CECDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000841064261 639639891 /nfs/dbraw/zinc/63/98/91/639639891.db2.gz WZTGFQIWBROGBO-SCDWMNTPSA-N 2 2 273.424 2.496 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841077071 639646949 /nfs/dbraw/zinc/64/69/49/639646949.db2.gz YDHXWYIZBWMPLZ-BDAKNGLRSA-N 2 2 287.201 2.288 20 10 CECDLP [NH3+][C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1cccc(F)c1 ZINC000841104697 639679092 /nfs/dbraw/zinc/67/90/92/639679092.db2.gz XPHRHHGVNBNAKO-JKSUJKDBSA-N 2 2 286.350 2.458 20 10 CECDLP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1cccc(F)c1 ZINC000841104697 639679142 /nfs/dbraw/zinc/67/91/42/639679142.db2.gz XPHRHHGVNBNAKO-JKSUJKDBSA-N 2 2 286.350 2.458 20 10 CECDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841744515 639855346 /nfs/dbraw/zinc/85/53/46/639855346.db2.gz IHVAKDHUHVLCOP-AAEUAGOBSA-N 2 2 298.814 2.153 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484764 646740667 /nfs/dbraw/zinc/74/06/67/646740667.db2.gz LVAVVWFNKCRKCP-YPMHNXCESA-N 2 2 264.369 2.021 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545729 646753092 /nfs/dbraw/zinc/75/30/92/646753092.db2.gz GZHHHVJMLBJENS-JFGNBEQYSA-N 2 2 252.333 2.322 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000863643619 646776326 /nfs/dbraw/zinc/77/63/26/646776326.db2.gz QBYVIHAOROFZJH-INIZCTEOSA-N 2 2 273.424 2.435 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880137163 651389754 /nfs/dbraw/zinc/38/97/54/651389754.db2.gz YZSXKGMMSLKUFS-IRXDYDNUSA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880137163 651389756 /nfs/dbraw/zinc/38/97/56/651389756.db2.gz YZSXKGMMSLKUFS-IRXDYDNUSA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880137163 651389758 /nfs/dbraw/zinc/38/97/58/651389758.db2.gz YZSXKGMMSLKUFS-IRXDYDNUSA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880137163 651389760 /nfs/dbraw/zinc/38/97/60/651389760.db2.gz YZSXKGMMSLKUFS-IRXDYDNUSA-N 2 2 273.424 2.421 20 10 CECDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882942497 652281117 /nfs/dbraw/zinc/28/11/17/652281117.db2.gz FFWIXSCLHNCOHH-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882942497 652281119 /nfs/dbraw/zinc/28/11/19/652281119.db2.gz FFWIXSCLHNCOHH-LLVKDONJSA-N 2 2 284.350 2.492 20 10 CECDLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708504558 809944423 /nfs/dbraw/zinc/94/44/23/809944423.db2.gz RXVJPUBEMOCDFU-SNVBAGLBSA-N 2 2 270.323 2.102 20 10 CECDLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708504558 809944426 /nfs/dbraw/zinc/94/44/26/809944426.db2.gz RXVJPUBEMOCDFU-SNVBAGLBSA-N 2 2 270.323 2.102 20 10 CECDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708501075 809944736 /nfs/dbraw/zinc/94/47/36/809944736.db2.gz ASMOQKSFEYDFNS-JTQLQIEISA-N 2 2 270.323 2.102 20 10 CECDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708501075 809944741 /nfs/dbraw/zinc/94/47/41/809944741.db2.gz ASMOQKSFEYDFNS-JTQLQIEISA-N 2 2 270.323 2.102 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272609194 373579661 /nfs/dbraw/zinc/57/96/61/373579661.db2.gz KDYYAKKCWJXRPJ-CZUORRHYSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272609194 373579672 /nfs/dbraw/zinc/57/96/72/373579672.db2.gz KDYYAKKCWJXRPJ-CZUORRHYSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272609194 373579683 /nfs/dbraw/zinc/57/96/83/373579683.db2.gz KDYYAKKCWJXRPJ-CZUORRHYSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272609194 373579692 /nfs/dbraw/zinc/57/96/92/373579692.db2.gz KDYYAKKCWJXRPJ-CZUORRHYSA-N 2 2 290.407 2.317 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000122328581 394811714 /nfs/dbraw/zinc/81/17/14/394811714.db2.gz DVCJRSVYSXVPTC-ZFWWWQNUSA-N 2 2 273.424 2.467 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000122328581 394811717 /nfs/dbraw/zinc/81/17/17/394811717.db2.gz DVCJRSVYSXVPTC-ZFWWWQNUSA-N 2 2 273.424 2.467 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020506216 171228038 /nfs/dbraw/zinc/22/80/38/171228038.db2.gz JNVJTZQJXYJATK-UHFFFAOYSA-N 2 2 265.744 2.422 20 10 CECDLP COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000319387614 628386622 /nfs/dbraw/zinc/38/66/22/628386622.db2.gz DBRCGQZYBQLONY-DLBZAZTESA-N 2 2 298.386 2.328 20 10 CECDLP COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000319387614 628386623 /nfs/dbraw/zinc/38/66/23/628386623.db2.gz DBRCGQZYBQLONY-DLBZAZTESA-N 2 2 298.386 2.328 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800829 628848133 /nfs/dbraw/zinc/84/81/33/628848133.db2.gz YBGQMORWEXJOOS-KBPBESRZSA-N 2 2 290.407 2.202 20 10 CECDLP CCO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)C[NH+](C)C ZINC000926962648 632390219 /nfs/dbraw/zinc/39/02/19/632390219.db2.gz RKLABNPWMXQYBD-ZIAGYGMSSA-N 2 2 280.412 2.318 20 10 CECDLP C[C@H]([NH2+]CC[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817934263 633786406 /nfs/dbraw/zinc/78/64/06/633786406.db2.gz FGTQYXVFIKLIIE-LBPRGKRZSA-N 2 2 265.376 2.425 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941826 633790050 /nfs/dbraw/zinc/79/00/50/633790050.db2.gz LBOKTBOSLFEVOX-SUMWQHHRSA-N 2 2 284.407 2.498 20 10 CECDLP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817943154 633791391 /nfs/dbraw/zinc/79/13/91/633791391.db2.gz JMVGCOUUBXKWHZ-VIFPVBQESA-N 2 2 258.312 2.321 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817946279 633793363 /nfs/dbraw/zinc/79/33/63/633793363.db2.gz VEIUSOQIPROIJD-NXEZZACHSA-N 2 2 270.323 2.321 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817946282 633793870 /nfs/dbraw/zinc/79/38/70/633793870.db2.gz VEIUSOQIPROIJD-ZJUUUORDSA-N 2 2 270.323 2.321 20 10 CECDLP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817955556 633799465 /nfs/dbraw/zinc/79/94/65/633799465.db2.gz YUBWLQLWILUYQT-NXEZZACHSA-N 2 2 270.323 2.321 20 10 CECDLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817959895 633803635 /nfs/dbraw/zinc/80/36/35/633803635.db2.gz WKGLEXBEOPAZRZ-UFBFGSQYSA-N 2 2 258.312 2.304 20 10 CECDLP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(Cl)c1O ZINC000817964724 633807164 /nfs/dbraw/zinc/80/71/64/633807164.db2.gz GGZQPYKJZZCTFD-GFCCVEGCSA-N 2 2 254.761 2.306 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)cc(F)c1O ZINC000817971045 633814058 /nfs/dbraw/zinc/81/40/58/633814058.db2.gz JPAGBSNVOMMBRB-MWODSPESSA-N 2 2 270.323 2.319 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1O ZINC000817972657 633815057 /nfs/dbraw/zinc/81/50/57/633815057.db2.gz ZHJVJGDTMADSBO-WCABBAIRSA-N 2 2 270.323 2.462 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955842 635389594 /nfs/dbraw/zinc/38/95/94/635389594.db2.gz ZYTJRVXNANESDN-SECBINFHSA-N 2 2 290.741 2.380 20 10 CECDLP CCOCc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OC ZINC000841035135 639626361 /nfs/dbraw/zinc/62/63/61/639626361.db2.gz HTLJFEYZCAXGES-OAHLLOKOSA-N 2 2 278.396 2.073 20 10 CECDLP CC[NH2+]CC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841037698 639628488 /nfs/dbraw/zinc/62/84/88/639628488.db2.gz SMLUBGQCFRPHRY-UHFFFAOYSA-N 2 2 287.201 2.162 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000841059003 639636975 /nfs/dbraw/zinc/63/69/75/639636975.db2.gz IYMWOIFCGALOKD-RHSMWYFYSA-N 2 2 273.424 2.374 20 10 CECDLP CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CC[NH2+]CC1 ZINC000841065096 639640659 /nfs/dbraw/zinc/64/06/59/639640659.db2.gz MVLNEOUMGWKNML-UHFFFAOYSA-N 2 2 272.751 2.416 20 10 CECDLP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841084967 639649712 /nfs/dbraw/zinc/64/97/12/639649712.db2.gz RBBSGUJFYFPKSU-ONGXEEELSA-N 2 2 254.761 2.263 20 10 CECDLP C[NH2+]CCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000841105076 639682111 /nfs/dbraw/zinc/68/21/11/639682111.db2.gz YSVKEDSUSKBDEB-UHFFFAOYSA-N 2 2 256.777 2.395 20 10 CECDLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843048712 640253617 /nfs/dbraw/zinc/25/36/17/640253617.db2.gz SCICYKBCCSHVCK-OAHLLOKOSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000843048712 640253620 /nfs/dbraw/zinc/25/36/20/640253620.db2.gz SCICYKBCCSHVCK-OAHLLOKOSA-N 2 2 261.413 2.245 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000843128904 640295297 /nfs/dbraw/zinc/29/52/97/640295297.db2.gz YYBLETVZXCMMJT-HIFRSBDPSA-N 2 2 277.387 2.076 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000843128904 640295304 /nfs/dbraw/zinc/29/53/04/640295304.db2.gz YYBLETVZXCMMJT-HIFRSBDPSA-N 2 2 277.387 2.076 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843353954 640400712 /nfs/dbraw/zinc/40/07/12/640400712.db2.gz RUQGEWPQYLFFLR-PWSUYJOCSA-N 2 2 294.370 2.293 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843353954 640400715 /nfs/dbraw/zinc/40/07/15/640400715.db2.gz RUQGEWPQYLFFLR-PWSUYJOCSA-N 2 2 294.370 2.293 20 10 CECDLP Cc1cccc(O)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000877429143 650716487 /nfs/dbraw/zinc/71/64/87/650716487.db2.gz CDUUZGKYSHIYJF-LBPRGKRZSA-N 2 2 257.337 2.002 20 10 CECDLP CCO[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)C[NH+](C)C ZINC000922756592 643246543 /nfs/dbraw/zinc/24/65/43/643246543.db2.gz MHWWLFXOYQZCQU-HNNXBMFYSA-N 2 2 280.412 2.060 20 10 CECDLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226781 644859256 /nfs/dbraw/zinc/85/92/56/644859256.db2.gz ZDCRWAFHPONXSD-YGRLFVJLSA-N 2 2 266.772 2.359 20 10 CECDLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000857226781 644859262 /nfs/dbraw/zinc/85/92/62/644859262.db2.gz ZDCRWAFHPONXSD-YGRLFVJLSA-N 2 2 266.772 2.359 20 10 CECDLP Cc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000779192196 647295771 /nfs/dbraw/zinc/29/57/71/647295771.db2.gz LKGWVIJIQQIZAJ-CYBMUJFWSA-N 2 2 257.337 2.002 20 10 CECDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC000873226930 649598359 /nfs/dbraw/zinc/59/83/59/649598359.db2.gz ABMHWWKKIKRCJB-UWVGGRQHSA-N 2 2 292.276 2.100 20 10 CECDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC000873226930 649598365 /nfs/dbraw/zinc/59/83/65/649598365.db2.gz ABMHWWKKIKRCJB-UWVGGRQHSA-N 2 2 292.276 2.100 20 10 CECDLP C[NH+]1CCC2(C[NH+](Cc3c(O)cc(F)cc3F)C2)CC1 ZINC001140584443 803187103 /nfs/dbraw/zinc/18/71/03/803187103.db2.gz RLBYPEBXDMJLMN-UHFFFAOYSA-N 2 2 282.334 2.198 20 10 CECDLP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000386111701 813153388 /nfs/dbraw/zinc/15/33/88/813153388.db2.gz LOBGNYIJJXMDJT-XJKSGUPXSA-N 2 2 261.413 2.373 20 10 CECDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(F)cc1O ZINC001142530265 816680824 /nfs/dbraw/zinc/68/08/24/816680824.db2.gz BHHKRPAAGFYTTM-UHFFFAOYSA-N 2 2 272.339 2.444 20 10 CECDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(F)cc1O ZINC001142530265 816680829 /nfs/dbraw/zinc/68/08/29/816680829.db2.gz BHHKRPAAGFYTTM-UHFFFAOYSA-N 2 2 272.339 2.444 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1O ZINC000094618486 364284347 /nfs/dbraw/zinc/28/43/47/364284347.db2.gz VZBKCRZSEROYNE-YUTCNCBUSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)ccc1O ZINC000094618486 364284354 /nfs/dbraw/zinc/28/43/54/364284354.db2.gz VZBKCRZSEROYNE-YUTCNCBUSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(F)c1O ZINC000191187951 296114722 /nfs/dbraw/zinc/11/47/22/296114722.db2.gz JGFUXVNNBFDIBC-SECBINFHSA-N 2 2 270.323 2.415 20 10 CECDLP C[NH+](C)CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1 ZINC000283351018 375695636 /nfs/dbraw/zinc/69/56/36/375695636.db2.gz COCLXGOTDBOJTA-CMDGGOBGSA-N 2 2 284.363 2.018 20 10 CECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293651312 292014134 /nfs/dbraw/zinc/01/41/34/292014134.db2.gz LHVCMJMHDKWDNB-RYUDHWBXSA-N 2 2 294.395 2.027 20 10 CECDLP C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000124670680 394838420 /nfs/dbraw/zinc/83/84/20/394838420.db2.gz VUJNQWQARMINKJ-UHFFFAOYSA-N 2 2 254.761 2.229 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543781 287037775 /nfs/dbraw/zinc/03/77/75/287037775.db2.gz YIEXUBCFTFDDTM-CZUORRHYSA-N 2 2 261.413 2.497 20 10 CECDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000154543781 287037776 /nfs/dbraw/zinc/03/77/76/287037776.db2.gz YIEXUBCFTFDDTM-CZUORRHYSA-N 2 2 261.413 2.497 20 10 CECDLP COc1ccc(O)c([C@@H](C)[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377634183 329022118 /nfs/dbraw/zinc/02/21/18/329022118.db2.gz ZBKJCWZZKMHDKX-GFCCVEGCSA-N 2 2 276.380 2.242 20 10 CECDLP COc1ccc(O)c([C@@H](C)[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377634183 329022120 /nfs/dbraw/zinc/02/21/20/329022120.db2.gz ZBKJCWZZKMHDKX-GFCCVEGCSA-N 2 2 276.380 2.242 20 10 CECDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378806 331306962 /nfs/dbraw/zinc/30/69/62/331306962.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 2 2 278.371 2.447 20 10 CECDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378806 331306963 /nfs/dbraw/zinc/30/69/63/331306963.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378806 331306964 /nfs/dbraw/zinc/30/69/64/331306964.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 2 2 278.371 2.447 20 10 CECDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000166378806 331306965 /nfs/dbraw/zinc/30/69/65/331306965.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 2 2 278.371 2.447 20 10 CECDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000925784337 628821379 /nfs/dbraw/zinc/82/13/79/628821379.db2.gz MLWVJFXIUPAANK-LUTQBAROSA-N 2 2 264.344 2.277 20 10 CECDLP CCO[C@@H](C[NH2+]Cc1cccc(CC)c1O)C[NH+](C)C ZINC000896877608 630698687 /nfs/dbraw/zinc/69/86/87/630698687.db2.gz KXDPCXSAHPGPPL-HNNXBMFYSA-N 2 2 280.412 2.011 20 10 CECDLP CCO[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)C[NH+](C)C ZINC000926958249 632385625 /nfs/dbraw/zinc/38/56/25/632385625.db2.gz FIBNYHLDSLSSCY-ZFWWWQNUSA-N 2 2 280.412 2.400 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817895036 633756636 /nfs/dbraw/zinc/75/66/36/633756636.db2.gz SZDASKODWMCHAM-BBRMVZONSA-N 2 2 261.413 2.291 20 10 CECDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900443 633761426 /nfs/dbraw/zinc/76/14/26/633761426.db2.gz MTNMALYYXADGKL-XJKSGUPXSA-N 2 2 273.424 2.157 20 10 CECDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941456 633789478 /nfs/dbraw/zinc/78/94/78/633789478.db2.gz JVCWJZCDDNWFIC-DYVFJYSZSA-N 2 2 291.439 2.157 20 10 CECDLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817946280 633793308 /nfs/dbraw/zinc/79/33/08/633793308.db2.gz VEIUSOQIPROIJD-UWVGGRQHSA-N 2 2 270.323 2.321 20 10 CECDLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817954595 633798459 /nfs/dbraw/zinc/79/84/59/633798459.db2.gz ZMDVMWFKTLKAMD-YPMHNXCESA-N 2 2 252.333 2.324 20 10 CECDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Cl)ccc1O ZINC000817959425 633800748 /nfs/dbraw/zinc/80/07/48/633800748.db2.gz FWPAWXKWAIFRKX-PELKAZGASA-N 2 2 254.761 2.434 20 10 CECDLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817965955 633808420 /nfs/dbraw/zinc/80/84/20/633808420.db2.gz XMPJMWMKSLIYNG-JBLDHEPKSA-N 2 2 264.344 2.421 20 10 CECDLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(F)cc1O ZINC000817973988 633816881 /nfs/dbraw/zinc/81/68/81/633816881.db2.gz HXUAYHGURKGTMC-ZBFHGGJFSA-N 2 2 296.386 2.341 20 10 CECDLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(F)cc1O ZINC000817973983 633817757 /nfs/dbraw/zinc/81/77/57/633817757.db2.gz HXUAYHGURKGTMC-GDBMZVCRSA-N 2 2 296.386 2.341 20 10 CECDLP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000817976271 633818650 /nfs/dbraw/zinc/81/86/50/633818650.db2.gz JHTMFHPUOUJOAG-SRVKXCTJSA-N 2 2 252.333 2.051 20 10 CECDLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975889 633818766 /nfs/dbraw/zinc/81/87/66/633818766.db2.gz ZFQJCUFJJWNQEJ-NHYWBVRUSA-N 2 2 298.814 2.465 20 10 CECDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1O ZINC000817982976 633826527 /nfs/dbraw/zinc/82/65/27/633826527.db2.gz XEXHYKCQMOBKFN-BXUZGUMPSA-N 2 2 298.814 2.465 20 10 CECDLP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1O ZINC000841034453 639626285 /nfs/dbraw/zinc/62/62/85/639626285.db2.gz CMRLFKYJOYGUBD-GFCCVEGCSA-N 2 2 299.212 2.305 20 10 CECDLP C[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841036736 639627495 /nfs/dbraw/zinc/62/74/95/639627495.db2.gz STTXYZKLJCGSLZ-UHFFFAOYSA-N 2 2 286.375 2.280 20 10 CECDLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000841065231 639641393 /nfs/dbraw/zinc/64/13/93/639641393.db2.gz ZFOQCLZYMSMPLK-SKDRFNHKSA-N 2 2 254.761 2.133 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843353953 640400676 /nfs/dbraw/zinc/40/06/76/640400676.db2.gz RUQGEWPQYLFFLR-JQWIXIFHSA-N 2 2 294.370 2.293 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843353953 640400678 /nfs/dbraw/zinc/40/06/78/640400678.db2.gz RUQGEWPQYLFFLR-JQWIXIFHSA-N 2 2 294.370 2.293 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000863481449 646739144 /nfs/dbraw/zinc/73/91/44/646739144.db2.gz HTXLTYDYUWYYPV-NWDGAFQWSA-N 2 2 284.787 2.284 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000863481515 646739319 /nfs/dbraw/zinc/73/93/19/646739319.db2.gz FYBKEBBZAGTRJQ-HNNXBMFYSA-N 2 2 277.387 2.266 20 10 CECDLP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c1O ZINC000863483385 646739713 /nfs/dbraw/zinc/73/97/13/646739713.db2.gz OAPILSJIKDKZKZ-QWHCGFSZSA-N 2 2 264.369 2.021 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1O ZINC000863545891 646752834 /nfs/dbraw/zinc/75/28/34/646752834.db2.gz BACDUMUIQHAEEX-HOTUBEGUSA-N 2 2 254.761 2.447 20 10 CECDLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000778999522 647279970 /nfs/dbraw/zinc/27/99/70/647279970.db2.gz GMTCUPVICTWAAP-UHFFFAOYSA-N 2 2 283.375 2.418 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001206197246 815639292 /nfs/dbraw/zinc/63/92/92/815639292.db2.gz HAXGCVLAWVXRIA-KOLCDFICSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001206197246 815639296 /nfs/dbraw/zinc/63/92/96/815639296.db2.gz HAXGCVLAWVXRIA-KOLCDFICSA-N 2 2 290.741 2.446 20 10 CECDLP CCc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1O ZINC000691511527 811993881 /nfs/dbraw/zinc/99/38/81/811993881.db2.gz KVRHGVHNVFRBFR-UHFFFAOYSA-N 2 2 259.353 2.331 20 10 CECDLP COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)[NH3+])c1O ZINC000692075593 814603403 /nfs/dbraw/zinc/60/34/03/814603403.db2.gz YLXGRPSBIXSDQD-UHFFFAOYSA-N 2 2 272.776 2.223 20 10 CECDLP COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)[NH3+])c1O ZINC000692075593 814603407 /nfs/dbraw/zinc/60/34/07/814603407.db2.gz YLXGRPSBIXSDQD-UHFFFAOYSA-N 2 2 272.776 2.223 20 10 CECDLP Cc1cc(Cl)cc(C[NH+]2CC(C)(C[NH3+])C2)c1O ZINC001206738255 816111829 /nfs/dbraw/zinc/11/18/29/816111829.db2.gz YPKVUUMSNFZFIM-UHFFFAOYSA-N 2 2 254.761 2.135 20 10 CECDLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2c(O)cccc2F)C1 ZINC001206344954 816790013 /nfs/dbraw/zinc/79/00/13/816790013.db2.gz YODUDXFMHJARBK-CQSZACIVSA-N 2 2 270.323 2.184 20 10 CECDLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001206344954 816790015 /nfs/dbraw/zinc/79/00/15/816790015.db2.gz YODUDXFMHJARBK-CQSZACIVSA-N 2 2 270.323 2.184 20 10 CECDLP CN(C)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182671322 395247159 /nfs/dbraw/zinc/24/71/59/395247159.db2.gz UIMCMPZUYWOIRW-UHFFFAOYSA-N 2 2 272.396 2.471 20 10 CECDLP CN(C)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182671322 395247161 /nfs/dbraw/zinc/24/71/61/395247161.db2.gz UIMCMPZUYWOIRW-UHFFFAOYSA-N 2 2 272.396 2.471 20 10 CECDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000185504756 262057009 /nfs/dbraw/zinc/05/70/09/262057009.db2.gz GQSGABZFUCWGEE-LSDHHAIUSA-N 2 2 292.423 2.320 20 10 CECDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c(O)c1 ZINC000185505313 262057619 /nfs/dbraw/zinc/05/76/19/262057619.db2.gz CFFYKTKPCBHKPE-LSDHHAIUSA-N 2 2 292.423 2.320 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377702023 329025567 /nfs/dbraw/zinc/02/55/67/329025567.db2.gz TWDGLTFCZYFUMO-UHFFFAOYSA-N 2 2 259.397 2.033 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377702023 329025569 /nfs/dbraw/zinc/02/55/69/329025569.db2.gz TWDGLTFCZYFUMO-UHFFFAOYSA-N 2 2 259.397 2.033 20 10 CECDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000049553262 524166162 /nfs/dbraw/zinc/16/61/62/524166162.db2.gz HANIRLMKTGNOSY-SNVBAGLBSA-N 2 2 256.777 2.475 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062747599 524795733 /nfs/dbraw/zinc/79/57/33/524795733.db2.gz SMLHPDHBPGBXCR-GHMZBOCLSA-N 2 2 263.316 2.467 20 10 CECDLP Cc1cccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1O ZINC000311459969 627666742 /nfs/dbraw/zinc/66/67/42/627666742.db2.gz VMPUTNJWVVCCIU-OAHLLOKOSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1cccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1O ZINC000311459969 627666747 /nfs/dbraw/zinc/66/67/47/627666747.db2.gz VMPUTNJWVVCCIU-OAHLLOKOSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(Br)ccc1O ZINC000902414719 634663551 /nfs/dbraw/zinc/66/35/51/634663551.db2.gz ZUZQXMOBMVVQMZ-MRVPVSSYSA-N 2 2 285.185 2.297 20 10 CECDLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1O ZINC000902450780 634672950 /nfs/dbraw/zinc/67/29/50/634672950.db2.gz UJMNELXZUOHTHY-ZANVPECISA-N 2 2 252.333 2.180 20 10 CECDLP COc1cccc(O)c1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895671957 630300454 /nfs/dbraw/zinc/30/04/54/630300454.db2.gz RTRCZUVYSLYCAR-UHFFFAOYSA-N 2 2 290.407 2.461 20 10 CECDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C[NH+](C)C ZINC000926965948 632395927 /nfs/dbraw/zinc/39/59/27/632395927.db2.gz UFPNAYZNYLBCCS-STQMWFEESA-N 2 2 266.385 2.010 20 10 CECDLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817944639 633792454 /nfs/dbraw/zinc/79/24/54/633792454.db2.gz ITGPZNDRANZWLK-JQWIXIFHSA-N 2 2 254.761 2.448 20 10 CECDLP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817959609 633801324 /nfs/dbraw/zinc/80/13/24/633801324.db2.gz DIXCFWLTUAJYIB-QWHCGFSZSA-N 2 2 252.333 2.309 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817964548 633806508 /nfs/dbraw/zinc/80/65/08/633806508.db2.gz CHXNDYQYBPDYRH-OLZOCXBDSA-N 2 2 252.333 2.309 20 10 CECDLP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)cc(F)c1O ZINC000817967374 633810461 /nfs/dbraw/zinc/81/04/61/633810461.db2.gz GQJRVTHGGXOJPL-VIFPVBQESA-N 2 2 268.307 2.241 20 10 CECDLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1O ZINC000817977730 633821643 /nfs/dbraw/zinc/82/16/43/633821643.db2.gz NTGHMKRVJGYGJE-JULQROHOSA-N 2 2 266.772 2.304 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000841025632 639620019 /nfs/dbraw/zinc/62/00/19/639620019.db2.gz DCGCTEUEOGFIKA-BBRMVZONSA-N 2 2 261.413 2.454 20 10 CECDLP CCN(CC)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000841025632 639620020 /nfs/dbraw/zinc/62/00/20/639620020.db2.gz DCGCTEUEOGFIKA-BBRMVZONSA-N 2 2 261.413 2.454 20 10 CECDLP COC1CCC([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000841044896 639631055 /nfs/dbraw/zinc/63/10/55/639631055.db2.gz FSJPQVYGTAZNJJ-BDVYOWHSSA-N 2 2 291.439 2.300 20 10 CECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCSCC2)cc1 ZINC000841044589 639631097 /nfs/dbraw/zinc/63/10/97/639631097.db2.gz DMUFHMZFVLEVOJ-HNNXBMFYSA-N 2 2 279.453 2.238 20 10 CECDLP CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c(O)c1 ZINC000843051957 640254377 /nfs/dbraw/zinc/25/43/77/640254377.db2.gz NDEPWYXZZKBUHU-WFASDCNBSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c(O)c1 ZINC000843051957 640254381 /nfs/dbraw/zinc/25/43/81/640254381.db2.gz NDEPWYXZZKBUHU-WFASDCNBSA-N 2 2 278.396 2.350 20 10 CECDLP CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843052743 640255971 /nfs/dbraw/zinc/25/59/71/640255971.db2.gz SHKFXQWVRZXZSE-MFKMUULPSA-N 2 2 252.333 2.091 20 10 CECDLP CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1[NH3+] ZINC000843052743 640255974 /nfs/dbraw/zinc/25/59/74/640255974.db2.gz SHKFXQWVRZXZSE-MFKMUULPSA-N 2 2 252.333 2.091 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057671 640259470 /nfs/dbraw/zinc/25/94/70/640259470.db2.gz QNWRQSALDOKRMO-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057671 640259477 /nfs/dbraw/zinc/25/94/77/640259477.db2.gz QNWRQSALDOKRMO-BDAKNGLRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(Br)c1O ZINC000843129934 640296663 /nfs/dbraw/zinc/29/66/63/640296663.db2.gz UXUMSKDFABPWLG-DTWKUNHWSA-N 2 2 287.201 2.370 20 10 CECDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000844221073 640635597 /nfs/dbraw/zinc/63/55/97/640635597.db2.gz SIPLYYZMZWYJKL-AWEZNQCLSA-N 2 2 261.413 2.456 20 10 CECDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000844221073 640635600 /nfs/dbraw/zinc/63/56/00/640635600.db2.gz SIPLYYZMZWYJKL-AWEZNQCLSA-N 2 2 261.413 2.456 20 10 CECDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832300 642705368 /nfs/dbraw/zinc/70/53/68/642705368.db2.gz JJWJUDWQDHLFOL-XJKSGUPXSA-N 2 2 274.408 2.441 20 10 CECDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832300 642705376 /nfs/dbraw/zinc/70/53/76/642705376.db2.gz JJWJUDWQDHLFOL-XJKSGUPXSA-N 2 2 274.408 2.441 20 10 CECDLP CCO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)C[NH+](C)C ZINC000922757498 643247449 /nfs/dbraw/zinc/24/74/49/643247449.db2.gz HELJTKVCLZUACN-HNNXBMFYSA-N 2 2 280.412 2.065 20 10 CECDLP CCN(CC)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000853247164 643721379 /nfs/dbraw/zinc/72/13/79/643721379.db2.gz FHBVXEBKOXPDDY-UHFFFAOYSA-N 2 2 273.424 2.374 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485236 646740468 /nfs/dbraw/zinc/74/04/68/646740468.db2.gz WZAIUOALSRAKTD-SKDRFNHKSA-N 2 2 284.787 2.284 20 10 CECDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1C(F)(F)F ZINC000873226929 649598240 /nfs/dbraw/zinc/59/82/40/649598240.db2.gz ABMHWWKKIKRCJB-NXEZZACHSA-N 2 2 292.276 2.100 20 10 CECDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1C(F)(F)F ZINC000873226929 649598246 /nfs/dbraw/zinc/59/82/46/649598246.db2.gz ABMHWWKKIKRCJB-NXEZZACHSA-N 2 2 292.276 2.100 20 10 CECDLP COc1cc(N(C)C)ccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075875 807387850 /nfs/dbraw/zinc/38/78/50/807387850.db2.gz PDRUDVRATWSXGR-WFASDCNBSA-N 2 2 277.412 2.073 20 10 CECDLP COc1cc(N(C)C)ccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075875 807387858 /nfs/dbraw/zinc/38/78/58/807387858.db2.gz PDRUDVRATWSXGR-WFASDCNBSA-N 2 2 277.412 2.073 20 10 CECDLP C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386111696 813153651 /nfs/dbraw/zinc/15/36/51/813153651.db2.gz LOBGNYIJJXMDJT-BBRMVZONSA-N 2 2 261.413 2.373 20 10 CECDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180230735 368373093 /nfs/dbraw/zinc/37/30/93/368373093.db2.gz IFXMRMOHTBOBFZ-NSHDSACASA-N 2 2 268.788 2.429 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530177131 380196010 /nfs/dbraw/zinc/19/60/10/380196010.db2.gz HAXCHDYDTKRNDY-HNNXBMFYSA-N 2 2 276.380 2.165 20 10 CECDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297820722 395348454 /nfs/dbraw/zinc/34/84/54/395348454.db2.gz RJVSAKZQPUDJRQ-DFBGVHRSSA-N 2 2 272.392 2.452 20 10 CECDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297820722 395348459 /nfs/dbraw/zinc/34/84/59/395348459.db2.gz RJVSAKZQPUDJRQ-DFBGVHRSSA-N 2 2 272.392 2.452 20 10 CECDLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185008516 262037792 /nfs/dbraw/zinc/03/77/92/262037792.db2.gz KSNDBDNKLWJKAS-LBPRGKRZSA-N 2 2 284.375 2.150 20 10 CECDLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185008516 262037795 /nfs/dbraw/zinc/03/77/95/262037795.db2.gz KSNDBDNKLWJKAS-LBPRGKRZSA-N 2 2 284.375 2.150 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530214228 333528258 /nfs/dbraw/zinc/52/82/58/333528258.db2.gz CKXUUNZAUCCEMF-XHDPSFHLSA-N 2 2 276.380 2.336 20 10 CECDLP CCOc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000037157869 521374895 /nfs/dbraw/zinc/37/48/95/521374895.db2.gz XFHGQOMYLOJQBN-GFCCVEGCSA-N 2 2 275.352 2.166 20 10 CECDLP Cc1ccc(O)c(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000311457458 627666554 /nfs/dbraw/zinc/66/65/54/627666554.db2.gz UVJMOZKHNLFYBZ-HNNXBMFYSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000311457458 627666559 /nfs/dbraw/zinc/66/65/59/627666559.db2.gz UVJMOZKHNLFYBZ-HNNXBMFYSA-N 2 2 260.381 2.227 20 10 CECDLP Oc1c(Br)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057106 632360439 /nfs/dbraw/zinc/36/04/39/632360439.db2.gz IFHICYLWECCJBL-LLVKDONJSA-N 2 2 299.212 2.386 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000817902848 633763548 /nfs/dbraw/zinc/76/35/48/633763548.db2.gz ZKQSRGFBQONGEZ-IUODEOHRSA-N 2 2 260.381 2.242 20 10 CECDLP C[C@H]([NH2+]CCC[NH3+])c1cc(Br)c(F)cc1O ZINC000817938806 633789083 /nfs/dbraw/zinc/78/90/83/633789083.db2.gz SQNZTSOPWQPCKZ-ZETCQYMHSA-N 2 2 291.164 2.293 20 10 CECDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(Br)ccc1O ZINC000817945025 633792805 /nfs/dbraw/zinc/79/28/05/633792805.db2.gz RPVJAUBGMIGLKJ-PSASIEDQSA-N 2 2 285.185 2.167 20 10 CECDLP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817964550 633807102 /nfs/dbraw/zinc/80/71/02/633807102.db2.gz CHXNDYQYBPDYRH-STQMWFEESA-N 2 2 252.333 2.309 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)cc(F)c1O ZINC000817971047 633812904 /nfs/dbraw/zinc/81/29/04/633812904.db2.gz JPAGBSNVOMMBRB-VYUIOLGVSA-N 2 2 270.323 2.319 20 10 CECDLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)ccc1O ZINC000817976658 633819492 /nfs/dbraw/zinc/81/94/92/633819492.db2.gz QNVHPTBIBJDPOS-MIMYLULJSA-N 2 2 272.751 2.396 20 10 CECDLP C[C@@H](C[NH+](C)C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835053636 638040310 /nfs/dbraw/zinc/04/03/10/638040310.db2.gz OQWWEAXUBGCWQJ-UZYOAWRESA-N 2 2 261.413 2.306 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000840917428 639585457 /nfs/dbraw/zinc/58/54/57/639585457.db2.gz KHGPYPULPJQCRW-DOTOQJQBSA-N 2 2 273.424 2.245 20 10 CECDLP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000840917428 639585460 /nfs/dbraw/zinc/58/54/60/639585460.db2.gz KHGPYPULPJQCRW-DOTOQJQBSA-N 2 2 273.424 2.245 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057881 639635839 /nfs/dbraw/zinc/63/58/39/639635839.db2.gz LSRCMYOUNPDCSI-VIFPVBQESA-N 2 2 272.751 2.416 20 10 CECDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CC[NH2+]1 ZINC000841061541 639637674 /nfs/dbraw/zinc/63/76/74/639637674.db2.gz JYCXQJKCLMUKCL-GXSJLCMTSA-N 2 2 299.212 2.385 20 10 CECDLP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1O ZINC000841081333 639649281 /nfs/dbraw/zinc/64/92/81/639649281.db2.gz URUGXWSESKGYEE-VIFPVBQESA-N 2 2 287.201 2.372 20 10 CECDLP Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841091470 639654227 /nfs/dbraw/zinc/65/42/27/639654227.db2.gz YNGJLNIQOCKDBR-GFCCVEGCSA-N 2 2 254.761 2.277 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000842478599 640077937 /nfs/dbraw/zinc/07/79/37/640077937.db2.gz LDCOACARPABGLJ-MFKMUULPSA-N 2 2 294.370 2.151 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000842478599 640077943 /nfs/dbraw/zinc/07/79/43/640077943.db2.gz LDCOACARPABGLJ-MFKMUULPSA-N 2 2 294.370 2.151 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000843057245 640260029 /nfs/dbraw/zinc/26/00/29/640260029.db2.gz HLDLCABARLOYOP-ZJUUUORDSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000843057245 640260031 /nfs/dbraw/zinc/26/00/31/640260031.db2.gz HLDLCABARLOYOP-ZJUUUORDSA-N 2 2 299.212 2.324 20 10 CECDLP Oc1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120540 640289268 /nfs/dbraw/zinc/28/92/68/640289268.db2.gz PBAYYRJCZIBYTP-AWEZNQCLSA-N 2 2 266.772 2.231 20 10 CECDLP Oc1c(Cl)cccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120540 640289272 /nfs/dbraw/zinc/28/92/72/640289272.db2.gz PBAYYRJCZIBYTP-AWEZNQCLSA-N 2 2 266.772 2.231 20 10 CECDLP Oc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000843128384 640295276 /nfs/dbraw/zinc/29/52/76/640295276.db2.gz KPIRPBBYUQZXBQ-CQSZACIVSA-N 2 2 264.344 2.296 20 10 CECDLP Oc1ccccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848575651 642062547 /nfs/dbraw/zinc/06/25/47/642062547.db2.gz URHHWBSKPCTISU-GJZGRUSLSA-N 2 2 260.381 2.499 20 10 CECDLP Oc1ccccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848575651 642062549 /nfs/dbraw/zinc/06/25/49/642062549.db2.gz URHHWBSKPCTISU-GJZGRUSLSA-N 2 2 260.381 2.499 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1F ZINC000877744697 650890418 /nfs/dbraw/zinc/89/04/18/650890418.db2.gz WZWJQPZWFSMHHB-HOCLYGCPSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1F ZINC000877744697 650890420 /nfs/dbraw/zinc/89/04/20/650890420.db2.gz WZWJQPZWFSMHHB-HOCLYGCPSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC000877744697 650890421 /nfs/dbraw/zinc/89/04/21/650890421.db2.gz WZWJQPZWFSMHHB-HOCLYGCPSA-N 2 2 291.414 2.418 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1F ZINC000877744697 650890423 /nfs/dbraw/zinc/89/04/23/650890423.db2.gz WZWJQPZWFSMHHB-HOCLYGCPSA-N 2 2 291.414 2.418 20 10 CECDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000765776261 645808151 /nfs/dbraw/zinc/80/81/51/645808151.db2.gz VXSQLNFFIGHJBF-CQSZACIVSA-N 2 2 291.439 2.204 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C[NH2+]1 ZINC000863483509 646739694 /nfs/dbraw/zinc/73/96/94/646739694.db2.gz BVELEQKRXMFBPR-SKDRFNHKSA-N 2 2 254.761 2.276 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863547071 646753955 /nfs/dbraw/zinc/75/39/55/646753955.db2.gz OQYVRJZHOKMKHC-GRYCIOLGSA-N 2 2 264.369 2.192 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000863647158 646776084 /nfs/dbraw/zinc/77/60/84/646776084.db2.gz XXUMPCHHEOJLBH-LZCSOBMZSA-N 2 2 273.424 2.496 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000863649313 646776316 /nfs/dbraw/zinc/77/63/16/646776316.db2.gz CEOMLPHMYXJFOD-DZGCQCFKSA-N 2 2 261.413 2.291 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880137164 651389853 /nfs/dbraw/zinc/38/98/53/651389853.db2.gz YZSXKGMMSLKUFS-SJORKVTESA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880137164 651389855 /nfs/dbraw/zinc/38/98/55/651389855.db2.gz YZSXKGMMSLKUFS-SJORKVTESA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880137164 651389856 /nfs/dbraw/zinc/38/98/56/651389856.db2.gz YZSXKGMMSLKUFS-SJORKVTESA-N 2 2 273.424 2.421 20 10 CECDLP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880137164 651389858 /nfs/dbraw/zinc/38/98/58/651389858.db2.gz YZSXKGMMSLKUFS-SJORKVTESA-N 2 2 273.424 2.421 20 10 CECDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882942498 652280568 /nfs/dbraw/zinc/28/05/68/652280568.db2.gz FFWIXSCLHNCOHH-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882942498 652280573 /nfs/dbraw/zinc/28/05/73/652280573.db2.gz FFWIXSCLHNCOHH-NSHDSACASA-N 2 2 284.350 2.492 20 10 CECDLP C[C@H](CC[NH2+]Cc1cccc(Cl)c1O)[NH+](C)C ZINC000697836564 806701951 /nfs/dbraw/zinc/70/19/51/806701951.db2.gz JJWARDFLPGKVHS-SNVBAGLBSA-N 2 2 256.777 2.475 20 10 CECDLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205124695 807724625 /nfs/dbraw/zinc/72/46/25/807724625.db2.gz YFLLVTFAOVGBRM-SNVBAGLBSA-N 2 2 272.751 2.498 20 10 CECDLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205124695 807724627 /nfs/dbraw/zinc/72/46/27/807724627.db2.gz YFLLVTFAOVGBRM-SNVBAGLBSA-N 2 2 272.751 2.498 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001140623705 816307173 /nfs/dbraw/zinc/30/71/73/816307173.db2.gz QRJMNBCNKFCQAD-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001140623705 816307180 /nfs/dbraw/zinc/30/71/80/816307180.db2.gz QRJMNBCNKFCQAD-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001140623705 816307187 /nfs/dbraw/zinc/30/71/87/816307187.db2.gz QRJMNBCNKFCQAD-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001140623705 816307193 /nfs/dbraw/zinc/30/71/93/816307193.db2.gz QRJMNBCNKFCQAD-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP CC(C)[NH2+]C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000179837161 368353431 /nfs/dbraw/zinc/35/34/31/368353431.db2.gz JXKTUAANDGZRII-UHFFFAOYSA-N 2 2 292.379 2.083 20 10 CECDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095305 279315000 /nfs/dbraw/zinc/31/50/00/279315000.db2.gz UBHLPRDTZSMVCI-KGLIPLIRSA-N 2 2 260.381 2.453 20 10 CECDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095305 279315001 /nfs/dbraw/zinc/31/50/01/279315001.db2.gz UBHLPRDTZSMVCI-KGLIPLIRSA-N 2 2 260.381 2.453 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1O ZINC000377409040 329014604 /nfs/dbraw/zinc/01/46/04/329014604.db2.gz HIJMHBPETGSBGM-WDEREUQCSA-N 2 2 257.337 2.323 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1O ZINC000377409040 329014605 /nfs/dbraw/zinc/01/46/05/329014605.db2.gz HIJMHBPETGSBGM-WDEREUQCSA-N 2 2 257.337 2.323 20 10 CECDLP CCOc1ccc(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530177132 333526925 /nfs/dbraw/zinc/52/69/25/333526925.db2.gz HAXCHDYDTKRNDY-OAHLLOKOSA-N 2 2 276.380 2.165 20 10 CECDLP c1cc2c(cc1C[NH2+]C[C@H]1CCCC[NH2+]1)CCCO2 ZINC000258966567 628785749 /nfs/dbraw/zinc/78/57/49/628785749.db2.gz SYCICBXNHZMXIF-OAHLLOKOSA-N 2 2 260.381 2.243 20 10 CECDLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902468186 634686062 /nfs/dbraw/zinc/68/60/62/634686062.db2.gz MNWBXYSCJWLVKL-IGHBBLSQSA-N 2 2 264.344 2.465 20 10 CECDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)C[NH+](C)C ZINC000926963935 632391187 /nfs/dbraw/zinc/39/11/87/632391187.db2.gz WASSBOXMFXKRAH-KBPBESRZSA-N 2 2 280.412 2.318 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1O ZINC000824564303 635452699 /nfs/dbraw/zinc/45/26/99/635452699.db2.gz IKGCEUZATPBFRM-HOCLYGCPSA-N 2 2 292.423 2.280 20 10 CECDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1O ZINC000824564303 635452709 /nfs/dbraw/zinc/45/27/09/635452709.db2.gz IKGCEUZATPBFRM-HOCLYGCPSA-N 2 2 292.423 2.280 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420186 635631314 /nfs/dbraw/zinc/63/13/14/635631314.db2.gz FUUAHHBDTVVBOZ-VHSXEESVSA-N 2 2 284.762 2.226 20 10 CECDLP Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420186 635631316 /nfs/dbraw/zinc/63/13/16/635631316.db2.gz FUUAHHBDTVVBOZ-VHSXEESVSA-N 2 2 284.762 2.226 20 10 CECDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033813 639626247 /nfs/dbraw/zinc/62/62/47/639626247.db2.gz ZRIZFUAUNDFCJA-SECBINFHSA-N 2 2 272.751 2.274 20 10 CECDLP COc1cccc(O)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000841034322 639626406 /nfs/dbraw/zinc/62/64/06/639626406.db2.gz CKBJMSVZMKVFFG-AWEZNQCLSA-N 2 2 272.348 2.190 20 10 CECDLP CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000841033614 639626867 /nfs/dbraw/zinc/62/68/67/639626867.db2.gz XSPNCIQHADYEQD-ZDUSSCGKSA-N 2 2 264.369 2.023 20 10 CECDLP Cc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000841036117 639627954 /nfs/dbraw/zinc/62/79/54/639627954.db2.gz JYICQFGXZFXVAH-OAHLLOKOSA-N 2 2 256.349 2.490 20 10 CECDLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000841058062 639635286 /nfs/dbraw/zinc/63/52/86/639635286.db2.gz OTOMSOCHUOZMON-WDEREUQCSA-N 2 2 254.761 2.405 20 10 CECDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000841059577 639636426 /nfs/dbraw/zinc/63/64/26/639636426.db2.gz UUTXMQQXLMKTCB-SKDRFNHKSA-N 2 2 299.212 2.242 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000841059733 639637184 /nfs/dbraw/zinc/63/71/84/639637184.db2.gz WIWRZHAOFBMBNS-MLGOLLRUSA-N 2 2 261.413 2.149 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CC[NH2+]1 ZINC000841062838 639638502 /nfs/dbraw/zinc/63/85/02/639638502.db2.gz YHLORBPXJAURFS-LDYMZIIASA-N 2 2 272.751 2.415 20 10 CECDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841090335 639653447 /nfs/dbraw/zinc/65/34/47/639653447.db2.gz ODVUUSLSQWYQKE-GFCCVEGCSA-N 2 2 299.212 2.386 20 10 CECDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1O ZINC000841744517 639855516 /nfs/dbraw/zinc/85/55/16/639855516.db2.gz IHVAKDHUHVLCOP-DGCLKSJQSA-N 2 2 298.814 2.153 20 10 CECDLP COc1cccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000846138199 641197670 /nfs/dbraw/zinc/19/76/70/641197670.db2.gz AAIFZGMXNGWGCO-NEPJUHHUSA-N 2 2 275.352 2.337 20 10 CECDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858093562 645059298 /nfs/dbraw/zinc/05/92/98/645059298.db2.gz BHOXURUHGYHBQT-LLVKDONJSA-N 2 2 294.349 2.406 20 10 CECDLP CCOCc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863485018 646740700 /nfs/dbraw/zinc/74/07/00/646740700.db2.gz RMAWKRICZOOXKB-BBRMVZONSA-N 2 2 292.423 2.462 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863651378 646777198 /nfs/dbraw/zinc/77/71/98/646777198.db2.gz HEGQVKUFLHMJMB-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863651378 646777200 /nfs/dbraw/zinc/77/72/00/646777200.db2.gz HEGQVKUFLHMJMB-VIFPVBQESA-N 2 2 287.201 2.242 20 10 CECDLP CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1F ZINC000863652434 646778185 /nfs/dbraw/zinc/77/81/85/646778185.db2.gz STDKSUOIGHMJON-LBPRGKRZSA-N 2 2 267.392 2.451 20 10 CECDLP CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1F ZINC000863652434 646778189 /nfs/dbraw/zinc/77/81/89/646778189.db2.gz STDKSUOIGHMJON-LBPRGKRZSA-N 2 2 267.392 2.451 20 10 CECDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000779064238 647284722 /nfs/dbraw/zinc/28/47/22/647284722.db2.gz HPJYTHKFDUHKRK-NWDGAFQWSA-N 2 2 287.363 2.263 20 10 CECDLP Cc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1O ZINC000124727176 649730682 /nfs/dbraw/zinc/73/06/82/649730682.db2.gz PAKKMLWPIAWZHT-UHFFFAOYSA-N 2 2 259.353 2.467 20 10 CECDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124812549 649746583 /nfs/dbraw/zinc/74/65/83/649746583.db2.gz HDAAJOFFMWLHLE-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124812549 649746586 /nfs/dbraw/zinc/74/65/86/649746586.db2.gz HDAAJOFFMWLHLE-NSHDSACASA-N 2 2 268.788 2.477 20 10 CECDLP [NH3+][C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1F ZINC001206197238 815639476 /nfs/dbraw/zinc/63/94/76/815639476.db2.gz HAXGCVLAWVXRIA-GXSJLCMTSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1F ZINC001206197238 815639483 /nfs/dbraw/zinc/63/94/83/815639483.db2.gz HAXGCVLAWVXRIA-GXSJLCMTSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@H]1CCCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000708996696 809940070 /nfs/dbraw/zinc/94/00/70/809940070.db2.gz ZTSDLASBRHPXCY-ZDUSSCGKSA-N 2 2 252.333 2.235 20 10 CECDLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000708996696 809940076 /nfs/dbraw/zinc/94/00/76/809940076.db2.gz ZTSDLASBRHPXCY-ZDUSSCGKSA-N 2 2 252.333 2.235 20 10 CECDLP C[N@H+](Cc1cc(Br)ccc1O)C1(C[NH3+])CCC1 ZINC000385161046 813128842 /nfs/dbraw/zinc/12/88/42/813128842.db2.gz KBHBPWFHZLLDNG-UHFFFAOYSA-N 2 2 299.212 2.468 20 10 CECDLP C[N@@H+](Cc1cc(Br)ccc1O)C1(C[NH3+])CCC1 ZINC000385161046 813128849 /nfs/dbraw/zinc/12/88/49/813128849.db2.gz KBHBPWFHZLLDNG-UHFFFAOYSA-N 2 2 299.212 2.468 20 10 CECDLP CCOc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1O ZINC000385423007 813138916 /nfs/dbraw/zinc/13/89/16/813138916.db2.gz BNACDYAEUWJUFJ-UHFFFAOYSA-N 2 2 264.369 2.104 20 10 CECDLP CCOc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1O ZINC000385423007 813138921 /nfs/dbraw/zinc/13/89/21/813138921.db2.gz BNACDYAEUWJUFJ-UHFFFAOYSA-N 2 2 264.369 2.104 20 10 CECDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1O ZINC000185116069 262042038 /nfs/dbraw/zinc/04/20/38/262042038.db2.gz FHNKEJXAULLFCB-GFCCVEGCSA-N 2 2 296.386 2.029 20 10 CECDLP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000185504724 262057183 /nfs/dbraw/zinc/05/71/83/262057183.db2.gz GQSGABZFUCWGEE-HUUCEWRRSA-N 2 2 292.423 2.320 20 10 CECDLP CC[C@@H]([NH2+]CC[N@H+](C)CCOC)c1ccccc1O ZINC000061375158 522833143 /nfs/dbraw/zinc/83/31/43/522833143.db2.gz BFWMAMWBURYEPS-CQSZACIVSA-N 2 2 266.385 2.011 20 10 CECDLP CC[C@@H]([NH2+]CC[N@@H+](C)CCOC)c1ccccc1O ZINC000061375158 522833147 /nfs/dbraw/zinc/83/31/47/522833147.db2.gz BFWMAMWBURYEPS-CQSZACIVSA-N 2 2 266.385 2.011 20 10 CECDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1O ZINC000902450624 634673437 /nfs/dbraw/zinc/67/34/37/634673437.db2.gz UJMNELXZUOHTHY-RNCFNFMXSA-N 2 2 252.333 2.180 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000840935677 628753184 /nfs/dbraw/zinc/75/31/84/628753184.db2.gz AADAPMAARJZXCL-AWEZNQCLSA-N 2 2 275.440 2.492 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000840935677 628753186 /nfs/dbraw/zinc/75/31/86/628753186.db2.gz AADAPMAARJZXCL-AWEZNQCLSA-N 2 2 275.440 2.492 20 10 CECDLP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841032339 631820616 /nfs/dbraw/zinc/82/06/16/631820616.db2.gz CPXZDJQUHUWGEE-LBPRGKRZSA-N 2 2 299.212 2.386 20 10 CECDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000817900432 633760855 /nfs/dbraw/zinc/76/08/55/633760855.db2.gz MTNMALYYXADGKL-BBRMVZONSA-N 2 2 273.424 2.157 20 10 CECDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1O ZINC000817964547 633806826 /nfs/dbraw/zinc/80/68/26/633806826.db2.gz CHXNDYQYBPDYRH-CHWSQXEVSA-N 2 2 252.333 2.309 20 10 CECDLP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1O ZINC000817970416 633814181 /nfs/dbraw/zinc/81/41/81/633814181.db2.gz VBHDUXMXQCNFIH-DTWKUNHWSA-N 2 2 287.201 2.461 20 10 CECDLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(F)cc1O ZINC000817973987 633817211 /nfs/dbraw/zinc/81/72/11/633817211.db2.gz HXUAYHGURKGTMC-HOCLYGCPSA-N 2 2 296.386 2.341 20 10 CECDLP Cc1cc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)ccc1N(C)C ZINC000903872293 635321385 /nfs/dbraw/zinc/32/13/85/635321385.db2.gz YPKIESHXSJMPGX-QGZVFWFLSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(C[N@H+]2CCC[C@]23CC[NH2+]C3)ccc1N(C)C ZINC000903872293 635321389 /nfs/dbraw/zinc/32/13/89/635321389.db2.gz YPKIESHXSJMPGX-QGZVFWFLSA-N 2 2 273.424 2.389 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000904460995 635644119 /nfs/dbraw/zinc/64/41/19/635644119.db2.gz DAFCHYPNFIRWHJ-OAHLLOKOSA-N 2 2 261.413 2.149 20 10 CECDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c(O)c1 ZINC000876880615 650470619 /nfs/dbraw/zinc/47/06/19/650470619.db2.gz LGFVORBXXUBMNZ-MRXNPFEDSA-N 2 2 292.423 2.147 20 10 CECDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c(O)c1 ZINC000876880615 650470620 /nfs/dbraw/zinc/47/06/20/650470620.db2.gz LGFVORBXXUBMNZ-MRXNPFEDSA-N 2 2 292.423 2.147 20 10 CECDLP CCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(O)c1 ZINC000841033620 639626535 /nfs/dbraw/zinc/62/65/35/639626535.db2.gz XXIJLLUYCWBVPJ-CYBMUJFWSA-N 2 2 264.369 2.023 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC000841061178 639636229 /nfs/dbraw/zinc/63/62/29/639636229.db2.gz FWGQDNUZVGBHAB-MWLCHTKSSA-N 2 2 254.761 2.276 20 10 CECDLP CCOc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1O ZINC000841091337 639654583 /nfs/dbraw/zinc/65/45/83/639654583.db2.gz VQDVKICDKYCHLY-ZDUSSCGKSA-N 2 2 264.369 2.023 20 10 CECDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1O ZINC000842476089 640074902 /nfs/dbraw/zinc/07/49/02/640074902.db2.gz GHKPCWVEZFYJPI-HFBDOXOYSA-N 2 2 294.370 2.210 20 10 CECDLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c(O)c1 ZINC000843051955 640255316 /nfs/dbraw/zinc/25/53/16/640255316.db2.gz NDEPWYXZZKBUHU-IUODEOHRSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c(O)c1 ZINC000843051955 640255318 /nfs/dbraw/zinc/25/53/18/640255318.db2.gz NDEPWYXZZKBUHU-IUODEOHRSA-N 2 2 278.396 2.350 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057674 640260205 /nfs/dbraw/zinc/26/02/05/640260205.db2.gz QNWRQSALDOKRMO-RKDXNWHRSA-N 2 2 272.751 2.354 20 10 CECDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843057674 640260210 /nfs/dbraw/zinc/26/02/10/640260210.db2.gz QNWRQSALDOKRMO-RKDXNWHRSA-N 2 2 272.751 2.354 20 10 CECDLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000922140250 642902340 /nfs/dbraw/zinc/90/23/40/642902340.db2.gz VIETYSGFMXPGIU-AWEZNQCLSA-N 2 2 283.375 2.382 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000923295449 643647441 /nfs/dbraw/zinc/64/74/41/643647441.db2.gz WXUAQEXEPOIIOC-OAHLLOKOSA-N 2 2 261.413 2.245 20 10 CECDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000923295449 643647442 /nfs/dbraw/zinc/64/74/42/643647442.db2.gz WXUAQEXEPOIIOC-OAHLLOKOSA-N 2 2 261.413 2.245 20 10 CECDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858093565 645059194 /nfs/dbraw/zinc/05/91/94/645059194.db2.gz BHOXURUHGYHBQT-NSHDSACASA-N 2 2 294.349 2.406 20 10 CECDLP COc1cccc(O)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000769485396 646276448 /nfs/dbraw/zinc/27/64/48/646276448.db2.gz QMRCDDPAYMSTNH-CHWSQXEVSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000769485396 646276450 /nfs/dbraw/zinc/27/64/50/646276450.db2.gz QMRCDDPAYMSTNH-CHWSQXEVSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000769485396 646276453 /nfs/dbraw/zinc/27/64/53/646276453.db2.gz QMRCDDPAYMSTNH-CHWSQXEVSA-N 2 2 278.396 2.315 20 10 CECDLP COc1cccc(O)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000769485396 646276458 /nfs/dbraw/zinc/27/64/58/646276458.db2.gz QMRCDDPAYMSTNH-CHWSQXEVSA-N 2 2 278.396 2.315 20 10 CECDLP CCOc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230014 649601235 /nfs/dbraw/zinc/60/12/35/649601235.db2.gz KWGDYYVHESDAQA-GDBMZVCRSA-N 2 2 276.380 2.165 20 10 CECDLP CN(C)c1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1F ZINC000873230057 649601583 /nfs/dbraw/zinc/60/15/83/649601583.db2.gz LPTXTRAYQKUUQJ-JKSUJKDBSA-N 2 2 277.387 2.266 20 10 CECDLP C[C@@]1([NH3+])CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204782465 805952401 /nfs/dbraw/zinc/95/24/01/805952401.db2.gz FJBZUAJJBSFFPT-GOSISDBHSA-N 2 2 285.435 2.309 20 10 CECDLP C[C@@]1([NH3+])CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204782465 805952406 /nfs/dbraw/zinc/95/24/06/805952406.db2.gz FJBZUAJJBSFFPT-GOSISDBHSA-N 2 2 285.435 2.309 20 10 CECDLP COc1cc(Cl)cc(C[N@H+](C)C2(C[NH3+])CCC2)c1O ZINC000385500626 813138442 /nfs/dbraw/zinc/13/84/42/813138442.db2.gz QFTZELACIZFSTQ-UHFFFAOYSA-N 2 2 284.787 2.367 20 10 CECDLP COc1cc(Cl)cc(C[N@@H+](C)C2(C[NH3+])CCC2)c1O ZINC000385500626 813138445 /nfs/dbraw/zinc/13/84/45/813138445.db2.gz QFTZELACIZFSTQ-UHFFFAOYSA-N 2 2 284.787 2.367 20 10 CECDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1O ZINC001140953853 816423278 /nfs/dbraw/zinc/42/32/78/816423278.db2.gz HXYNXCRETXGNST-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1O ZINC001140953853 816423284 /nfs/dbraw/zinc/42/32/84/816423284.db2.gz HXYNXCRETXGNST-UHFFFAOYSA-N 2 2 259.353 2.419 20 10 CECDLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(F)c1O ZINC000191181506 369688192 /nfs/dbraw/zinc/68/81/92/369688192.db2.gz GTTGTFSAYUBDTA-VIFPVBQESA-N 2 2 258.312 2.273 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1O ZINC000368103785 373219185 /nfs/dbraw/zinc/21/91/85/373219185.db2.gz YQDCMIRDHZZZIN-GXSJLCMTSA-N 2 2 275.327 2.463 20 10 CECDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1O ZINC000368103785 373219195 /nfs/dbraw/zinc/21/91/95/373219195.db2.gz YQDCMIRDHZZZIN-GXSJLCMTSA-N 2 2 275.327 2.463 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000368102825 373219779 /nfs/dbraw/zinc/21/97/79/373219779.db2.gz QAHYOHIDGKPKSX-MNOVXSKESA-N 2 2 287.363 2.332 20 10 CECDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000368102825 373219782 /nfs/dbraw/zinc/21/97/82/373219782.db2.gz QAHYOHIDGKPKSX-MNOVXSKESA-N 2 2 287.363 2.332 20 10 CECDLP CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272609191 373580903 /nfs/dbraw/zinc/58/09/03/373580903.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272609191 373580909 /nfs/dbraw/zinc/58/09/09/373580909.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272609191 373580911 /nfs/dbraw/zinc/58/09/11/373580911.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 2 2 290.407 2.317 20 10 CECDLP CCOc1ccc(O)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272609191 373580917 /nfs/dbraw/zinc/58/09/17/373580917.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 2 2 290.407 2.317 20 10 CECDLP COc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000368134291 394979356 /nfs/dbraw/zinc/97/93/56/394979356.db2.gz LOZWOGXCEDREFR-ZDUSSCGKSA-N 2 2 287.363 2.124 20 10 CECDLP COc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000368134291 394979360 /nfs/dbraw/zinc/97/93/60/394979360.db2.gz LOZWOGXCEDREFR-ZDUSSCGKSA-N 2 2 287.363 2.124 20 10 CECDLP CC[N@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000158786358 276071361 /nfs/dbraw/zinc/07/13/61/276071361.db2.gz AOCVBOOSVNUSAD-UHFFFAOYSA-N 2 2 291.439 2.205 20 10 CECDLP CC[N@@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000158786358 276071362 /nfs/dbraw/zinc/07/13/62/276071362.db2.gz AOCVBOOSVNUSAD-UHFFFAOYSA-N 2 2 291.439 2.205 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530179299 313280740 /nfs/dbraw/zinc/28/07/40/313280740.db2.gz SKKWZARDAMZDEE-ZDUSSCGKSA-N 2 2 296.798 2.428 20 10 CECDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000377881911 329033127 /nfs/dbraw/zinc/03/31/27/329033127.db2.gz AWGPCVGKHGSTRI-LLVKDONJSA-N 2 2 275.327 2.254 20 10 CECDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000377881911 329033128 /nfs/dbraw/zinc/03/31/28/329033128.db2.gz AWGPCVGKHGSTRI-LLVKDONJSA-N 2 2 275.327 2.254 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)ccc1O ZINC000251791526 334369788 /nfs/dbraw/zinc/36/97/88/334369788.db2.gz VZBKCRZSEROYNE-UBHSHLNASA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)ccc1O ZINC000251791526 334369789 /nfs/dbraw/zinc/36/97/89/334369789.db2.gz VZBKCRZSEROYNE-UBHSHLNASA-N 2 2 294.370 2.045 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000079435161 518287834 /nfs/dbraw/zinc/28/78/34/518287834.db2.gz LUIZXYUNMCOJOV-LBPRGKRZSA-N 2 2 294.370 2.117 20 10 CECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000079435161 518287839 /nfs/dbraw/zinc/28/78/39/518287839.db2.gz LUIZXYUNMCOJOV-LBPRGKRZSA-N 2 2 294.370 2.117 20 10 CECDLP C[NH2+]C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000310341898 625481087 /nfs/dbraw/zinc/48/10/87/625481087.db2.gz ODMXJPLTPUDXJL-UHFFFAOYSA-N 2 2 254.761 2.229 20 10 CECDLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448064 634671194 /nfs/dbraw/zinc/67/11/94/634671194.db2.gz XNAGISPLYRTMEW-DOMZBBRYSA-N 2 2 261.413 2.401 20 10 CECDLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925788129 628828610 /nfs/dbraw/zinc/82/86/10/628828610.db2.gz YJMTTZJCKYNJAA-UHOFOFEASA-N 2 2 261.413 2.401 20 10 CECDLP CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1F ZINC000897621579 631825745 /nfs/dbraw/zinc/82/57/45/631825745.db2.gz JGECZOVOFDWDOL-WMLDXEAASA-N 2 2 291.414 2.275 20 10 CECDLP CN(C)c1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1F ZINC000897621579 631825753 /nfs/dbraw/zinc/82/57/53/631825753.db2.gz JGECZOVOFDWDOL-WMLDXEAASA-N 2 2 291.414 2.275 20 10 CECDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1F ZINC000897621579 631825755 /nfs/dbraw/zinc/82/57/55/631825755.db2.gz JGECZOVOFDWDOL-WMLDXEAASA-N 2 2 291.414 2.275 20 10 CECDLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1F ZINC000897621579 631825760 /nfs/dbraw/zinc/82/57/60/631825760.db2.gz JGECZOVOFDWDOL-WMLDXEAASA-N 2 2 291.414 2.275 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000817902847 633764166 /nfs/dbraw/zinc/76/41/66/633764166.db2.gz ZKQSRGFBQONGEZ-DOMZBBRYSA-N 2 2 260.381 2.242 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940885 633789773 /nfs/dbraw/zinc/78/97/73/633789773.db2.gz LWGVLZUMHYQXIA-GUYJKWIASA-N 2 2 261.413 2.387 20 10 CECDLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000817952167 633796324 /nfs/dbraw/zinc/79/63/24/633796324.db2.gz OJFPKPNZPDZVLO-VIFPVBQESA-N 2 2 287.201 2.415 20 10 CECDLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1O ZINC000817959610 633801225 /nfs/dbraw/zinc/80/12/25/633801225.db2.gz DIXCFWLTUAJYIB-STQMWFEESA-N 2 2 252.333 2.309 20 10 CECDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817969572 633811350 /nfs/dbraw/zinc/81/13/50/633811350.db2.gz XMPJMWMKSLIYNG-HOSYDEDBSA-N 2 2 264.344 2.421 20 10 CECDLP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000817976583 633820039 /nfs/dbraw/zinc/82/00/39/633820039.db2.gz OGDVTOLMXNWHRQ-ZANVPECISA-N 2 2 282.334 2.463 20 10 CECDLP CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000903938900 635357165 /nfs/dbraw/zinc/35/71/65/635357165.db2.gz PKBJSLQFTGXMKD-UHFFFAOYSA-N 2 2 260.740 2.402 20 10 CECDLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000904465329 635636360 /nfs/dbraw/zinc/63/63/60/635636360.db2.gz ZJUMZGVTTZLGIX-GFCCVEGCSA-N 2 2 299.212 2.242 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000841043659 639630899 /nfs/dbraw/zinc/63/08/99/639630899.db2.gz UUKMHSCAZSIUPE-OAHLLOKOSA-N 2 2 261.413 2.374 20 10 CECDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC[NH2+]1 ZINC000841061177 639637104 /nfs/dbraw/zinc/63/71/04/639637104.db2.gz FWGQDNUZVGBHAB-KOLCDFICSA-N 2 2 254.761 2.276 20 10 CECDLP [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000843047789 640253014 /nfs/dbraw/zinc/25/30/14/640253014.db2.gz VGTMKOIJZZQGSI-SNVBAGLBSA-N 2 2 254.761 2.216 20 10 CECDLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000843047789 640253017 /nfs/dbraw/zinc/25/30/17/640253017.db2.gz VGTMKOIJZZQGSI-SNVBAGLBSA-N 2 2 254.761 2.216 20 10 CECDLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c(O)c1 ZINC000843051954 640254712 /nfs/dbraw/zinc/25/47/12/640254712.db2.gz NDEPWYXZZKBUHU-DOMZBBRYSA-N 2 2 278.396 2.350 20 10 CECDLP CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c(O)c1 ZINC000843051954 640254716 /nfs/dbraw/zinc/25/47/16/640254716.db2.gz NDEPWYXZZKBUHU-DOMZBBRYSA-N 2 2 278.396 2.350 20 10 CECDLP C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1[NH3+] ZINC000843052025 640255115 /nfs/dbraw/zinc/25/51/15/640255115.db2.gz OROTUMJYBITVGJ-BXKDBHETSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1[NH3+] ZINC000843052025 640255119 /nfs/dbraw/zinc/25/51/19/640255119.db2.gz OROTUMJYBITVGJ-BXKDBHETSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1O ZINC000843057874 640259703 /nfs/dbraw/zinc/25/97/03/640259703.db2.gz NFFQESDXLDGPEL-VHSXEESVSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1O ZINC000843057874 640259709 /nfs/dbraw/zinc/25/97/09/640259709.db2.gz NFFQESDXLDGPEL-VHSXEESVSA-N 2 2 299.212 2.324 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1O ZINC000843058522 640261097 /nfs/dbraw/zinc/26/10/97/640261097.db2.gz VBMSODVKMFUOCS-VHSXEESVSA-N 2 2 254.761 2.215 20 10 CECDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)c1O ZINC000843058522 640261099 /nfs/dbraw/zinc/26/10/99/640261099.db2.gz VBMSODVKMFUOCS-VHSXEESVSA-N 2 2 254.761 2.215 20 10 CECDLP Oc1c(F)cccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000843129005 640295571 /nfs/dbraw/zinc/29/55/71/640295571.db2.gz OEHMMUHQRXLMQQ-ZDUSSCGKSA-N 2 2 264.344 2.296 20 10 CECDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1O ZINC000848919389 642192087 /nfs/dbraw/zinc/19/20/87/642192087.db2.gz KHFYGQDKJAMMIR-HIFRSBDPSA-N 2 2 290.407 2.296 20 10 CECDLP C[NH2+]CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000923433543 643711104 /nfs/dbraw/zinc/71/11/04/643711104.db2.gz UTSVDSONLNYSFP-UHFFFAOYSA-N 2 2 263.429 2.491 20 10 CECDLP C[NH2+]CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000923433543 643711108 /nfs/dbraw/zinc/71/11/08/643711108.db2.gz UTSVDSONLNYSFP-UHFFFAOYSA-N 2 2 263.429 2.491 20 10 CECDLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000853248637 643722052 /nfs/dbraw/zinc/72/20/52/643722052.db2.gz HZGAVYPUPKEPBF-VIFPVBQESA-N 2 2 287.201 2.161 20 10 CECDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000863542021 646752118 /nfs/dbraw/zinc/75/21/18/646752118.db2.gz DJUWHNZCQOTFOF-TVYUQYBPSA-N 2 2 252.333 2.322 20 10 CECDLP C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650593 646777382 /nfs/dbraw/zinc/77/73/82/646777382.db2.gz WASOWMFZVSCUTO-SBAHZNLJSA-N 2 2 273.424 2.496 20 10 CECDLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000778187893 647207059 /nfs/dbraw/zinc/20/70/59/647207059.db2.gz NDWNSUSYDIXPOT-AWEZNQCLSA-N 2 2 271.364 2.305 20 10 CECDLP COc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230230 649601644 /nfs/dbraw/zinc/60/16/44/649601644.db2.gz NSKWETAAYFZRQB-HZPDHXFCSA-N 2 2 260.381 2.378 20 10 CECDLP COc1cc(Cl)cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230756 649602798 /nfs/dbraw/zinc/60/27/98/649602798.db2.gz XRMAKNAPTKPZFV-ZFWWWQNUSA-N 2 2 296.798 2.428 20 10 CECDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124812309 649746730 /nfs/dbraw/zinc/74/67/30/649746730.db2.gz HDAAJOFFMWLHLE-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124812309 649746733 /nfs/dbraw/zinc/74/67/33/649746733.db2.gz HDAAJOFFMWLHLE-LLVKDONJSA-N 2 2 268.788 2.477 20 10 CECDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204772669 805811602 /nfs/dbraw/zinc/81/16/02/805811602.db2.gz XRFOFTBPQLCPEH-MRXNPFEDSA-N 2 2 259.397 2.210 20 10 CECDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204772669 805811611 /nfs/dbraw/zinc/81/16/11/805811611.db2.gz XRFOFTBPQLCPEH-MRXNPFEDSA-N 2 2 259.397 2.210 20 10 CECDLP C[N@H+](Cc1cc(F)ccc1O)C1CC[NH+](C)CC1 ZINC000234326357 814414183 /nfs/dbraw/zinc/41/41/83/814414183.db2.gz RJHUYQYHLKWJSN-UHFFFAOYSA-N 2 2 252.333 2.057 20 10 CECDLP C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH+](C)CC1 ZINC000234326357 814414187 /nfs/dbraw/zinc/41/41/87/814414187.db2.gz RJHUYQYHLKWJSN-UHFFFAOYSA-N 2 2 252.333 2.057 20 10 CECDLP [NH3+][C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1F ZINC001206197248 815639435 /nfs/dbraw/zinc/63/94/35/815639435.db2.gz HAXGCVLAWVXRIA-ONGXEEELSA-N 2 2 290.741 2.446 20 10 CECDLP [NH3+][C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC[C@@H]1F ZINC001206197248 815639438 /nfs/dbraw/zinc/63/94/38/815639438.db2.gz HAXGCVLAWVXRIA-ONGXEEELSA-N 2 2 290.741 2.446 20 10 CECDLP Cc1ccc(C)c(C[N@@H+]2CC[NH+]3CCC2CC3)c1O ZINC001140184022 816206388 /nfs/dbraw/zinc/20/63/88/816206388.db2.gz KEMAFDLNJVWWAJ-UHFFFAOYSA-N 2 2 260.381 2.289 20 10 CECDLP Cc1ccc(C)c(C[N@H+]2CC[NH+]3CCC2CC3)c1O ZINC001140184022 816206393 /nfs/dbraw/zinc/20/63/93/816206393.db2.gz KEMAFDLNJVWWAJ-UHFFFAOYSA-N 2 2 260.381 2.289 20 10 CECDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526952 816680575 /nfs/dbraw/zinc/68/05/75/816680575.db2.gz CRVHPJOEWFOBPF-OAHLLOKOSA-N 2 2 282.334 2.198 20 10 CECDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526952 816680580 /nfs/dbraw/zinc/68/05/80/816680580.db2.gz CRVHPJOEWFOBPF-OAHLLOKOSA-N 2 2 282.334 2.198 20 10 CECDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526952 816680586 /nfs/dbraw/zinc/68/05/86/816680586.db2.gz CRVHPJOEWFOBPF-OAHLLOKOSA-N 2 2 282.334 2.198 20 10 CECDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526952 816680588 /nfs/dbraw/zinc/68/05/88/816680588.db2.gz CRVHPJOEWFOBPF-OAHLLOKOSA-N 2 2 282.334 2.198 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272261097 373393017 /nfs/dbraw/zinc/39/30/17/373393017.db2.gz ARCLJNKWMYBRKH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272261097 373393018 /nfs/dbraw/zinc/39/30/18/373393018.db2.gz ARCLJNKWMYBRKH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272261097 373393023 /nfs/dbraw/zinc/39/30/23/373393023.db2.gz ARCLJNKWMYBRKH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272261097 373393024 /nfs/dbraw/zinc/39/30/24/373393024.db2.gz ARCLJNKWMYBRKH-DZGCQCFKSA-N 2 2 260.381 2.227 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000122328349 262347613 /nfs/dbraw/zinc/34/76/13/262347613.db2.gz DVCJRSVYSXVPTC-HIFRSBDPSA-N 2 2 273.424 2.467 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C[N@H+]1C1CC1 ZINC000122328349 262347615 /nfs/dbraw/zinc/34/76/15/262347615.db2.gz DVCJRSVYSXVPTC-HIFRSBDPSA-N 2 2 273.424 2.467 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1O ZINC000252548371 334382506 /nfs/dbraw/zinc/38/25/06/334382506.db2.gz MMTTXRKKFWXDJA-FPMFFAJLSA-N 2 2 294.370 2.045 20 10 CECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1O ZINC000252548371 334382507 /nfs/dbraw/zinc/38/25/07/334382507.db2.gz MMTTXRKKFWXDJA-FPMFFAJLSA-N 2 2 294.370 2.045 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000840928770 628733894 /nfs/dbraw/zinc/73/38/94/628733894.db2.gz IYCQGXJNNRZOPH-CQSZACIVSA-N 2 2 272.396 2.436 20 10 CECDLP CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000841033267 631821686 /nfs/dbraw/zinc/82/16/86/631821686.db2.gz MGTODXOFZSMLME-SQRWCISFSA-N 2 2 273.424 2.498 20 10 CECDLP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1Cl ZINC000825720746 635702902 /nfs/dbraw/zinc/70/29/02/635702902.db2.gz KEPASKMWKQWNRX-BETUJISGSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1Cl ZINC000825720746 635702905 /nfs/dbraw/zinc/70/29/05/635702905.db2.gz KEPASKMWKQWNRX-BETUJISGSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1Cl ZINC000825720746 635702908 /nfs/dbraw/zinc/70/29/08/635702908.db2.gz KEPASKMWKQWNRX-BETUJISGSA-N 2 2 280.799 2.347 20 10 CECDLP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1Cl ZINC000825720746 635702910 /nfs/dbraw/zinc/70/29/10/635702910.db2.gz KEPASKMWKQWNRX-BETUJISGSA-N 2 2 280.799 2.347 20 10 CECDLP CCO[C@H](C[NH2+][C@@H](CC)c1ccccc1O)C[NH+](C)C ZINC000926958247 632385954 /nfs/dbraw/zinc/38/59/54/632385954.db2.gz FIBNYHLDSLSSCY-HIFRSBDPSA-N 2 2 280.412 2.400 20 10 CECDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C[NH+](C)C ZINC000926959239 632386257 /nfs/dbraw/zinc/38/62/57/632386257.db2.gz AOUJNJBYVSBQHB-PBHICJAKSA-N 2 2 293.455 2.370 20 10 CECDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939169 633788502 /nfs/dbraw/zinc/78/85/02/633788502.db2.gz AAPDPVRLNKBLQB-SUMWQHHRSA-N 2 2 284.407 2.498 20 10 CECDLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@H]1C ZINC000817943279 633790657 /nfs/dbraw/zinc/79/06/57/633790657.db2.gz TYDOUMUGTXORHW-KNPMLCFXSA-N 2 2 261.413 2.387 20 10 CECDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945224 633792086 /nfs/dbraw/zinc/79/20/86/633792086.db2.gz XMXIMGCVTGDOJT-RISCZKNCSA-N 2 2 260.381 2.284 20 10 CECDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945225 633792356 /nfs/dbraw/zinc/79/23/56/633792356.db2.gz XMXIMGCVTGDOJT-SMDDNHRTSA-N 2 2 260.381 2.284 20 10 CECDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cc(F)ccc1O ZINC000817967852 633810562 /nfs/dbraw/zinc/81/05/62/633810562.db2.gz CUQOZQLSCURHAT-GBIKHYSHSA-N 2 2 252.333 2.180 20 10 CECDLP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000817977254 633820027 /nfs/dbraw/zinc/82/00/27/633820027.db2.gz FQCVEMUFUAJRFJ-IUCAKERBSA-N 2 2 258.312 2.448 20 10 CECDLP CCN(CC)c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960756 635370692 /nfs/dbraw/zinc/37/06/92/635370692.db2.gz YBUPHYYSYSKEIR-CZUORRHYSA-N 2 2 261.413 2.230 20 10 CECDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955843 635389182 /nfs/dbraw/zinc/38/91/82/635389182.db2.gz ZYTJRVXNANESDN-VIFPVBQESA-N 2 2 290.741 2.380 20 10 CECDLP Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000834808232 637956788 /nfs/dbraw/zinc/95/67/88/637956788.db2.gz YPFPJXSCJCUKFI-AAEUAGOBSA-N 2 2 269.348 2.250 20 10 CECDLP Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036405 639628053 /nfs/dbraw/zinc/62/80/53/639628053.db2.gz MTVKMIAQNAVLEA-JTQLQIEISA-N 2 2 299.212 2.244 20 10 CECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000841046260 639630748 /nfs/dbraw/zinc/63/07/48/639630748.db2.gz YQKPPYSBDZGIAR-SWLSCSKDSA-N 2 2 279.453 2.095 20 10 CECDLP Oc1c(Cl)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058865 639636550 /nfs/dbraw/zinc/63/65/50/639636550.db2.gz WPIPDIFDATYRJN-NSHDSACASA-N 2 2 254.761 2.277 20 10 CECDLP Cc1cc(Br)c(O)c(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000841077074 639647535 /nfs/dbraw/zinc/64/75/35/639647535.db2.gz YDHXWYIZBWMPLZ-RKDXNWHRSA-N 2 2 287.201 2.288 20 10 CECDLP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000841084653 639650261 /nfs/dbraw/zinc/65/02/61/639650261.db2.gz MNQSMHHSVMEDJH-KWQFWETISA-N 2 2 272.751 2.402 20 10 CECDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000841085657 639651756 /nfs/dbraw/zinc/65/17/56/639651756.db2.gz JHRAAZWPUDGIGW-LBPRGKRZSA-N 2 2 254.761 2.276 20 10 CECDLP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863649314 646776380 /nfs/dbraw/zinc/77/63/80/646776380.db2.gz CEOMLPHMYXJFOD-HIFRSBDPSA-N 2 2 261.413 2.291 20 10 CECDLP COc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230229 649601631 /nfs/dbraw/zinc/60/16/31/649601631.db2.gz NSKWETAAYFZRQB-HOTGVXAUSA-N 2 2 260.381 2.378 20 10 CECDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)F ZINC000883407544 652459776 /nfs/dbraw/zinc/45/97/76/652459776.db2.gz YLWTYOBYUDLXGG-GFCCVEGCSA-N 2 2 283.366 2.182 20 10 CECDLP