smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1cccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000216625490 364042705 /nfs/dbraw/zinc/04/27/05/364042705.db2.gz XHBAVBNKOVUULU-CABCVRRESA-N 2 1 273.380 1.502 20 70 CDIDMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160808751 521665236 /nfs/dbraw/zinc/66/52/36/521665236.db2.gz GMAIIGGBYRJARS-CQSZACIVSA-N 2 1 294.443 1.350 20 70 CDIDMP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160808751 521665237 /nfs/dbraw/zinc/66/52/37/521665237.db2.gz GMAIIGGBYRJARS-CQSZACIVSA-N 2 1 294.443 1.350 20 70 CDIDMP C[N@H+](CCC[NH+]1CCCCC1)CCn1cccn1 ZINC000161355220 522749491 /nfs/dbraw/zinc/74/94/91/522749491.db2.gz INGVJVWMOCCYNW-UHFFFAOYSA-N 2 1 250.390 1.691 20 70 CDIDMP C[N@@H+](CCC[NH+]1CCCCC1)CCn1cccn1 ZINC000161355220 522749498 /nfs/dbraw/zinc/74/94/98/522749498.db2.gz INGVJVWMOCCYNW-UHFFFAOYSA-N 2 1 250.390 1.691 20 70 CDIDMP CCSCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000159569775 362344742 /nfs/dbraw/zinc/34/47/42/362344742.db2.gz PZHVSWAJPVEGNN-KBPBESRZSA-N 2 1 299.484 1.320 20 70 CDIDMP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000159904043 362379203 /nfs/dbraw/zinc/37/92/03/362379203.db2.gz JQDDGXOXZDIBTO-JKSUJKDBSA-N 3 1 265.445 1.935 20 70 CDIDMP Brc1c[nH+]ccc1NC[C@H]1C[NH2+]CCO1 ZINC000159925840 362380382 /nfs/dbraw/zinc/38/03/82/362380382.db2.gz RGUMCLCNNZNPTN-MRVPVSSYSA-N 2 1 272.146 1.244 20 70 CDIDMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160686975 346194428 /nfs/dbraw/zinc/19/44/28/346194428.db2.gz SWJVJMVPSFBPGH-GJZGRUSLSA-N 2 1 294.443 1.206 20 70 CDIDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000159525057 364226755 /nfs/dbraw/zinc/22/67/55/364226755.db2.gz PDWUYYWJRGKTNT-DLBZAZTESA-N 2 1 276.424 1.864 20 70 CDIDMP COC(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000161197571 292079342 /nfs/dbraw/zinc/07/93/42/292079342.db2.gz PDUVLFNAMFFIBG-CYBMUJFWSA-N 2 1 256.390 1.556 20 70 CDIDMP COC(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)OC ZINC000161197571 292079344 /nfs/dbraw/zinc/07/93/44/292079344.db2.gz PDUVLFNAMFFIBG-CYBMUJFWSA-N 2 1 256.390 1.556 20 70 CDIDMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[NH3+] ZINC000218288239 342439609 /nfs/dbraw/zinc/43/96/09/342439609.db2.gz GTGCWBDRTBWCMU-GFCCVEGCSA-N 2 1 252.358 1.573 20 70 CDIDMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000159571400 362452145 /nfs/dbraw/zinc/45/21/45/362452145.db2.gz OXXGCYOTPCTOQZ-CABCVRRESA-N 2 1 283.460 1.953 20 70 CDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160681954 299289613 /nfs/dbraw/zinc/28/96/13/299289613.db2.gz VEHVEKVQMIMVAQ-SOUVJXGZSA-N 2 1 270.417 1.238 20 70 CDIDMP Cc1nn(C)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161186770 366015571 /nfs/dbraw/zinc/01/55/71/366015571.db2.gz VTAVTLGXFNUJSK-OKILXGFUSA-N 2 1 294.443 1.708 20 70 CDIDMP CC[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000161265104 523663441 /nfs/dbraw/zinc/66/34/41/523663441.db2.gz KCXCCCARCCCVJH-HUUCEWRRSA-N 2 1 254.418 1.955 20 70 CDIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000159525059 528898978 /nfs/dbraw/zinc/89/89/78/528898978.db2.gz MWRHETPGDLQJCI-KGLIPLIRSA-N 2 1 296.459 1.593 20 70 CDIDMP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985126 362385464 /nfs/dbraw/zinc/38/54/64/362385464.db2.gz DIPCHGOTTBCWBC-AAEUAGOBSA-N 2 1 292.379 1.983 20 70 CDIDMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985126 362385469 /nfs/dbraw/zinc/38/54/69/362385469.db2.gz DIPCHGOTTBCWBC-AAEUAGOBSA-N 2 1 292.379 1.983 20 70 CDIDMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000161090555 279334653 /nfs/dbraw/zinc/33/46/53/279334653.db2.gz XYDYKODGINUVCN-STQMWFEESA-N 2 1 255.406 1.173 20 70 CDIDMP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217808192 367257992 /nfs/dbraw/zinc/25/79/92/367257992.db2.gz KUKQOHTWWAVFNX-JYJNAYRXSA-N 2 1 287.407 1.299 20 70 CDIDMP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000217953818 140165201 /nfs/dbraw/zinc/16/52/01/140165201.db2.gz NATBUFQOPXXKJB-HZPDHXFCSA-N 2 1 287.407 1.519 20 70 CDIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC000160935317 358781271 /nfs/dbraw/zinc/78/12/71/358781271.db2.gz SFBRCEFRFNFIPF-HUUCEWRRSA-N 2 1 299.459 1.238 20 70 CDIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC000160935317 358781275 /nfs/dbraw/zinc/78/12/75/358781275.db2.gz SFBRCEFRFNFIPF-HUUCEWRRSA-N 2 1 299.459 1.238 20 70 CDIDMP COCC[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160746092 360918347 /nfs/dbraw/zinc/91/83/47/360918347.db2.gz KZTGATWRQMAYDZ-ZIAGYGMSSA-N 2 1 258.406 1.238 20 70 CDIDMP CC(C)COC(=O)N1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000159788601 364265395 /nfs/dbraw/zinc/26/53/95/364265395.db2.gz KWPPXHMMWJCKKW-UHFFFAOYSA-N 2 1 294.399 1.683 20 70 CDIDMP CC(C)COC(=O)N1CCCN(CCn2ccnc2)CC1 ZINC000159788601 364265396 /nfs/dbraw/zinc/26/53/96/364265396.db2.gz KWPPXHMMWJCKKW-UHFFFAOYSA-N 2 1 294.399 1.683 20 70 CDIDMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000218116108 280090386 /nfs/dbraw/zinc/09/03/86/280090386.db2.gz RUODJAMBJOHMDJ-CABCVRRESA-N 2 1 295.427 1.824 20 70 CDIDMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000218116108 280090388 /nfs/dbraw/zinc/09/03/88/280090388.db2.gz RUODJAMBJOHMDJ-CABCVRRESA-N 2 1 295.427 1.824 20 70 CDIDMP [NH3+]C1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806382 295204262 /nfs/dbraw/zinc/20/42/62/295204262.db2.gz ZZFVXBVDXLWGME-OLZOCXBDSA-N 2 1 265.401 1.391 20 70 CDIDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161348710 519862439 /nfs/dbraw/zinc/86/24/39/519862439.db2.gz WJXMLFIFKUMRHM-FHERZECASA-N 2 1 281.444 1.755 20 70 CDIDMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC)CC1 ZINC000159846701 361878460 /nfs/dbraw/zinc/87/84/60/361878460.db2.gz YLMGKYNGHKAZKR-HNNXBMFYSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159846701 361878464 /nfs/dbraw/zinc/87/84/64/361878464.db2.gz YLMGKYNGHKAZKR-HNNXBMFYSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159846701 361878467 /nfs/dbraw/zinc/87/84/67/361878467.db2.gz YLMGKYNGHKAZKR-HNNXBMFYSA-N 2 1 296.459 1.598 20 70 CDIDMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000217588816 373716387 /nfs/dbraw/zinc/71/63/87/373716387.db2.gz GXSLQCDHBLRLGI-CZUORRHYSA-N 2 1 287.407 1.331 20 70 CDIDMP C[NH2+]C[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000159898719 536469012 /nfs/dbraw/zinc/46/90/12/536469012.db2.gz DMAQOQXLWHFXND-SECBINFHSA-N 2 1 270.174 1.890 20 70 CDIDMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159738505 361821182 /nfs/dbraw/zinc/82/11/82/361821182.db2.gz YZHUPZHVWFPMLD-OAHLLOKOSA-N 2 1 296.459 1.456 20 70 CDIDMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000159738505 361821189 /nfs/dbraw/zinc/82/11/89/361821189.db2.gz YZHUPZHVWFPMLD-OAHLLOKOSA-N 2 1 296.459 1.456 20 70 CDIDMP C[N@H+]1CCC[C@H]1CC[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000161409172 358800940 /nfs/dbraw/zinc/80/09/40/358800940.db2.gz QQRAKARQVHQXSU-KBPBESRZSA-N 2 1 252.402 1.972 20 70 CDIDMP C[NH+]1CCC[C@H]1CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161409172 358800943 /nfs/dbraw/zinc/80/09/43/358800943.db2.gz QQRAKARQVHQXSU-KBPBESRZSA-N 2 1 252.402 1.972 20 70 CDIDMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000160737395 285399251 /nfs/dbraw/zinc/39/92/51/285399251.db2.gz MWUPQZQXZLCYLR-CABCVRRESA-N 2 1 272.433 1.484 20 70 CDIDMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217559294 140163236 /nfs/dbraw/zinc/16/32/36/140163236.db2.gz IBLWRYJKKJTRAR-STQMWFEESA-N 2 1 267.417 1.495 20 70 CDIDMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217559294 140163237 /nfs/dbraw/zinc/16/32/37/140163237.db2.gz IBLWRYJKKJTRAR-STQMWFEESA-N 2 1 267.417 1.495 20 70 CDIDMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[NH3+] ZINC000160051228 528370724 /nfs/dbraw/zinc/37/07/24/528370724.db2.gz CHYNMLZSHWIBRA-UHFFFAOYSA-N 2 1 252.362 1.250 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217393143 140163252 /nfs/dbraw/zinc/16/32/52/140163252.db2.gz QFTOMEFQFZUCEP-STQMWFEESA-N 2 1 267.417 1.495 20 70 CDIDMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCC[NH2+]C1 ZINC000216799953 140163981 /nfs/dbraw/zinc/16/39/81/140163981.db2.gz NXWDLNZDFKNLKE-CYBMUJFWSA-N 2 1 262.353 1.847 20 70 CDIDMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCC[NH2+]C1 ZINC000216799953 140163982 /nfs/dbraw/zinc/16/39/82/140163982.db2.gz NXWDLNZDFKNLKE-CYBMUJFWSA-N 2 1 262.353 1.847 20 70 CDIDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000217938146 536898686 /nfs/dbraw/zinc/89/86/86/536898686.db2.gz ZLGOBLVITBOWLC-OUCADQQQSA-N 2 1 263.385 1.909 20 70 CDIDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000217938146 536898687 /nfs/dbraw/zinc/89/86/87/536898687.db2.gz ZLGOBLVITBOWLC-OUCADQQQSA-N 2 1 263.385 1.909 20 70 CDIDMP CNC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161051607 529901178 /nfs/dbraw/zinc/90/11/78/529901178.db2.gz KOVHENNCHWQUTF-CQSZACIVSA-N 2 1 267.417 1.320 20 70 CDIDMP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000159866744 362376555 /nfs/dbraw/zinc/37/65/55/362376555.db2.gz DPHSJEGIPOXNEK-DTWKUNHWSA-N 2 1 281.322 1.113 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160302714 364331971 /nfs/dbraw/zinc/33/19/71/364331971.db2.gz LNZRLYPTZVDJNS-HZPDHXFCSA-N 2 1 287.407 1.458 20 70 CDIDMP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217804932 367258313 /nfs/dbraw/zinc/25/83/13/367258313.db2.gz JTMJAEMSBATRFM-CABCVRRESA-N 2 1 273.380 1.502 20 70 CDIDMP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000218159733 277328365 /nfs/dbraw/zinc/32/83/65/277328365.db2.gz BOHVQJHHVDNWNJ-OFQRWUPVSA-N 2 1 295.471 1.952 20 70 CDIDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000217636268 538500102 /nfs/dbraw/zinc/50/01/02/538500102.db2.gz QAXLTAGRHDNYQR-IMJJTQAJSA-N 3 1 265.445 1.933 20 70 CDIDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000217636268 538500105 /nfs/dbraw/zinc/50/01/05/538500105.db2.gz QAXLTAGRHDNYQR-IMJJTQAJSA-N 3 1 265.445 1.933 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209986 363758216 /nfs/dbraw/zinc/75/82/16/363758216.db2.gz ZKXXBQQVKRXHSM-BFYDXBDKSA-N 3 1 296.503 1.331 20 70 CDIDMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209986 363758219 /nfs/dbraw/zinc/75/82/19/363758219.db2.gz ZKXXBQQVKRXHSM-BFYDXBDKSA-N 2 1 296.503 1.331 20 70 CDIDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000159525196 364226516 /nfs/dbraw/zinc/22/65/16/364226516.db2.gz PDWUYYWJRGKTNT-IAGOWNOFSA-N 2 1 276.424 1.864 20 70 CDIDMP CC(C)([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000160072587 364301777 /nfs/dbraw/zinc/30/17/77/364301777.db2.gz RHTRJVDWHFNJCF-OAHLLOKOSA-N 2 1 289.423 1.895 20 70 CDIDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1coc2ccccc12 ZINC000161112500 482861311 /nfs/dbraw/zinc/86/13/11/482861311.db2.gz HYULEJPNTURKBI-UHFFFAOYSA-N 2 1 273.380 1.770 20 70 CDIDMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159984906 362385792 /nfs/dbraw/zinc/38/57/92/362385792.db2.gz DIPCHGOTTBCWBC-WCQYABFASA-N 2 1 292.379 1.983 20 70 CDIDMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159984906 362385795 /nfs/dbraw/zinc/38/57/95/362385795.db2.gz DIPCHGOTTBCWBC-WCQYABFASA-N 2 1 292.379 1.983 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000161274410 521424499 /nfs/dbraw/zinc/42/44/99/521424499.db2.gz LKJNOYZUHYERQJ-UHFFFAOYSA-N 2 1 291.439 2.000 20 70 CDIDMP CNC(=O)[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161394893 362952211 /nfs/dbraw/zinc/95/22/11/362952211.db2.gz VCXGBXMFVZRVEV-ZDUSSCGKSA-N 2 1 255.406 1.176 20 70 CDIDMP C(C[N@H+]1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000161285916 391586673 /nfs/dbraw/zinc/58/66/73/391586673.db2.gz MMNZWLGSDKTBQE-QGZVFWFLSA-N 2 1 295.471 1.659 20 70 CDIDMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000217557268 140162631 /nfs/dbraw/zinc/16/26/31/140162631.db2.gz QGIRUMSVNSNRQT-DMRZNYOFSA-N 3 1 265.445 1.979 20 70 CDIDMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000217557268 140162632 /nfs/dbraw/zinc/16/26/32/140162632.db2.gz QGIRUMSVNSNRQT-DMRZNYOFSA-N 3 1 265.445 1.979 20 70 CDIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000161270741 527394111 /nfs/dbraw/zinc/39/41/11/527394111.db2.gz JVZMJKMDTPGZTI-AWEZNQCLSA-N 2 1 251.374 1.676 20 70 CDIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CO)C1 ZINC000161270741 527394117 /nfs/dbraw/zinc/39/41/17/527394117.db2.gz JVZMJKMDTPGZTI-AWEZNQCLSA-N 2 1 251.374 1.676 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000159624376 361756433 /nfs/dbraw/zinc/75/64/33/361756433.db2.gz OOYGMZXJSPVMSU-UHFFFAOYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160737952 280186567 /nfs/dbraw/zinc/18/65/67/280186567.db2.gz WGZPWJBPIMHFOQ-ARFHVFGLSA-N 2 1 284.444 1.628 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000159962241 361975522 /nfs/dbraw/zinc/97/55/22/361975522.db2.gz FQSKDEXBUGBYNL-AWEZNQCLSA-N 2 1 298.475 1.700 20 70 CDIDMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159994769 362385682 /nfs/dbraw/zinc/38/56/82/362385682.db2.gz QNMCMHSKTIILGJ-ZYHUDNBSSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159994769 362385686 /nfs/dbraw/zinc/38/56/86/362385686.db2.gz QNMCMHSKTIILGJ-ZYHUDNBSSA-N 2 1 278.352 1.593 20 70 CDIDMP CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000161286823 362402396 /nfs/dbraw/zinc/40/23/96/362402396.db2.gz BIZHANVCFZOPIV-ZIAGYGMSSA-N 2 1 299.459 1.055 20 70 CDIDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000159663926 364248285 /nfs/dbraw/zinc/24/82/85/364248285.db2.gz DXQVVUZZDCQIAE-UHFFFAOYSA-N 2 1 274.412 1.864 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000159624678 361756983 /nfs/dbraw/zinc/75/69/83/361756983.db2.gz PMJSGSMFZFZUJK-HNNXBMFYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159624678 361756986 /nfs/dbraw/zinc/75/69/86/361756986.db2.gz PMJSGSMFZFZUJK-HNNXBMFYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159624678 361756988 /nfs/dbraw/zinc/75/69/88/361756988.db2.gz PMJSGSMFZFZUJK-HNNXBMFYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159991177 363557982 /nfs/dbraw/zinc/55/79/82/363557982.db2.gz RTHGFFSHGFMWOT-UHFFFAOYSA-N 2 1 299.459 1.143 20 70 CDIDMP CC(C)[N@@H+](C)CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159991177 363557991 /nfs/dbraw/zinc/55/79/91/363557991.db2.gz RTHGFFSHGFMWOT-UHFFFAOYSA-N 2 1 299.459 1.143 20 70 CDIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160704277 358769777 /nfs/dbraw/zinc/76/97/77/358769777.db2.gz DZGGWEZNOGSKJD-XHSDSOJGSA-N 3 1 283.460 1.153 20 70 CDIDMP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160704277 358769780 /nfs/dbraw/zinc/76/97/80/358769780.db2.gz DZGGWEZNOGSKJD-XHSDSOJGSA-N 3 1 283.460 1.153 20 70 CDIDMP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160704277 358769781 /nfs/dbraw/zinc/76/97/81/358769781.db2.gz DZGGWEZNOGSKJD-XHSDSOJGSA-N 3 1 283.460 1.153 20 70 CDIDMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160704277 358769783 /nfs/dbraw/zinc/76/97/83/358769783.db2.gz DZGGWEZNOGSKJD-XHSDSOJGSA-N 2 1 283.460 1.153 20 70 CDIDMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160704277 358769785 /nfs/dbraw/zinc/76/97/85/358769785.db2.gz DZGGWEZNOGSKJD-XHSDSOJGSA-N 2 1 283.460 1.153 20 70 CDIDMP CC(=O)N(C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161302814 519439403 /nfs/dbraw/zinc/43/94/03/519439403.db2.gz KQQZOMUSUMDJKA-UHFFFAOYSA-N 2 1 281.444 1.805 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000160669059 539040450 /nfs/dbraw/zinc/04/04/50/539040450.db2.gz AYQKVPCYIIIQPE-OWCLPIDISA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160669059 539040451 /nfs/dbraw/zinc/04/04/51/539040451.db2.gz AYQKVPCYIIIQPE-OWCLPIDISA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160669059 539040452 /nfs/dbraw/zinc/04/04/52/539040452.db2.gz AYQKVPCYIIIQPE-OWCLPIDISA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CCN1C ZINC000160669059 539040453 /nfs/dbraw/zinc/04/04/53/539040453.db2.gz AYQKVPCYIIIQPE-OWCLPIDISA-N 2 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCN1C ZINC000160669059 539040454 /nfs/dbraw/zinc/04/04/54/539040454.db2.gz AYQKVPCYIIIQPE-OWCLPIDISA-N 2 1 283.460 1.296 20 70 CDIDMP NC(=O)C[N@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000160907485 539116975 /nfs/dbraw/zinc/11/69/75/539116975.db2.gz PEQYDSOGRBWWIK-UHFFFAOYSA-N 2 1 267.417 1.592 20 70 CDIDMP NC(=O)C[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000160907485 539116976 /nfs/dbraw/zinc/11/69/76/539116976.db2.gz PEQYDSOGRBWWIK-UHFFFAOYSA-N 2 1 267.417 1.592 20 70 CDIDMP COCC[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160745977 360920994 /nfs/dbraw/zinc/92/09/94/360920994.db2.gz KZTGATWRQMAYDZ-UONOGXRCSA-N 2 1 258.406 1.238 20 70 CDIDMP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217808022 367258602 /nfs/dbraw/zinc/25/86/02/367258602.db2.gz KUKQOHTWWAVFNX-XHSDSOJGSA-N 2 1 287.407 1.299 20 70 CDIDMP CC[NH+]1CCC(N(C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161350692 521562071 /nfs/dbraw/zinc/56/20/71/521562071.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 2 1 253.434 1.887 20 70 CDIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000160668394 280186438 /nfs/dbraw/zinc/18/64/38/280186438.db2.gz QDFKYJLHZOMTIF-HZPDHXFCSA-N 2 1 294.443 1.698 20 70 CDIDMP CC[C@@H]1C[N@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@@H]1[NH3+] ZINC000159991113 482775501 /nfs/dbraw/zinc/77/55/01/482775501.db2.gz XDAGWDMSLMRGSJ-OLZOCXBDSA-N 2 1 292.379 1.983 20 70 CDIDMP CC[C@@H]1C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@@H]1[NH3+] ZINC000159991113 482775507 /nfs/dbraw/zinc/77/55/07/482775507.db2.gz XDAGWDMSLMRGSJ-OLZOCXBDSA-N 2 1 292.379 1.983 20 70 CDIDMP COC(=O)CC[N@@H+](CCn1ccnc1)CC(C)C ZINC000159784984 364265431 /nfs/dbraw/zinc/26/54/31/364265431.db2.gz ZSOQRWMAFXGSHK-UHFFFAOYSA-N 2 1 253.346 1.404 20 70 CDIDMP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000161477939 364499650 /nfs/dbraw/zinc/49/96/50/364499650.db2.gz JDBURSVCRJDCFU-INIZCTEOSA-N 2 1 262.397 1.928 20 70 CDIDMP CC[C@](C)(O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160845762 281290350 /nfs/dbraw/zinc/29/03/50/281290350.db2.gz AJTMZLIIHXUBDL-UXLLHSPISA-N 2 1 298.471 1.969 20 70 CDIDMP CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@@H+]1CCOC ZINC000161287751 362407198 /nfs/dbraw/zinc/40/71/98/362407198.db2.gz PRRCTZFFIHRXOQ-AWEZNQCLSA-N 2 1 299.459 1.321 20 70 CDIDMP CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@H+]1CCOC ZINC000161287751 362407200 /nfs/dbraw/zinc/40/72/00/362407200.db2.gz PRRCTZFFIHRXOQ-AWEZNQCLSA-N 2 1 299.459 1.321 20 70 CDIDMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000161164085 358789546 /nfs/dbraw/zinc/78/95/46/358789546.db2.gz ZDYKPBKETLWLNN-KFWWJZLASA-N 2 1 253.434 1.933 20 70 CDIDMP CC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161164085 358789550 /nfs/dbraw/zinc/78/95/50/358789550.db2.gz ZDYKPBKETLWLNN-KFWWJZLASA-N 2 1 253.434 1.933 20 70 CDIDMP CC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161164085 358789551 /nfs/dbraw/zinc/78/95/51/358789551.db2.gz ZDYKPBKETLWLNN-KFWWJZLASA-N 2 1 253.434 1.933 20 70 CDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066249 288076906 /nfs/dbraw/zinc/07/69/06/288076906.db2.gz KYKAZMVWDZQPJH-KBXIAJHMSA-N 2 1 253.434 1.789 20 70 CDIDMP C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066249 288076907 /nfs/dbraw/zinc/07/69/07/288076907.db2.gz KYKAZMVWDZQPJH-KBXIAJHMSA-N 2 1 253.434 1.789 20 70 CDIDMP CC[N@@H+](CCC[NH+]1CCCCC1)CCC(=O)OC ZINC000160739277 528450670 /nfs/dbraw/zinc/45/06/70/528450670.db2.gz SFTDLFYXADUKIG-UHFFFAOYSA-N 2 1 256.390 1.747 20 70 CDIDMP COC(=O)[C@@H](C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161280581 523503041 /nfs/dbraw/zinc/50/30/41/523503041.db2.gz WVPJFGLUEDVRSM-ZDUSSCGKSA-N 2 1 256.390 1.603 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1ccccc1)[C@@H](CN)C1CC1 ZINC000159975760 362383106 /nfs/dbraw/zinc/38/31/06/362383106.db2.gz YUZOFSPGJXRWDD-AWEZNQCLSA-N 2 1 261.369 1.684 20 70 CDIDMP C[N@H+](CCC(=O)Nc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000159975760 362383111 /nfs/dbraw/zinc/38/31/11/362383111.db2.gz YUZOFSPGJXRWDD-AWEZNQCLSA-N 2 1 261.369 1.684 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000159975760 362383113 /nfs/dbraw/zinc/38/31/13/362383113.db2.gz YUZOFSPGJXRWDD-AWEZNQCLSA-N 2 1 261.369 1.684 20 70 CDIDMP C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000161378996 530002324 /nfs/dbraw/zinc/00/23/24/530002324.db2.gz QXMLIEZKQJZDSR-OAHLLOKOSA-N 2 1 275.396 1.329 20 70 CDIDMP C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000161378996 530002325 /nfs/dbraw/zinc/00/23/25/530002325.db2.gz QXMLIEZKQJZDSR-OAHLLOKOSA-N 2 1 275.396 1.329 20 70 CDIDMP COCCOCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159903751 237161370 /nfs/dbraw/zinc/16/13/70/237161370.db2.gz OXZAKOFFHPQWAV-LSDHHAIUSA-N 2 1 270.417 1.646 20 70 CDIDMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000216650964 140163561 /nfs/dbraw/zinc/16/35/61/140163561.db2.gz LTOKVHWJWJIMRU-MJBXVCDLSA-N 2 1 267.417 1.447 20 70 CDIDMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000216650964 140163562 /nfs/dbraw/zinc/16/35/62/140163562.db2.gz LTOKVHWJWJIMRU-MJBXVCDLSA-N 2 1 267.417 1.447 20 70 CDIDMP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000217953904 140164860 /nfs/dbraw/zinc/16/48/60/140164860.db2.gz NATBUFQOPXXKJB-CVEARBPZSA-N 2 1 287.407 1.519 20 70 CDIDMP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000160626812 522501825 /nfs/dbraw/zinc/50/18/25/522501825.db2.gz SRQCUUGSUXQFPV-BBRMVZONSA-N 2 1 287.407 1.254 20 70 CDIDMP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000159812347 361870186 /nfs/dbraw/zinc/87/01/86/361870186.db2.gz SXULHQLCYVODRU-OAHLLOKOSA-N 2 1 298.475 1.700 20 70 CDIDMP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000159812347 361870187 /nfs/dbraw/zinc/87/01/87/361870187.db2.gz SXULHQLCYVODRU-OAHLLOKOSA-N 2 1 298.475 1.700 20 70 CDIDMP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000159812347 361870188 /nfs/dbraw/zinc/87/01/88/361870188.db2.gz SXULHQLCYVODRU-OAHLLOKOSA-N 2 1 298.475 1.700 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000160231198 360782442 /nfs/dbraw/zinc/78/24/42/360782442.db2.gz IJLHATVBWCREKW-HUUCEWRRSA-N 2 1 291.370 1.350 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000160231198 360782443 /nfs/dbraw/zinc/78/24/43/360782443.db2.gz IJLHATVBWCREKW-HUUCEWRRSA-N 2 1 291.370 1.350 20 70 CDIDMP C[C@@H](O)C[N@@H+](C)Cc1cccc(C[NH+](C)C[C@H](C)O)c1 ZINC000159495133 361719095 /nfs/dbraw/zinc/71/90/95/361719095.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 2 1 280.412 1.312 20 70 CDIDMP C[C@@H](O)C[NH+](C)Cc1cccc(C[N@H+](C)C[C@H](C)O)c1 ZINC000159495133 361719100 /nfs/dbraw/zinc/71/91/00/361719100.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 2 1 280.412 1.312 20 70 CDIDMP C[C@@H](O)C[NH+](C)Cc1cccc(C[N@@H+](C)C[C@H](C)O)c1 ZINC000159495133 361719102 /nfs/dbraw/zinc/71/91/02/361719102.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 2 1 280.412 1.312 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000159576541 279284624 /nfs/dbraw/zinc/28/46/24/279284624.db2.gz VEKCIOXXZNMRJS-UHFFFAOYSA-N 2 1 294.443 1.350 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000161283793 362402511 /nfs/dbraw/zinc/40/25/11/362402511.db2.gz PCVQGDDGZDDHFF-ZDUSSCGKSA-N 2 1 281.444 1.885 20 70 CDIDMP COC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160854220 533389608 /nfs/dbraw/zinc/38/96/08/533389608.db2.gz IZZOGJSTHIFRHQ-AWEZNQCLSA-N 2 1 268.401 1.747 20 70 CDIDMP COC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160854220 533389619 /nfs/dbraw/zinc/38/96/19/533389619.db2.gz IZZOGJSTHIFRHQ-AWEZNQCLSA-N 2 1 268.401 1.747 20 70 CDIDMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000161181108 276157726 /nfs/dbraw/zinc/15/77/26/276157726.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 2 1 253.434 1.791 20 70 CDIDMP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000161181108 276157727 /nfs/dbraw/zinc/15/77/27/276157727.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 2 1 253.434 1.791 20 70 CDIDMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000161181108 276157723 /nfs/dbraw/zinc/15/77/23/276157723.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 2 1 253.434 1.791 20 70 CDIDMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000161181108 276157724 /nfs/dbraw/zinc/15/77/24/276157724.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 2 1 253.434 1.791 20 70 CDIDMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000161181108 276157725 /nfs/dbraw/zinc/15/77/25/276157725.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 2 1 253.434 1.791 20 70 CDIDMP C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161268874 275393448 /nfs/dbraw/zinc/39/34/48/275393448.db2.gz ZJKKKXGQACXTBV-INIZCTEOSA-N 2 1 281.444 1.269 20 70 CDIDMP C(C[N@H+]1CC[C@H](N2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161268874 275393449 /nfs/dbraw/zinc/39/34/49/275393449.db2.gz ZJKKKXGQACXTBV-INIZCTEOSA-N 2 1 281.444 1.269 20 70 CDIDMP C[C@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012660 291147751 /nfs/dbraw/zinc/14/77/51/291147751.db2.gz UNIWPVISNJPTHU-YJNKXOJESA-N 2 1 253.434 1.932 20 70 CDIDMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000161012660 291147752 /nfs/dbraw/zinc/14/77/52/291147752.db2.gz UNIWPVISNJPTHU-YJNKXOJESA-N 2 1 253.434 1.932 20 70 CDIDMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160190415 363740329 /nfs/dbraw/zinc/74/03/29/363740329.db2.gz WELCTEBFFJZMLU-WBVHZDCISA-N 3 1 296.503 1.332 20 70 CDIDMP CCN1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160190415 363740333 /nfs/dbraw/zinc/74/03/33/363740333.db2.gz WELCTEBFFJZMLU-WBVHZDCISA-N 2 1 296.503 1.332 20 70 CDIDMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159576921 276372650 /nfs/dbraw/zinc/37/26/50/276372650.db2.gz XYDYKODGINUVCN-CHWSQXEVSA-N 2 1 255.406 1.173 20 70 CDIDMP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000161378863 277276746 /nfs/dbraw/zinc/27/67/46/277276746.db2.gz QXMLIEZKQJZDSR-HNNXBMFYSA-N 2 1 275.396 1.329 20 70 CDIDMP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000161378863 277276748 /nfs/dbraw/zinc/27/67/48/277276748.db2.gz QXMLIEZKQJZDSR-HNNXBMFYSA-N 2 1 275.396 1.329 20 70 CDIDMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000218116192 280090310 /nfs/dbraw/zinc/09/03/10/280090310.db2.gz RUODJAMBJOHMDJ-GJZGRUSLSA-N 2 1 295.427 1.824 20 70 CDIDMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000218116192 280090314 /nfs/dbraw/zinc/09/03/14/280090314.db2.gz RUODJAMBJOHMDJ-GJZGRUSLSA-N 2 1 295.427 1.824 20 70 CDIDMP NC(=O)CC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160850687 534319235 /nfs/dbraw/zinc/31/92/35/534319235.db2.gz RMVOKLHVMTZBTQ-OAHLLOKOSA-N 2 1 281.444 1.840 20 70 CDIDMP CC[C@@](C)(O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765751 529509323 /nfs/dbraw/zinc/50/93/23/529509323.db2.gz LVYCYFKOSAZRQP-IXDOHACOSA-N 2 1 297.487 1.638 20 70 CDIDMP C[N@@H+](CC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCSC1 ZINC000159868051 363386314 /nfs/dbraw/zinc/38/63/14/363386314.db2.gz NRLDVFGBKJQGDF-CQSZACIVSA-N 2 1 299.484 1.416 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209715 363757843 /nfs/dbraw/zinc/75/78/43/363757843.db2.gz ZKXXBQQVKRXHSM-INMHGKMJSA-N 3 1 296.503 1.331 20 70 CDIDMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209715 363757847 /nfs/dbraw/zinc/75/78/47/363757847.db2.gz ZKXXBQQVKRXHSM-INMHGKMJSA-N 2 1 296.503 1.331 20 70 CDIDMP NC(=O)CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160850848 534317392 /nfs/dbraw/zinc/31/73/92/534317392.db2.gz RMVOKLHVMTZBTQ-HNNXBMFYSA-N 2 1 281.444 1.840 20 70 CDIDMP COCC[NH+]1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159615464 523816407 /nfs/dbraw/zinc/81/64/07/523816407.db2.gz LKQHBOLXFZEMDQ-ZDUSSCGKSA-N 2 1 258.431 1.582 20 70 CDIDMP CCCN1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000160150545 539115450 /nfs/dbraw/zinc/11/54/50/539115450.db2.gz MTDAMBDBVAIFAL-UHFFFAOYSA-N 2 1 296.503 1.476 20 70 CDIDMP CCC[NH+]1CCC(NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000160150545 539115451 /nfs/dbraw/zinc/11/54/51/539115451.db2.gz MTDAMBDBVAIFAL-UHFFFAOYSA-N 2 1 296.503 1.476 20 70 CDIDMP CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000160830731 391573328 /nfs/dbraw/zinc/57/33/28/391573328.db2.gz CNXUIQLIKXMPCC-CBBWQLFWSA-N 2 1 254.418 1.977 20 70 CDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCOCC1 ZINC000160768182 525335058 /nfs/dbraw/zinc/33/50/58/525335058.db2.gz ZHJZHIAEYPYLNB-GOEBONIOSA-N 2 1 284.444 1.628 20 70 CDIDMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160686734 346194412 /nfs/dbraw/zinc/19/44/12/346194412.db2.gz SWJVJMVPSFBPGH-CABCVRRESA-N 2 1 294.443 1.206 20 70 CDIDMP CC[NH+](CC)CCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159507528 361725490 /nfs/dbraw/zinc/72/54/90/361725490.db2.gz NXCAORDNVGWRJV-UHFFFAOYSA-N 2 1 270.421 1.065 20 70 CDIDMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217546946 140163538 /nfs/dbraw/zinc/16/35/38/140163538.db2.gz IJTGVIWPFFTSHT-UONOGXRCSA-N 2 1 267.417 1.448 20 70 CDIDMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217546946 140163539 /nfs/dbraw/zinc/16/35/39/140163539.db2.gz IJTGVIWPFFTSHT-UONOGXRCSA-N 2 1 267.417 1.448 20 70 CDIDMP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836565 282262272 /nfs/dbraw/zinc/26/22/72/282262272.db2.gz IMDBMIKXYLZSES-HIFRSBDPSA-N 2 1 294.443 1.349 20 70 CDIDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000159566666 361738319 /nfs/dbraw/zinc/73/83/19/361738319.db2.gz OSOKPQCNDZYKKN-CABCVRRESA-N 2 1 283.460 1.667 20 70 CDIDMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808781 140165079 /nfs/dbraw/zinc/16/50/79/140165079.db2.gz BXDRLWHFVWWDDY-OAGGEKHMSA-N 2 1 287.407 1.820 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1 ZINC000159823380 361875285 /nfs/dbraw/zinc/87/52/85/361875285.db2.gz PRQMQHANHKFPKS-CYBMUJFWSA-N 2 1 282.432 1.206 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000159823380 361875291 /nfs/dbraw/zinc/87/52/91/361875291.db2.gz PRQMQHANHKFPKS-CYBMUJFWSA-N 2 1 282.432 1.206 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000159823380 361875296 /nfs/dbraw/zinc/87/52/96/361875296.db2.gz PRQMQHANHKFPKS-CYBMUJFWSA-N 2 1 282.432 1.206 20 70 CDIDMP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160179503 362045682 /nfs/dbraw/zinc/04/56/82/362045682.db2.gz FLTRKWUBBKLDMA-BBRMVZONSA-N 2 1 289.423 1.866 20 70 CDIDMP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160179503 362045687 /nfs/dbraw/zinc/04/56/87/362045687.db2.gz FLTRKWUBBKLDMA-BBRMVZONSA-N 2 1 289.423 1.866 20 70 CDIDMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159871336 362377027 /nfs/dbraw/zinc/37/70/27/362377027.db2.gz LJJJTBCKZIWBJB-JTQLQIEISA-N 2 1 295.349 1.375 20 70 CDIDMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550253 140163565 /nfs/dbraw/zinc/16/35/65/140163565.db2.gz BRWCZXRAVUPMNM-CABCVRRESA-N 2 1 289.423 1.877 20 70 CDIDMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550253 140163566 /nfs/dbraw/zinc/16/35/66/140163566.db2.gz BRWCZXRAVUPMNM-CABCVRRESA-N 2 1 289.423 1.877 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217393062 617825059 /nfs/dbraw/zinc/82/50/59/617825059.db2.gz QFTOMEFQFZUCEP-OLZOCXBDSA-N 2 1 267.417 1.495 20 70 CDIDMP NC(=O)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160595258 237182506 /nfs/dbraw/zinc/18/25/06/237182506.db2.gz QDOUPLPVAHDVCR-UHFFFAOYSA-N 2 1 267.417 1.450 20 70 CDIDMP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995212 362386574 /nfs/dbraw/zinc/38/65/74/362386574.db2.gz ZIJMKFFAVMQYPJ-CMPLNLGQSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995212 362386579 /nfs/dbraw/zinc/38/65/79/362386579.db2.gz ZIJMKFFAVMQYPJ-CMPLNLGQSA-N 2 1 278.352 1.593 20 70 CDIDMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000217588021 373715561 /nfs/dbraw/zinc/71/55/61/373715561.db2.gz IHIXSNBWDGYARK-UKRRQHHQSA-N 2 1 275.396 1.535 20 70 CDIDMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159738638 361820790 /nfs/dbraw/zinc/82/07/90/361820790.db2.gz YZHUPZHVWFPMLD-HNNXBMFYSA-N 2 1 296.459 1.456 20 70 CDIDMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000159738638 361820793 /nfs/dbraw/zinc/82/07/93/361820793.db2.gz YZHUPZHVWFPMLD-HNNXBMFYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159805151 361865026 /nfs/dbraw/zinc/86/50/26/361865026.db2.gz URFVBPISMNWERV-CQSZACIVSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159805151 361865029 /nfs/dbraw/zinc/86/50/29/361865029.db2.gz URFVBPISMNWERV-CQSZACIVSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159805151 361865032 /nfs/dbraw/zinc/86/50/32/361865032.db2.gz URFVBPISMNWERV-CQSZACIVSA-N 2 1 284.448 1.454 20 70 CDIDMP COCCOC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161300003 533114214 /nfs/dbraw/zinc/11/42/14/533114214.db2.gz FXEVHHHKTRZZGC-MRXNPFEDSA-N 2 1 284.444 1.847 20 70 CDIDMP COCCOC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161300086 533132743 /nfs/dbraw/zinc/13/27/43/533132743.db2.gz FXEVHHHKTRZZGC-INIZCTEOSA-N 2 1 284.444 1.847 20 70 CDIDMP C[C@H](CNCc1cnc(N(C)C)n1C)[N@H+](C)C1CC1 ZINC000217533953 140163254 /nfs/dbraw/zinc/16/32/54/140163254.db2.gz XPBDCZMAZCIWIA-LLVKDONJSA-N 2 1 265.405 1.058 20 70 CDIDMP C[C@H](CNCc1cnc(N(C)C)n1C)[N@@H+](C)C1CC1 ZINC000217533953 140163255 /nfs/dbraw/zinc/16/32/55/140163255.db2.gz XPBDCZMAZCIWIA-LLVKDONJSA-N 2 1 265.405 1.058 20 70 CDIDMP COc1c(C)c[nH+]c(CN(C)[C@H](C[NH3+])C2CC2)c1C ZINC000160166313 277362626 /nfs/dbraw/zinc/36/26/26/277362626.db2.gz ISKUGAGOMRHXSU-CQSZACIVSA-N 2 1 263.385 1.876 20 70 CDIDMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CC2CC2)CC1 ZINC000161435232 523823539 /nfs/dbraw/zinc/82/35/39/523823539.db2.gz ZXUICRVSFPZWFZ-OAHLLOKOSA-N 2 1 251.418 1.498 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000161277355 362382775 /nfs/dbraw/zinc/38/27/75/362382775.db2.gz XSLCPAWXWBWYTH-AWEZNQCLSA-N 2 1 283.460 1.988 20 70 CDIDMP COC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160854081 237186781 /nfs/dbraw/zinc/18/67/81/237186781.db2.gz IZZOGJSTHIFRHQ-CQSZACIVSA-N 2 1 268.401 1.747 20 70 CDIDMP COC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160854081 237186785 /nfs/dbraw/zinc/18/67/85/237186785.db2.gz IZZOGJSTHIFRHQ-CQSZACIVSA-N 2 1 268.401 1.747 20 70 CDIDMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000217588734 373716468 /nfs/dbraw/zinc/71/64/68/373716468.db2.gz GXSLQCDHBLRLGI-XJKSGUPXSA-N 2 1 287.407 1.331 20 70 CDIDMP CC[N@@H+](CCNC(=O)N1CCC[NH+](CC)CC1)C1CC1 ZINC000159798108 390941557 /nfs/dbraw/zinc/94/15/57/390941557.db2.gz ZXEBHTDZMGOKTL-UHFFFAOYSA-N 2 1 282.432 1.208 20 70 CDIDMP CC[NH+](CCNC(=O)N1CCC[N@H+](CC)CC1)C1CC1 ZINC000159798108 390941558 /nfs/dbraw/zinc/94/15/58/390941558.db2.gz ZXEBHTDZMGOKTL-UHFFFAOYSA-N 2 1 282.432 1.208 20 70 CDIDMP CC[NH+](CCNC(=O)N1CCC[N@@H+](CC)CC1)C1CC1 ZINC000159798108 390941559 /nfs/dbraw/zinc/94/15/59/390941559.db2.gz ZXEBHTDZMGOKTL-UHFFFAOYSA-N 2 1 282.432 1.208 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000159885600 539114974 /nfs/dbraw/zinc/11/49/74/539114974.db2.gz MKGKLDLMFYWUJO-OAHLLOKOSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000159885600 539114975 /nfs/dbraw/zinc/11/49/75/539114975.db2.gz MKGKLDLMFYWUJO-OAHLLOKOSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000159885600 539114976 /nfs/dbraw/zinc/11/49/76/539114976.db2.gz MKGKLDLMFYWUJO-OAHLLOKOSA-N 2 1 294.443 1.208 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000160160547 362041269 /nfs/dbraw/zinc/04/12/69/362041269.db2.gz SLWZIHLHFUYWNJ-GJZGRUSLSA-N 3 1 282.476 1.085 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CCN1C ZINC000160160547 362041271 /nfs/dbraw/zinc/04/12/71/362041271.db2.gz SLWZIHLHFUYWNJ-GJZGRUSLSA-N 2 1 282.476 1.085 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000160668932 291146109 /nfs/dbraw/zinc/14/61/09/291146109.db2.gz AYQKVPCYIIIQPE-ARFHVFGLSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160668932 291146111 /nfs/dbraw/zinc/14/61/11/291146111.db2.gz AYQKVPCYIIIQPE-ARFHVFGLSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160668932 291146113 /nfs/dbraw/zinc/14/61/13/291146113.db2.gz AYQKVPCYIIIQPE-ARFHVFGLSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CCN1C ZINC000160668932 291146115 /nfs/dbraw/zinc/14/61/15/291146115.db2.gz AYQKVPCYIIIQPE-ARFHVFGLSA-N 2 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCN1C ZINC000160668932 291146117 /nfs/dbraw/zinc/14/61/17/291146117.db2.gz AYQKVPCYIIIQPE-ARFHVFGLSA-N 2 1 283.460 1.296 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000160231354 360782745 /nfs/dbraw/zinc/78/27/45/360782745.db2.gz IJLHATVBWCREKW-CABCVRRESA-N 2 1 291.370 1.350 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000160231354 360782752 /nfs/dbraw/zinc/78/27/52/360782752.db2.gz IJLHATVBWCREKW-CABCVRRESA-N 2 1 291.370 1.350 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209842 363757971 /nfs/dbraw/zinc/75/79/71/363757971.db2.gz ZKXXBQQVKRXHSM-VYDXJSESSA-N 3 1 296.503 1.331 20 70 CDIDMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209842 363757975 /nfs/dbraw/zinc/75/79/75/363757975.db2.gz ZKXXBQQVKRXHSM-VYDXJSESSA-N 2 1 296.503 1.331 20 70 CDIDMP C[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000217948480 140164500 /nfs/dbraw/zinc/16/45/00/140164500.db2.gz GMNJCXRMFHKXEG-HZPDHXFCSA-N 2 1 287.407 1.644 20 70 CDIDMP C[N@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000217948480 140164501 /nfs/dbraw/zinc/16/45/01/140164501.db2.gz GMNJCXRMFHKXEG-HZPDHXFCSA-N 2 1 287.407 1.644 20 70 CDIDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)cn3)C2)CC1 ZINC000160050119 362013318 /nfs/dbraw/zinc/01/33/18/362013318.db2.gz ARPSMIDEDVNVDL-KRWDZBQOSA-N 2 1 288.439 1.602 20 70 CDIDMP [NH3+][C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160703679 362474412 /nfs/dbraw/zinc/47/44/12/362474412.db2.gz AIIKSOLLALCJJI-KBPBESRZSA-N 2 1 259.353 1.247 20 70 CDIDMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1)C1CC1 ZINC000159426746 361695330 /nfs/dbraw/zinc/69/53/30/361695330.db2.gz VUVHDHMCWUUFOP-UHFFFAOYSA-N 2 1 287.407 1.716 20 70 CDIDMP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000218097046 367261011 /nfs/dbraw/zinc/26/10/11/367261011.db2.gz RTEBPFGVTIRVHW-UHFFFAOYSA-N 2 1 289.423 1.996 20 70 CDIDMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808969 140165309 /nfs/dbraw/zinc/16/53/09/140165309.db2.gz BXDRLWHFVWWDDY-PMPSAXMXSA-N 2 1 287.407 1.820 20 70 CDIDMP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(CC[NH3+])CC1 ZINC000159871055 482754340 /nfs/dbraw/zinc/75/43/40/482754340.db2.gz AQPGGTXTDKIIRC-VIFPVBQESA-N 2 1 281.322 1.114 20 70 CDIDMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH3+])cc1)C1CC1 ZINC000160132314 528776283 /nfs/dbraw/zinc/77/62/83/528776283.db2.gz CUXZTHQAMLRFHH-UHFFFAOYSA-N 2 1 275.396 1.750 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000159817799 361867156 /nfs/dbraw/zinc/86/71/56/361867156.db2.gz KRNBHNPMRNTUAQ-UHFFFAOYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC)CC1 ZINC000159846824 361878303 /nfs/dbraw/zinc/87/83/03/361878303.db2.gz YLMGKYNGHKAZKR-OAHLLOKOSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159846824 361878307 /nfs/dbraw/zinc/87/83/07/361878307.db2.gz YLMGKYNGHKAZKR-OAHLLOKOSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159846824 361878314 /nfs/dbraw/zinc/87/83/14/361878314.db2.gz YLMGKYNGHKAZKR-OAHLLOKOSA-N 2 1 296.459 1.598 20 70 CDIDMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836705 282198353 /nfs/dbraw/zinc/19/83/53/282198353.db2.gz IMDBMIKXYLZSES-DZGCQCFKSA-N 2 1 294.443 1.349 20 70 CDIDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000159371113 364193305 /nfs/dbraw/zinc/19/33/05/364193305.db2.gz VQXCUZFTEBGLFK-HIFRSBDPSA-N 2 1 275.396 1.185 20 70 CDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000159371113 364193310 /nfs/dbraw/zinc/19/33/10/364193310.db2.gz VQXCUZFTEBGLFK-HIFRSBDPSA-N 2 1 275.396 1.185 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000160318364 364334691 /nfs/dbraw/zinc/33/46/91/364334691.db2.gz NSSVUCKDAWZTDV-HUUCEWRRSA-N 2 1 273.380 1.211 20 70 CDIDMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000161454712 364494613 /nfs/dbraw/zinc/49/46/13/364494613.db2.gz GMJKHFUNKMTQKD-HNNXBMFYSA-N 2 1 277.412 1.575 20 70 CDIDMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160686631 342483140 /nfs/dbraw/zinc/48/31/40/342483140.db2.gz SWJVJMVPSFBPGH-HUUCEWRRSA-N 2 1 294.443 1.206 20 70 CDIDMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159920333 361939740 /nfs/dbraw/zinc/93/97/40/361939740.db2.gz GYIKFZONMQDOBN-OWCLPIDISA-N 2 1 287.407 1.642 20 70 CDIDMP C[N@H+](CCC(=O)Nc1ccccc1F)[C@@H](C[NH3+])C1CC1 ZINC000160044505 360426497 /nfs/dbraw/zinc/42/64/97/360426497.db2.gz XEVGFRXNXFMSEC-AWEZNQCLSA-N 2 1 279.359 1.823 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H](C[NH3+])C1CC1 ZINC000160044505 360426506 /nfs/dbraw/zinc/42/65/06/360426506.db2.gz XEVGFRXNXFMSEC-AWEZNQCLSA-N 2 1 279.359 1.823 20 70 CDIDMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000217441580 140163639 /nfs/dbraw/zinc/16/36/39/140163639.db2.gz FKUVHKATSUPSPO-SMDDNHRTSA-N 2 1 264.369 1.873 20 70 CDIDMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000217441580 140163640 /nfs/dbraw/zinc/16/36/40/140163640.db2.gz FKUVHKATSUPSPO-SMDDNHRTSA-N 2 1 264.369 1.873 20 70 CDIDMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[NH3+] ZINC000218189889 140164692 /nfs/dbraw/zinc/16/46/92/140164692.db2.gz PRGLBOUAEPTJIH-VIFPVBQESA-N 2 1 257.175 1.928 20 70 CDIDMP CC(=O)NC1CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000161453819 278088413 /nfs/dbraw/zinc/08/84/13/278088413.db2.gz AACFBTRATMRCKL-UHFFFAOYSA-N 2 1 281.444 1.898 20 70 CDIDMP CC(=O)NC1CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000161453819 278088415 /nfs/dbraw/zinc/08/84/15/278088415.db2.gz AACFBTRATMRCKL-UHFFFAOYSA-N 2 1 281.444 1.898 20 70 CDIDMP CCC[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000160662154 539116177 /nfs/dbraw/zinc/11/61/77/539116177.db2.gz PMNGHALCJWNJQY-KRWDZBQOSA-N 3 1 297.487 1.687 20 70 CDIDMP CCCN1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000160662154 539116178 /nfs/dbraw/zinc/11/61/78/539116178.db2.gz PMNGHALCJWNJQY-KRWDZBQOSA-N 2 1 297.487 1.687 20 70 CDIDMP CCCN1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000160662154 539116179 /nfs/dbraw/zinc/11/61/79/539116179.db2.gz PMNGHALCJWNJQY-KRWDZBQOSA-N 2 1 297.487 1.687 20 70 CDIDMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159995046 362386986 /nfs/dbraw/zinc/38/69/86/362386986.db2.gz QNMCMHSKTIILGJ-JQWIXIFHSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159995046 362386991 /nfs/dbraw/zinc/38/69/91/362386991.db2.gz QNMCMHSKTIILGJ-JQWIXIFHSA-N 2 1 278.352 1.593 20 70 CDIDMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000159571527 362452623 /nfs/dbraw/zinc/45/26/23/362452623.db2.gz OXXGCYOTPCTOQZ-GJZGRUSLSA-N 2 1 283.460 1.953 20 70 CDIDMP NC(=O)C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161371628 534361606 /nfs/dbraw/zinc/36/16/06/534361606.db2.gz RSHBMFBKXVKHED-CQSZACIVSA-N 2 1 267.417 1.450 20 70 CDIDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(F)cc(Cl)c1 ZINC000161138841 482865113 /nfs/dbraw/zinc/86/51/13/482865113.db2.gz BEKMULIIDMWUFL-UHFFFAOYSA-N 2 1 285.794 1.816 20 70 CDIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161413276 522060950 /nfs/dbraw/zinc/06/09/50/522060950.db2.gz LWWRCTYTIXDHOF-LRVUVFPRSA-N 2 1 269.433 1.754 20 70 CDIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161413276 522060958 /nfs/dbraw/zinc/06/09/58/522060958.db2.gz LWWRCTYTIXDHOF-LRVUVFPRSA-N 2 1 269.433 1.754 20 70 CDIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161484430 524558765 /nfs/dbraw/zinc/55/87/65/524558765.db2.gz JTVCIHGPHZTYCZ-BPUTZDHNSA-N 2 1 262.397 1.692 20 70 CDIDMP COCC[NH+]1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159615350 361753572 /nfs/dbraw/zinc/75/35/72/361753572.db2.gz LKQHBOLXFZEMDQ-CYBMUJFWSA-N 2 1 258.431 1.582 20 70 CDIDMP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160703567 362473517 /nfs/dbraw/zinc/47/35/17/362473517.db2.gz AIIKSOLLALCJJI-KGLIPLIRSA-N 2 1 259.353 1.247 20 70 CDIDMP Cc1c(C[NH2+]C2CC[NH+](CC(C)C)CC2)cnn1C ZINC000159885263 237160247 /nfs/dbraw/zinc/16/02/47/237160247.db2.gz MAGPNRFXGCKVSW-UHFFFAOYSA-N 2 1 264.417 1.939 20 70 CDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000160620646 364382553 /nfs/dbraw/zinc/38/25/53/364382553.db2.gz PNTVZSPYLTWFRL-KGLIPLIRSA-N 2 1 261.369 1.110 20 70 CDIDMP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCC[NH2+]C1 ZINC000216800001 140163626 /nfs/dbraw/zinc/16/36/26/140163626.db2.gz NXWDLNZDFKNLKE-ZDUSSCGKSA-N 2 1 262.353 1.847 20 70 CDIDMP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCC[NH2+]C1 ZINC000216800001 140163627 /nfs/dbraw/zinc/16/36/27/140163627.db2.gz NXWDLNZDFKNLKE-ZDUSSCGKSA-N 2 1 262.353 1.847 20 70 CDIDMP CC(C)(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217057762 140164034 /nfs/dbraw/zinc/16/40/34/140164034.db2.gz PBKJYGPOBQSWTG-KGLIPLIRSA-N 2 1 281.444 1.613 20 70 CDIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000159525314 528897004 /nfs/dbraw/zinc/89/70/04/528897004.db2.gz MWRHETPGDLQJCI-ZIAGYGMSSA-N 2 1 296.459 1.593 20 70 CDIDMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159866875 362377147 /nfs/dbraw/zinc/37/71/47/362377147.db2.gz DPHSJEGIPOXNEK-RKDXNWHRSA-N 2 1 281.322 1.113 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000161283697 362402904 /nfs/dbraw/zinc/40/29/04/362402904.db2.gz PCVQGDDGZDDHFF-CYBMUJFWSA-N 2 1 281.444 1.885 20 70 CDIDMP CNC(=O)[C@H](C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161395011 362952239 /nfs/dbraw/zinc/95/22/39/362952239.db2.gz VCXGBXMFVZRVEV-CYBMUJFWSA-N 2 1 255.406 1.176 20 70 CDIDMP [NH3+]C[C@@H]1CN(c2cc[nH+]cc2Br)CCO1 ZINC000159793980 283487982 /nfs/dbraw/zinc/48/79/82/283487982.db2.gz LDPBFVBXLRVPNH-MRVPVSSYSA-N 2 1 272.146 1.008 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000160668815 278025588 /nfs/dbraw/zinc/02/55/88/278025588.db2.gz AYQKVPCYIIIQPE-BZUAXINKSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160668815 278025590 /nfs/dbraw/zinc/02/55/90/278025590.db2.gz AYQKVPCYIIIQPE-BZUAXINKSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160668815 278025591 /nfs/dbraw/zinc/02/55/91/278025591.db2.gz AYQKVPCYIIIQPE-BZUAXINKSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CCN1C ZINC000160668815 278025593 /nfs/dbraw/zinc/02/55/93/278025593.db2.gz AYQKVPCYIIIQPE-BZUAXINKSA-N 2 1 283.460 1.296 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCN1C ZINC000160668815 278025594 /nfs/dbraw/zinc/02/55/94/278025594.db2.gz AYQKVPCYIIIQPE-BZUAXINKSA-N 2 1 283.460 1.296 20 70 CDIDMP CC[C@@H](COC)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160749890 522591539 /nfs/dbraw/zinc/59/15/39/522591539.db2.gz GQFNBFDQLZQQBO-UONOGXRCSA-N 2 1 258.406 1.238 20 70 CDIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066319 358786452 /nfs/dbraw/zinc/78/64/52/358786452.db2.gz KYKAZMVWDZQPJH-XGUBFFRZSA-N 2 1 253.434 1.789 20 70 CDIDMP C[C@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066319 358786455 /nfs/dbraw/zinc/78/64/55/358786455.db2.gz KYKAZMVWDZQPJH-XGUBFFRZSA-N 2 1 253.434 1.789 20 70 CDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160704166 358769757 /nfs/dbraw/zinc/76/97/57/358769757.db2.gz DZGGWEZNOGSKJD-OAGGEKHMSA-N 3 1 283.460 1.153 20 70 CDIDMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160704166 358769759 /nfs/dbraw/zinc/76/97/59/358769759.db2.gz DZGGWEZNOGSKJD-OAGGEKHMSA-N 3 1 283.460 1.153 20 70 CDIDMP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160704166 358769762 /nfs/dbraw/zinc/76/97/62/358769762.db2.gz DZGGWEZNOGSKJD-OAGGEKHMSA-N 3 1 283.460 1.153 20 70 CDIDMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160704166 358769763 /nfs/dbraw/zinc/76/97/63/358769763.db2.gz DZGGWEZNOGSKJD-OAGGEKHMSA-N 2 1 283.460 1.153 20 70 CDIDMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160704166 358769765 /nfs/dbraw/zinc/76/97/65/358769765.db2.gz DZGGWEZNOGSKJD-OAGGEKHMSA-N 2 1 283.460 1.153 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159513859 361442949 /nfs/dbraw/zinc/44/29/49/361442949.db2.gz MWKGFJVKARBZTL-MGPQQGTHSA-N 2 1 267.417 1.317 20 70 CDIDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccsc1 ZINC000161310045 364476106 /nfs/dbraw/zinc/47/61/06/364476106.db2.gz IGXCVIWISVDCAQ-UHFFFAOYSA-N 2 1 267.442 1.817 20 70 CDIDMP [NH3+]CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160057833 364300183 /nfs/dbraw/zinc/30/01/83/364300183.db2.gz IGCQXPOBNOQWMV-AWEZNQCLSA-N 2 1 279.359 1.255 20 70 CDIDMP [NH3+]CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160057833 364300188 /nfs/dbraw/zinc/30/01/88/364300188.db2.gz IGCQXPOBNOQWMV-AWEZNQCLSA-N 2 1 279.359 1.255 20 70 CDIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160681738 525337025 /nfs/dbraw/zinc/33/70/25/525337025.db2.gz VEHVEKVQMIMVAQ-RRFJBIMHSA-N 2 1 270.417 1.238 20 70 CDIDMP CNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160440038 529842481 /nfs/dbraw/zinc/84/24/81/529842481.db2.gz HQBABUZEFFOEGQ-UHFFFAOYSA-N 2 1 267.417 1.320 20 70 CDIDMP CC(=O)NC[C@@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000159780426 363297416 /nfs/dbraw/zinc/29/74/16/363297416.db2.gz CIXZDRARLHUBLD-INIZCTEOSA-N 2 1 292.427 1.820 20 70 CDIDMP CC(=O)NC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000159780426 363297423 /nfs/dbraw/zinc/29/74/23/363297423.db2.gz CIXZDRARLHUBLD-INIZCTEOSA-N 2 1 292.427 1.820 20 70 CDIDMP CC(=O)NC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000159780426 363297429 /nfs/dbraw/zinc/29/74/29/363297429.db2.gz CIXZDRARLHUBLD-INIZCTEOSA-N 2 1 292.427 1.820 20 70 CDIDMP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012772 358783258 /nfs/dbraw/zinc/78/32/58/358783258.db2.gz UNIWPVISNJPTHU-KBXIAJHMSA-N 2 1 253.434 1.932 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000161012772 358783259 /nfs/dbraw/zinc/78/32/59/358783259.db2.gz UNIWPVISNJPTHU-KBXIAJHMSA-N 2 1 253.434 1.932 20 70 CDIDMP Cc1nc(C[NH+]2CCC(C(=O)NCCC[NH3+])CC2)cs1 ZINC000160049642 364298830 /nfs/dbraw/zinc/29/88/30/364298830.db2.gz PYTWIRJEUAIODU-UHFFFAOYSA-N 2 1 296.440 1.129 20 70 CDIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067195 525561901 /nfs/dbraw/zinc/56/19/01/525561901.db2.gz YVGJIYXFIKDKMD-YUTCNCBUSA-N 2 1 250.390 1.944 20 70 CDIDMP C[N@H+](CCC(=O)Nc1ccccc1F)[C@H](C[NH3+])C1CC1 ZINC000160044596 362389667 /nfs/dbraw/zinc/38/96/67/362389667.db2.gz XEVGFRXNXFMSEC-CQSZACIVSA-N 2 1 279.359 1.823 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1ccccc1F)[C@H](C[NH3+])C1CC1 ZINC000160044596 362389673 /nfs/dbraw/zinc/38/96/73/362389673.db2.gz XEVGFRXNXFMSEC-CQSZACIVSA-N 2 1 279.359 1.823 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@H+]1C ZINC000160669181 358761815 /nfs/dbraw/zinc/76/18/15/358761815.db2.gz AYQKVPCYIIIQPE-HRCADAONSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160669181 358761817 /nfs/dbraw/zinc/76/18/17/358761817.db2.gz AYQKVPCYIIIQPE-HRCADAONSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC[NH+]1C ZINC000160669181 358761818 /nfs/dbraw/zinc/76/18/18/358761818.db2.gz AYQKVPCYIIIQPE-HRCADAONSA-N 3 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CCN1C ZINC000160669181 358761820 /nfs/dbraw/zinc/76/18/20/358761820.db2.gz AYQKVPCYIIIQPE-HRCADAONSA-N 2 1 283.460 1.296 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCN1C ZINC000160669181 358761822 /nfs/dbraw/zinc/76/18/22/358761822.db2.gz AYQKVPCYIIIQPE-HRCADAONSA-N 2 1 283.460 1.296 20 70 CDIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC000160935188 358781494 /nfs/dbraw/zinc/78/14/94/358781494.db2.gz SFBRCEFRFNFIPF-CABCVRRESA-N 2 1 299.459 1.238 20 70 CDIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC(C)C)[C@H](C)C1 ZINC000160935188 358781495 /nfs/dbraw/zinc/78/14/95/358781495.db2.gz SFBRCEFRFNFIPF-CABCVRRESA-N 2 1 299.459 1.238 20 70 CDIDMP CC(C)(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217057800 140163604 /nfs/dbraw/zinc/16/36/04/140163604.db2.gz PBKJYGPOBQSWTG-KBPBESRZSA-N 2 1 281.444 1.613 20 70 CDIDMP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217559391 279191506 /nfs/dbraw/zinc/19/15/06/279191506.db2.gz PIHUXLIIUCGJHD-KGLIPLIRSA-N 2 1 267.417 1.448 20 70 CDIDMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217559391 279191507 /nfs/dbraw/zinc/19/15/07/279191507.db2.gz PIHUXLIIUCGJHD-KGLIPLIRSA-N 2 1 267.417 1.448 20 70 CDIDMP C(C[N@H+]1CCC[C@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000161286004 391586350 /nfs/dbraw/zinc/58/63/50/391586350.db2.gz MMNZWLGSDKTBQE-KRWDZBQOSA-N 2 1 295.471 1.659 20 70 CDIDMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217547033 140163452 /nfs/dbraw/zinc/16/34/52/140163452.db2.gz IJTGVIWPFFTSHT-KBPBESRZSA-N 2 1 267.417 1.448 20 70 CDIDMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217547033 140163454 /nfs/dbraw/zinc/16/34/54/140163454.db2.gz IJTGVIWPFFTSHT-KBPBESRZSA-N 2 1 267.417 1.448 20 70 CDIDMP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217806924 140165731 /nfs/dbraw/zinc/16/57/31/140165731.db2.gz MTCZEZZNFVQKOF-KKUMJFAQSA-N 2 1 273.380 1.429 20 70 CDIDMP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217806924 140165733 /nfs/dbraw/zinc/16/57/33/140165733.db2.gz MTCZEZZNFVQKOF-KKUMJFAQSA-N 2 1 273.380 1.429 20 70 CDIDMP CC[N@@H+](CCNC(=O)N1CCC[NH+](CC)CC1)C(C)C ZINC000159801219 528487160 /nfs/dbraw/zinc/48/71/60/528487160.db2.gz GWFLUNGZXKCEAM-UHFFFAOYSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[NH+](CCNC(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000159801219 528487163 /nfs/dbraw/zinc/48/71/63/528487163.db2.gz GWFLUNGZXKCEAM-UHFFFAOYSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[NH+](CCNC(=O)N1CCC[N@@H+](CC)CC1)C(C)C ZINC000159801219 528487165 /nfs/dbraw/zinc/48/71/65/528487165.db2.gz GWFLUNGZXKCEAM-UHFFFAOYSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[N@@H+](CCNCc1cn2ccccc2n1)C1CC1 ZINC000218319677 361213485 /nfs/dbraw/zinc/21/34/85/361213485.db2.gz UJCNXVUKCAZCED-UHFFFAOYSA-N 2 1 258.369 1.908 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160302567 364331963 /nfs/dbraw/zinc/33/19/63/364331963.db2.gz LNZRLYPTZVDJNS-JKSUJKDBSA-N 2 1 287.407 1.458 20 70 CDIDMP CC(=O)NC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000161258136 292803344 /nfs/dbraw/zinc/80/33/44/292803344.db2.gz CTCGFKAJKCCIGB-UWTIGNOOSA-N 2 1 292.427 1.865 20 70 CDIDMP COC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000216736907 342439410 /nfs/dbraw/zinc/43/94/10/342439410.db2.gz MWZUGTLULJBZPP-CQSZACIVSA-N 2 1 252.333 1.855 20 70 CDIDMP CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159539374 362232910 /nfs/dbraw/zinc/23/29/10/362232910.db2.gz AUXVDCRMYICCNJ-UHFFFAOYSA-N 2 1 282.432 1.208 20 70 CDIDMP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995659 362387277 /nfs/dbraw/zinc/38/72/77/362387277.db2.gz ZIJMKFFAVMQYPJ-PWSUYJOCSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995659 362387283 /nfs/dbraw/zinc/38/72/83/362387283.db2.gz ZIJMKFFAVMQYPJ-PWSUYJOCSA-N 2 1 278.352 1.593 20 70 CDIDMP C[N@H+]1CCC[C@H]1CCN1CCN(c2cccc(O)c2)CC1 ZINC000161318709 364477425 /nfs/dbraw/zinc/47/74/25/364477425.db2.gz GBGCWCGWDHNHCR-HNNXBMFYSA-N 2 1 289.423 1.999 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000160160206 362041350 /nfs/dbraw/zinc/04/13/50/362041350.db2.gz SLWZIHLHFUYWNJ-HUUCEWRRSA-N 3 1 282.476 1.085 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CCN1C ZINC000160160206 362041353 /nfs/dbraw/zinc/04/13/53/362041353.db2.gz SLWZIHLHFUYWNJ-HUUCEWRRSA-N 2 1 282.476 1.085 20 70 CDIDMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159994945 362386744 /nfs/dbraw/zinc/38/67/44/362386744.db2.gz QNMCMHSKTIILGJ-PWSUYJOCSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc2c1OCO2 ZINC000159994945 362386748 /nfs/dbraw/zinc/38/67/48/362386748.db2.gz QNMCMHSKTIILGJ-PWSUYJOCSA-N 2 1 278.352 1.593 20 70 CDIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(N)=O ZINC000160067618 364301672 /nfs/dbraw/zinc/30/16/72/364301672.db2.gz GEGRQVKOYRKDHU-CYBMUJFWSA-N 2 1 290.411 1.494 20 70 CDIDMP CCn1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cn1 ZINC000160718957 391568744 /nfs/dbraw/zinc/56/87/44/391568744.db2.gz BLRDPGARWOIFIV-GOEBONIOSA-N 2 1 294.443 1.791 20 70 CDIDMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550331 140163512 /nfs/dbraw/zinc/16/35/12/140163512.db2.gz BRWCZXRAVUPMNM-GJZGRUSLSA-N 2 1 289.423 1.877 20 70 CDIDMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217550331 140163514 /nfs/dbraw/zinc/16/35/14/140163514.db2.gz BRWCZXRAVUPMNM-GJZGRUSLSA-N 2 1 289.423 1.877 20 70 CDIDMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159889076 280283198 /nfs/dbraw/zinc/28/31/98/280283198.db2.gz KCWHHGNGVUUHQD-VHSXEESVSA-N 2 1 283.338 1.359 20 70 CDIDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159889076 280283199 /nfs/dbraw/zinc/28/31/99/280283199.db2.gz KCWHHGNGVUUHQD-VHSXEESVSA-N 2 1 283.338 1.359 20 70 CDIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160737556 522581035 /nfs/dbraw/zinc/58/10/35/522581035.db2.gz WGZPWJBPIMHFOQ-OAGGEKHMSA-N 2 1 284.444 1.628 20 70 CDIDMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159939633 361953767 /nfs/dbraw/zinc/95/37/67/361953767.db2.gz HBOFKWBVNSEBIK-UHFFFAOYSA-N 2 1 284.448 1.456 20 70 CDIDMP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995534 362386816 /nfs/dbraw/zinc/38/68/16/362386816.db2.gz ZIJMKFFAVMQYPJ-JQWIXIFHSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995534 362386822 /nfs/dbraw/zinc/38/68/22/362386822.db2.gz ZIJMKFFAVMQYPJ-JQWIXIFHSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995356 362386915 /nfs/dbraw/zinc/38/69/15/362386915.db2.gz ZIJMKFFAVMQYPJ-ZYHUDNBSSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159995356 362386919 /nfs/dbraw/zinc/38/69/19/362386919.db2.gz ZIJMKFFAVMQYPJ-ZYHUDNBSSA-N 2 1 278.352 1.593 20 70 CDIDMP O=C1NCCN1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160632905 296374212 /nfs/dbraw/zinc/37/42/12/296374212.db2.gz VFUFHDCDLKPAGH-UHFFFAOYSA-N 2 1 294.443 1.352 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702718 524912323 /nfs/dbraw/zinc/91/23/23/524912323.db2.gz XHKXAQJUVYITNZ-TWMKSMIVSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702718 524912333 /nfs/dbraw/zinc/91/23/33/524912333.db2.gz XHKXAQJUVYITNZ-TWMKSMIVSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702718 524912343 /nfs/dbraw/zinc/91/23/43/524912343.db2.gz XHKXAQJUVYITNZ-TWMKSMIVSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702718 524912352 /nfs/dbraw/zinc/91/23/52/524912352.db2.gz XHKXAQJUVYITNZ-TWMKSMIVSA-N 2 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702718 524912363 /nfs/dbraw/zinc/91/23/63/524912363.db2.gz XHKXAQJUVYITNZ-TWMKSMIVSA-N 2 1 297.487 1.542 20 70 CDIDMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160179376 362044516 /nfs/dbraw/zinc/04/45/16/362044516.db2.gz FLTRKWUBBKLDMA-XJKSGUPXSA-N 2 1 289.423 1.866 20 70 CDIDMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000160179376 362044522 /nfs/dbraw/zinc/04/45/22/362044522.db2.gz FLTRKWUBBKLDMA-XJKSGUPXSA-N 2 1 289.423 1.866 20 70 CDIDMP COCC[NH2+]CCNc1cc[nH+]cc1Br ZINC000159926512 362380090 /nfs/dbraw/zinc/38/00/90/362380090.db2.gz SRRMLQCPEQJGMJ-UHFFFAOYSA-N 2 1 274.162 1.492 20 70 CDIDMP C[N@H+]1CCC[C@@H]1CC[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000161409039 358801139 /nfs/dbraw/zinc/80/11/39/358801139.db2.gz QQRAKARQVHQXSU-UONOGXRCSA-N 2 1 252.402 1.972 20 70 CDIDMP C[NH+]1CCC[C@@H]1CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161409039 358801142 /nfs/dbraw/zinc/80/11/42/358801142.db2.gz QQRAKARQVHQXSU-UONOGXRCSA-N 2 1 252.402 1.972 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702601 391568071 /nfs/dbraw/zinc/56/80/71/391568071.db2.gz XHKXAQJUVYITNZ-VQHPVUNQSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702601 391568075 /nfs/dbraw/zinc/56/80/75/391568075.db2.gz XHKXAQJUVYITNZ-VQHPVUNQSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702601 391568079 /nfs/dbraw/zinc/56/80/79/391568079.db2.gz XHKXAQJUVYITNZ-VQHPVUNQSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702601 391568080 /nfs/dbraw/zinc/56/80/80/391568080.db2.gz XHKXAQJUVYITNZ-VQHPVUNQSA-N 2 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702601 391568083 /nfs/dbraw/zinc/56/80/83/391568083.db2.gz XHKXAQJUVYITNZ-VQHPVUNQSA-N 2 1 297.487 1.542 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000159961223 279286650 /nfs/dbraw/zinc/28/66/50/279286650.db2.gz IVACMYMSDYSQPY-UONOGXRCSA-N 2 1 294.443 1.349 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000159961223 279286652 /nfs/dbraw/zinc/28/66/52/279286652.db2.gz IVACMYMSDYSQPY-UONOGXRCSA-N 2 1 294.443 1.349 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000159961223 279286653 /nfs/dbraw/zinc/28/66/53/279286653.db2.gz IVACMYMSDYSQPY-UONOGXRCSA-N 2 1 294.443 1.349 20 70 CDIDMP CC[N@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000160840848 521612722 /nfs/dbraw/zinc/61/27/22/521612722.db2.gz YFKKDQIUNYDFCL-UHFFFAOYSA-N 2 1 253.434 1.890 20 70 CDIDMP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000159869412 362376988 /nfs/dbraw/zinc/37/69/88/362376988.db2.gz LAPGZAYYAQNRSP-VHSXEESVSA-N 2 1 281.322 1.114 20 70 CDIDMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159994872 362385751 /nfs/dbraw/zinc/38/57/51/362385751.db2.gz QNMCMHSKTIILGJ-CMPLNLGQSA-N 2 1 278.352 1.593 20 70 CDIDMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc2c1OCO2 ZINC000159994872 362385754 /nfs/dbraw/zinc/38/57/54/362385754.db2.gz QNMCMHSKTIILGJ-CMPLNLGQSA-N 2 1 278.352 1.593 20 70 CDIDMP C[N@@H+]1CCC[C@H]1CCSCC[NH+]1CCOCC1 ZINC000159849352 363372900 /nfs/dbraw/zinc/37/29/00/363372900.db2.gz XDPHWNPFXNJVKD-ZDUSSCGKSA-N 2 1 258.431 1.536 20 70 CDIDMP C[N@H+]1CCC[C@H]1CCSCC[NH+]1CCOCC1 ZINC000159849352 363372905 /nfs/dbraw/zinc/37/29/05/363372905.db2.gz XDPHWNPFXNJVKD-ZDUSSCGKSA-N 2 1 258.431 1.536 20 70 CDIDMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000217587937 373715512 /nfs/dbraw/zinc/71/55/12/373715512.db2.gz IHIXSNBWDGYARK-DZGCQCFKSA-N 2 1 275.396 1.535 20 70 CDIDMP CC[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000160356427 292784656 /nfs/dbraw/zinc/78/46/56/292784656.db2.gz XSAQWVNGLZURDG-CQSZACIVSA-N 2 1 299.459 1.143 20 70 CDIDMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CCO)CSC)[C@H](C)C1 ZINC000160222877 363771866 /nfs/dbraw/zinc/77/18/66/363771866.db2.gz RTZMWMYMVTWYPZ-AGIUHOORSA-N 2 1 260.447 1.420 20 70 CDIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161413456 523920409 /nfs/dbraw/zinc/92/04/09/523920409.db2.gz LWWRCTYTIXDHOF-GRTSSRMGSA-N 2 1 269.433 1.754 20 70 CDIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161413456 523920413 /nfs/dbraw/zinc/92/04/13/523920413.db2.gz LWWRCTYTIXDHOF-GRTSSRMGSA-N 2 1 269.433 1.754 20 70 CDIDMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H](C)C1 ZINC000160389798 276231091 /nfs/dbraw/zinc/23/10/91/276231091.db2.gz UQOOXTIVJVTECY-BNOWGMLFSA-N 2 1 277.416 1.221 20 70 CDIDMP CC[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)[NH+]1CCCC1 ZINC000161273408 280144028 /nfs/dbraw/zinc/14/40/28/280144028.db2.gz UWCGIEJJZVKYJP-GPANFISMSA-N 2 1 281.444 1.898 20 70 CDIDMP CC[NH+]1CCC(N(C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161350559 521559990 /nfs/dbraw/zinc/55/99/90/521559990.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 2 1 253.434 1.887 20 70 CDIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000159525198 528897747 /nfs/dbraw/zinc/89/77/47/528897747.db2.gz MWRHETPGDLQJCI-KBPBESRZSA-N 2 1 296.459 1.593 20 70 CDIDMP CC(=O)NC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000161258013 377510747 /nfs/dbraw/zinc/51/07/47/377510747.db2.gz CTCGFKAJKCCIGB-JQRITLKVSA-N 2 1 292.427 1.865 20 70 CDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000160627075 277296034 /nfs/dbraw/zinc/29/60/34/277296034.db2.gz SRQCUUGSUXQFPV-XJKSGUPXSA-N 2 1 287.407 1.254 20 70 CDIDMP CCC([NH3+])(CC)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000160555267 528925528 /nfs/dbraw/zinc/92/55/28/528925528.db2.gz NKAMBRQZPSGIPG-UHFFFAOYSA-N 2 1 277.412 1.752 20 70 CDIDMP CCC([NH3+])(CC)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000160555267 528925534 /nfs/dbraw/zinc/92/55/34/528925534.db2.gz NKAMBRQZPSGIPG-UHFFFAOYSA-N 2 1 277.412 1.752 20 70 CDIDMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000161454842 364495411 /nfs/dbraw/zinc/49/54/11/364495411.db2.gz GMJKHFUNKMTQKD-OAHLLOKOSA-N 2 1 277.412 1.575 20 70 CDIDMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000217934245 367260012 /nfs/dbraw/zinc/26/00/12/367260012.db2.gz IDQMPSYNDCSZSA-SGMGOOAPSA-N 2 1 263.385 1.909 20 70 CDIDMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000217934245 367260018 /nfs/dbraw/zinc/26/00/18/367260018.db2.gz IDQMPSYNDCSZSA-SGMGOOAPSA-N 2 1 263.385 1.909 20 70 CDIDMP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(CC[NH3+])CC1 ZINC000159871184 482754354 /nfs/dbraw/zinc/75/43/54/482754354.db2.gz AQPGGTXTDKIIRC-SECBINFHSA-N 2 1 281.322 1.114 20 70 CDIDMP C[C@@H](CNC(=O)[C@@H]1CCn2ccnc2C1)[N@@H+](C)C1CC1 ZINC000161311520 377185673 /nfs/dbraw/zinc/18/56/73/377185673.db2.gz DTILDFHXBICGRB-NWDGAFQWSA-N 2 1 276.384 1.044 20 70 CDIDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000217938292 536898908 /nfs/dbraw/zinc/89/89/08/536898908.db2.gz ZLGOBLVITBOWLC-SGMGOOAPSA-N 2 1 263.385 1.909 20 70 CDIDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000217938292 536898909 /nfs/dbraw/zinc/89/89/09/536898909.db2.gz ZLGOBLVITBOWLC-SGMGOOAPSA-N 2 1 263.385 1.909 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159628173 361757853 /nfs/dbraw/zinc/75/78/53/361757853.db2.gz VJNUYWXZXITZTP-HNNXBMFYSA-N 2 1 296.459 1.598 20 70 CDIDMP [NH3+]C[C@H]1CN(c2cc[nH+]cc2Br)CCO1 ZINC000159794123 362370926 /nfs/dbraw/zinc/37/09/26/362370926.db2.gz LDPBFVBXLRVPNH-QMMMGPOBSA-N 2 1 272.146 1.008 20 70 CDIDMP C[C@H](C[NH+]1CCCCC1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159898049 363426090 /nfs/dbraw/zinc/42/60/90/363426090.db2.gz MPFQGHRUKFBVQG-ZIAGYGMSSA-N 2 1 299.484 1.414 20 70 CDIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160737705 391569976 /nfs/dbraw/zinc/56/99/76/391569976.db2.gz WGZPWJBPIMHFOQ-BZUAXINKSA-N 2 1 284.444 1.628 20 70 CDIDMP Brc1c[nH+]ccc1NC[C@@H]1C[NH2+]CCO1 ZINC000159925703 362380347 /nfs/dbraw/zinc/38/03/47/362380347.db2.gz RGUMCLCNNZNPTN-QMMMGPOBSA-N 2 1 272.146 1.244 20 70 CDIDMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985258 362384577 /nfs/dbraw/zinc/38/45/77/362384577.db2.gz DIPCHGOTTBCWBC-YPMHNXCESA-N 2 1 292.379 1.983 20 70 CDIDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985258 362384581 /nfs/dbraw/zinc/38/45/81/362384581.db2.gz DIPCHGOTTBCWBC-YPMHNXCESA-N 2 1 292.379 1.983 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159513724 361442593 /nfs/dbraw/zinc/44/25/93/361442593.db2.gz MWKGFJVKARBZTL-RDBSUJKOSA-N 2 1 267.417 1.317 20 70 CDIDMP Brc1c[nH+]ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000159914574 275377569 /nfs/dbraw/zinc/37/75/69/275377569.db2.gz UKHFXNWOWASTEW-DTORHVGOSA-N 2 1 268.158 1.500 20 70 CDIDMP CCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159854687 528343109 /nfs/dbraw/zinc/34/31/09/528343109.db2.gz VCWRKJZLZRCLLU-UHFFFAOYSA-N 2 1 284.448 1.456 20 70 CDIDMP CCCC[NH+](C)CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159854687 528343115 /nfs/dbraw/zinc/34/31/15/528343115.db2.gz VCWRKJZLZRCLLU-UHFFFAOYSA-N 2 1 284.448 1.456 20 70 CDIDMP CCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159854687 528343119 /nfs/dbraw/zinc/34/31/19/528343119.db2.gz VCWRKJZLZRCLLU-UHFFFAOYSA-N 2 1 284.448 1.456 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000160160318 291146064 /nfs/dbraw/zinc/14/60/64/291146064.db2.gz SLWZIHLHFUYWNJ-LSDHHAIUSA-N 3 1 282.476 1.085 20 70 CDIDMP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CCN1C ZINC000160160318 291146065 /nfs/dbraw/zinc/14/60/65/291146065.db2.gz SLWZIHLHFUYWNJ-LSDHHAIUSA-N 2 1 282.476 1.085 20 70 CDIDMP COC(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000161197451 358793836 /nfs/dbraw/zinc/79/38/36/358793836.db2.gz PDUVLFNAMFFIBG-ZDUSSCGKSA-N 2 1 256.390 1.556 20 70 CDIDMP COC(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)OC ZINC000161197451 358793838 /nfs/dbraw/zinc/79/38/38/358793838.db2.gz PDUVLFNAMFFIBG-ZDUSSCGKSA-N 2 1 256.390 1.556 20 70 CDIDMP C[N@H+]1CCC[C@H]1CCN(CCO)Cc1ccccc1 ZINC000161408130 364489585 /nfs/dbraw/zinc/48/95/85/364489585.db2.gz DPWROUIZULKTNM-INIZCTEOSA-N 2 1 262.397 1.965 20 70 CDIDMP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)Cc1ccccc1 ZINC000161408130 364489592 /nfs/dbraw/zinc/48/95/92/364489592.db2.gz DPWROUIZULKTNM-INIZCTEOSA-N 2 1 262.397 1.965 20 70 CDIDMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)Cc1ccccc1 ZINC000161408130 364489598 /nfs/dbraw/zinc/48/95/98/364489598.db2.gz DPWROUIZULKTNM-INIZCTEOSA-N 2 1 262.397 1.965 20 70 CDIDMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)Cc1ccccc1 ZINC000161408130 364489604 /nfs/dbraw/zinc/48/96/04/364489604.db2.gz DPWROUIZULKTNM-INIZCTEOSA-N 2 1 262.397 1.965 20 70 CDIDMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)Cc1ccccc1 ZINC000161408130 364489611 /nfs/dbraw/zinc/48/96/11/364489611.db2.gz DPWROUIZULKTNM-INIZCTEOSA-N 2 1 262.397 1.965 20 70 CDIDMP CC(C)NC(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000160906887 519708121 /nfs/dbraw/zinc/70/81/21/519708121.db2.gz OBVSOSBBBZPRGA-UHFFFAOYSA-N 2 1 281.444 1.898 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000159962391 361975627 /nfs/dbraw/zinc/97/56/27/361975627.db2.gz FQSKDEXBUGBYNL-CQSZACIVSA-N 2 1 298.475 1.700 20 70 CDIDMP CC[C@H](COC)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160749979 358771239 /nfs/dbraw/zinc/77/12/39/358771239.db2.gz GQFNBFDQLZQQBO-ZIAGYGMSSA-N 2 1 258.406 1.238 20 70 CDIDMP C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161269016 391586578 /nfs/dbraw/zinc/58/65/78/391586578.db2.gz ZJKKKXGQACXTBV-MRXNPFEDSA-N 2 1 281.444 1.269 20 70 CDIDMP C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161269016 391586581 /nfs/dbraw/zinc/58/65/81/391586581.db2.gz ZJKKKXGQACXTBV-MRXNPFEDSA-N 2 1 281.444 1.269 20 70 CDIDMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000159903915 362378672 /nfs/dbraw/zinc/37/86/72/362378672.db2.gz JQDDGXOXZDIBTO-HZPDHXFCSA-N 3 1 265.445 1.935 20 70 CDIDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000159371244 364192886 /nfs/dbraw/zinc/19/28/86/364192886.db2.gz VQXCUZFTEBGLFK-ZFWWWQNUSA-N 2 1 275.396 1.185 20 70 CDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH+](C)C ZINC000159371244 364192887 /nfs/dbraw/zinc/19/28/87/364192887.db2.gz VQXCUZFTEBGLFK-ZFWWWQNUSA-N 2 1 275.396 1.185 20 70 CDIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000160668262 391561939 /nfs/dbraw/zinc/56/19/39/391561939.db2.gz QDFKYJLHZOMTIF-CVEARBPZSA-N 2 1 294.443 1.698 20 70 CDIDMP C[N@@H+]1CCC[C@@H]1CCSCC[NH+]1CCOCC1 ZINC000159849186 363372972 /nfs/dbraw/zinc/37/29/72/363372972.db2.gz XDPHWNPFXNJVKD-CYBMUJFWSA-N 2 1 258.431 1.536 20 70 CDIDMP C[N@H+]1CCC[C@@H]1CCSCC[NH+]1CCOCC1 ZINC000159849186 363372977 /nfs/dbraw/zinc/37/29/77/363372977.db2.gz XDPHWNPFXNJVKD-CYBMUJFWSA-N 2 1 258.431 1.536 20 70 CDIDMP CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160830824 390981336 /nfs/dbraw/zinc/98/13/36/390981336.db2.gz CNXUIQLIKXMPCC-ZQDZILKHSA-N 2 1 254.418 1.977 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702842 288105608 /nfs/dbraw/zinc/10/56/08/288105608.db2.gz XHKXAQJUVYITNZ-QBPKDAKJSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702842 288105609 /nfs/dbraw/zinc/10/56/09/288105609.db2.gz XHKXAQJUVYITNZ-QBPKDAKJSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702842 288105612 /nfs/dbraw/zinc/10/56/12/288105612.db2.gz XHKXAQJUVYITNZ-QBPKDAKJSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702842 288105615 /nfs/dbraw/zinc/10/56/15/288105615.db2.gz XHKXAQJUVYITNZ-QBPKDAKJSA-N 2 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702842 288105617 /nfs/dbraw/zinc/10/56/17/288105617.db2.gz XHKXAQJUVYITNZ-QBPKDAKJSA-N 2 1 297.487 1.542 20 70 CDIDMP c1ncn([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000160981194 526618415 /nfs/dbraw/zinc/61/84/15/526618415.db2.gz ZNYVQSKCKCYFRL-HNNXBMFYSA-N 2 1 277.416 1.791 20 70 CDIDMP c1ncn([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000160981194 526618422 /nfs/dbraw/zinc/61/84/22/526618422.db2.gz ZNYVQSKCKCYFRL-HNNXBMFYSA-N 2 1 277.416 1.791 20 70 CDIDMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000161277455 362385812 /nfs/dbraw/zinc/38/58/12/362385812.db2.gz XSLCPAWXWBWYTH-CQSZACIVSA-N 2 1 283.460 1.988 20 70 CDIDMP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836829 282262140 /nfs/dbraw/zinc/26/21/40/282262140.db2.gz IMDBMIKXYLZSES-ZFWWWQNUSA-N 2 1 294.443 1.349 20 70 CDIDMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160190552 363740185 /nfs/dbraw/zinc/74/01/85/363740185.db2.gz WELCTEBFFJZMLU-NVXWUHKLSA-N 3 1 296.503 1.332 20 70 CDIDMP CCN1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160190552 363740191 /nfs/dbraw/zinc/74/01/91/363740191.db2.gz WELCTEBFFJZMLU-NVXWUHKLSA-N 2 1 296.503 1.332 20 70 CDIDMP C[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)[N@@H+](C)C1CC1 ZINC000161311759 369833102 /nfs/dbraw/zinc/83/31/02/369833102.db2.gz DTILDFHXBICGRB-RYUDHWBXSA-N 2 1 276.384 1.044 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000159961367 285215952 /nfs/dbraw/zinc/21/59/52/285215952.db2.gz IVACMYMSDYSQPY-KBPBESRZSA-N 2 1 294.443 1.349 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000159961367 285215955 /nfs/dbraw/zinc/21/59/55/285215955.db2.gz IVACMYMSDYSQPY-KBPBESRZSA-N 2 1 294.443 1.349 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000159961367 285215957 /nfs/dbraw/zinc/21/59/57/285215957.db2.gz IVACMYMSDYSQPY-KBPBESRZSA-N 2 1 294.443 1.349 20 70 CDIDMP CCC[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000160662025 539116153 /nfs/dbraw/zinc/11/61/53/539116153.db2.gz PMNGHALCJWNJQY-QGZVFWFLSA-N 3 1 297.487 1.687 20 70 CDIDMP CCCN1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000160662025 539116154 /nfs/dbraw/zinc/11/61/54/539116154.db2.gz PMNGHALCJWNJQY-QGZVFWFLSA-N 2 1 297.487 1.687 20 70 CDIDMP CCCN1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000160662025 539116155 /nfs/dbraw/zinc/11/61/55/539116155.db2.gz PMNGHALCJWNJQY-QGZVFWFLSA-N 2 1 297.487 1.687 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1ccccc1)[C@H](CN)C1CC1 ZINC000159975886 362384028 /nfs/dbraw/zinc/38/40/28/362384028.db2.gz YUZOFSPGJXRWDD-CQSZACIVSA-N 2 1 261.369 1.684 20 70 CDIDMP C[N@H+](CCC(=O)Nc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000159975886 362384034 /nfs/dbraw/zinc/38/40/34/362384034.db2.gz YUZOFSPGJXRWDD-CQSZACIVSA-N 2 1 261.369 1.684 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000159975886 362384038 /nfs/dbraw/zinc/38/40/38/362384038.db2.gz YUZOFSPGJXRWDD-CQSZACIVSA-N 2 1 261.369 1.684 20 70 CDIDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218092636 367261088 /nfs/dbraw/zinc/26/10/88/367261088.db2.gz IAWBRTGDHSUNOB-UHFFFAOYSA-N 2 1 263.385 1.605 20 70 CDIDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218092636 367261091 /nfs/dbraw/zinc/26/10/91/367261091.db2.gz IAWBRTGDHSUNOB-UHFFFAOYSA-N 2 1 263.385 1.605 20 70 CDIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000161270860 527395540 /nfs/dbraw/zinc/39/55/40/527395540.db2.gz JVZMJKMDTPGZTI-CQSZACIVSA-N 2 1 251.374 1.676 20 70 CDIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000161270860 527395545 /nfs/dbraw/zinc/39/55/45/527395545.db2.gz JVZMJKMDTPGZTI-CQSZACIVSA-N 2 1 251.374 1.676 20 70 CDIDMP CNC(=O)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161360492 529846509 /nfs/dbraw/zinc/84/65/09/529846509.db2.gz GHRODGPSQILJKO-UHFFFAOYSA-N 2 1 281.444 1.711 20 70 CDIDMP COc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000161279696 364473553 /nfs/dbraw/zinc/47/35/53/364473553.db2.gz DNHQLRYLQVCJEQ-UHFFFAOYSA-N 2 1 291.439 1.765 20 70 CDIDMP CC(=O)NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161298900 519673079 /nfs/dbraw/zinc/67/30/79/519673079.db2.gz OHRQDKQXLYACEF-MRXNPFEDSA-N 2 1 281.444 1.711 20 70 CDIDMP CCn1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cn1 ZINC000160718807 523456570 /nfs/dbraw/zinc/45/65/70/523456570.db2.gz BLRDPGARWOIFIV-GDBMZVCRSA-N 2 1 294.443 1.791 20 70 CDIDMP O=C1CCCN1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160930920 526973282 /nfs/dbraw/zinc/97/32/82/526973282.db2.gz MJMYAPZKWUOWBC-UHFFFAOYSA-N 2 1 293.455 1.949 20 70 CDIDMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160836458 282197957 /nfs/dbraw/zinc/19/79/57/282197957.db2.gz IMDBMIKXYLZSES-UKRRQHHQSA-N 2 1 294.443 1.349 20 70 CDIDMP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160703817 147723432 /nfs/dbraw/zinc/72/34/32/147723432.db2.gz AIIKSOLLALCJJI-ZIAGYGMSSA-N 2 1 259.353 1.247 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000159949838 279286154 /nfs/dbraw/zinc/28/61/54/279286154.db2.gz RLWHZDAPSCMHAZ-CABCVRRESA-N 2 1 296.459 1.596 20 70 CDIDMP CCSCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000159569630 362344516 /nfs/dbraw/zinc/34/45/16/362344516.db2.gz PZHVSWAJPVEGNN-KGLIPLIRSA-N 2 1 299.484 1.320 20 70 CDIDMP C[C@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012912 291084513 /nfs/dbraw/zinc/08/45/13/291084513.db2.gz UNIWPVISNJPTHU-XGUBFFRZSA-N 2 1 253.434 1.932 20 70 CDIDMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000161012912 291084514 /nfs/dbraw/zinc/08/45/14/291084514.db2.gz UNIWPVISNJPTHU-XGUBFFRZSA-N 2 1 253.434 1.932 20 70 CDIDMP CNC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161051710 529922432 /nfs/dbraw/zinc/92/24/32/529922432.db2.gz KOVHENNCHWQUTF-AWEZNQCLSA-N 2 1 267.417 1.320 20 70 CDIDMP [NH3+]C1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806458 303356655 /nfs/dbraw/zinc/35/66/55/303356655.db2.gz ZZFVXBVDXLWGME-STQMWFEESA-N 2 1 265.401 1.391 20 70 CDIDMP CC[C@](C)(O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765617 529374239 /nfs/dbraw/zinc/37/42/39/529374239.db2.gz LVYCYFKOSAZRQP-BBWFWOEESA-N 2 1 297.487 1.638 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000160160421 362040682 /nfs/dbraw/zinc/04/06/82/362040682.db2.gz SLWZIHLHFUYWNJ-CABCVRRESA-N 3 1 282.476 1.085 20 70 CDIDMP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CCN1C ZINC000160160421 362040686 /nfs/dbraw/zinc/04/06/86/362040686.db2.gz SLWZIHLHFUYWNJ-CABCVRRESA-N 2 1 282.476 1.085 20 70 CDIDMP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217808104 367258277 /nfs/dbraw/zinc/25/82/77/367258277.db2.gz KUKQOHTWWAVFNX-OAGGEKHMSA-N 2 1 287.407 1.299 20 70 CDIDMP COC(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000161264677 522533268 /nfs/dbraw/zinc/53/32/68/522533268.db2.gz OSRQKEZHJDFCND-CYBMUJFWSA-N 2 1 256.390 1.413 20 70 CDIDMP COC(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)OC ZINC000161264677 522533273 /nfs/dbraw/zinc/53/32/73/522533273.db2.gz OSRQKEZHJDFCND-CYBMUJFWSA-N 2 1 256.390 1.413 20 70 CDIDMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160665476 346190164 /nfs/dbraw/zinc/19/01/64/346190164.db2.gz CYUNGHFNCDPUFS-HNNXBMFYSA-N 2 1 294.443 1.208 20 70 CDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000160627200 277296080 /nfs/dbraw/zinc/29/60/80/277296080.db2.gz SRQCUUGSUXQFPV-CZUORRHYSA-N 2 1 287.407 1.254 20 70 CDIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067286 525637358 /nfs/dbraw/zinc/63/73/58/525637358.db2.gz YVGJIYXFIKDKMD-BNOWGMLFSA-N 2 1 250.390 1.944 20 70 CDIDMP [NH3+][C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)c2ccccc21 ZINC000160703954 362475194 /nfs/dbraw/zinc/47/51/94/362475194.db2.gz AIIKSOLLALCJJI-UONOGXRCSA-N 2 1 259.353 1.247 20 70 CDIDMP CCC([NH3+])(CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000160476034 377069541 /nfs/dbraw/zinc/06/95/41/377069541.db2.gz MEXDUQMEWVLFRT-AWEZNQCLSA-N 2 1 277.412 1.923 20 70 CDIDMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000161289526 364474338 /nfs/dbraw/zinc/47/43/38/364474338.db2.gz XUQOSPHXEZHMDL-UHFFFAOYSA-N 2 1 265.401 1.657 20 70 CDIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067375 525613014 /nfs/dbraw/zinc/61/30/14/525613014.db2.gz YVGJIYXFIKDKMD-UBHSHLNASA-N 2 1 250.390 1.944 20 70 CDIDMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159866476 362376472 /nfs/dbraw/zinc/37/64/72/362376472.db2.gz DPHSJEGIPOXNEK-IUCAKERBSA-N 2 1 281.322 1.113 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000159664467 364247466 /nfs/dbraw/zinc/24/74/66/364247466.db2.gz ZGCZJGZMSZXZIY-AWEZNQCLSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000159664467 364247472 /nfs/dbraw/zinc/24/74/72/364247472.db2.gz ZGCZJGZMSZXZIY-AWEZNQCLSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000159664467 364247477 /nfs/dbraw/zinc/24/74/77/364247477.db2.gz ZGCZJGZMSZXZIY-AWEZNQCLSA-N 2 1 294.443 1.208 20 70 CDIDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159889219 392492930 /nfs/dbraw/zinc/49/29/30/392492930.db2.gz KCWHHGNGVUUHQD-UWVGGRQHSA-N 2 1 283.338 1.359 20 70 CDIDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159889219 392492934 /nfs/dbraw/zinc/49/29/34/392492934.db2.gz KCWHHGNGVUUHQD-UWVGGRQHSA-N 2 1 283.338 1.359 20 70 CDIDMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000216650917 287386444 /nfs/dbraw/zinc/38/64/44/287386444.db2.gz LTOKVHWJWJIMRU-MCIONIFRSA-N 2 1 267.417 1.447 20 70 CDIDMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000216650917 287386445 /nfs/dbraw/zinc/38/64/45/287386445.db2.gz LTOKVHWJWJIMRU-MCIONIFRSA-N 2 1 267.417 1.447 20 70 CDIDMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C)CC1 ZINC000161478058 364500282 /nfs/dbraw/zinc/50/02/82/364500282.db2.gz JDBURSVCRJDCFU-MRXNPFEDSA-N 2 1 262.397 1.928 20 70 CDIDMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159577063 279334154 /nfs/dbraw/zinc/33/41/54/279334154.db2.gz XYDYKODGINUVCN-QWHCGFSZSA-N 2 1 255.406 1.173 20 70 CDIDMP CC[C@H]1C[N@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@@H]1[NH3+] ZINC000159991243 482775840 /nfs/dbraw/zinc/77/58/40/482775840.db2.gz XDAGWDMSLMRGSJ-STQMWFEESA-N 2 1 292.379 1.983 20 70 CDIDMP CC[C@H]1C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@@H]1[NH3+] ZINC000159991243 482775843 /nfs/dbraw/zinc/77/58/43/482775843.db2.gz XDAGWDMSLMRGSJ-STQMWFEESA-N 2 1 292.379 1.983 20 70 CDIDMP CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000161286956 362402920 /nfs/dbraw/zinc/40/29/20/362402920.db2.gz BIZHANVCFZOPIV-KGLIPLIRSA-N 2 1 299.459 1.055 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000160291758 364330157 /nfs/dbraw/zinc/33/01/57/364330157.db2.gz MCCYSMNKPMDVTQ-CVEARBPZSA-N 2 1 287.407 1.601 20 70 CDIDMP Oc1cccc(N2CCN(CCn3ccnc3)CC2)c1 ZINC000161318851 364478229 /nfs/dbraw/zinc/47/82/29/364478229.db2.gz JMSPLWCTXGQQMV-UHFFFAOYSA-N 2 1 272.352 1.411 20 70 CDIDMP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000218159559 277328258 /nfs/dbraw/zinc/32/82/58/277328258.db2.gz BOHVQJHHVDNWNJ-SQWLQELKSA-N 2 1 295.471 1.952 20 70 CDIDMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160293876 278080984 /nfs/dbraw/zinc/08/09/84/278080984.db2.gz UUEYPDSGLCESKB-GFCCVEGCSA-N 2 1 264.373 1.346 20 70 CDIDMP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000217924695 536428186 /nfs/dbraw/zinc/42/81/86/536428186.db2.gz LLDVOGSQDFGZKW-HEHGZKQESA-N 2 1 289.423 1.865 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000159664600 361765061 /nfs/dbraw/zinc/76/50/61/361765061.db2.gz ZGCZJGZMSZXZIY-CQSZACIVSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000159664600 361765068 /nfs/dbraw/zinc/76/50/68/361765068.db2.gz ZGCZJGZMSZXZIY-CQSZACIVSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000159664600 361765073 /nfs/dbraw/zinc/76/50/73/361765073.db2.gz ZGCZJGZMSZXZIY-CQSZACIVSA-N 2 1 294.443 1.208 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702968 391568012 /nfs/dbraw/zinc/56/80/12/391568012.db2.gz XHKXAQJUVYITNZ-YYIAUSFCSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702968 391568017 /nfs/dbraw/zinc/56/80/17/391568017.db2.gz XHKXAQJUVYITNZ-YYIAUSFCSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702968 391568021 /nfs/dbraw/zinc/56/80/21/391568021.db2.gz XHKXAQJUVYITNZ-YYIAUSFCSA-N 3 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160702968 391568024 /nfs/dbraw/zinc/56/80/24/391568024.db2.gz XHKXAQJUVYITNZ-YYIAUSFCSA-N 2 1 297.487 1.542 20 70 CDIDMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702968 391568028 /nfs/dbraw/zinc/56/80/28/391568028.db2.gz XHKXAQJUVYITNZ-YYIAUSFCSA-N 2 1 297.487 1.542 20 70 CDIDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000159736286 363253070 /nfs/dbraw/zinc/25/30/70/363253070.db2.gz NWSNHXJFNQFSJJ-UHFFFAOYSA-N 2 1 298.452 1.912 20 70 CDIDMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[NH3+] ZINC000218189984 140165520 /nfs/dbraw/zinc/16/55/20/140165520.db2.gz PRGLBOUAEPTJIH-SECBINFHSA-N 2 1 257.175 1.928 20 70 CDIDMP CCOCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000159959933 528660854 /nfs/dbraw/zinc/66/08/54/528660854.db2.gz IVRSEFWMWOWVFO-CALCHBBNSA-N 2 1 297.487 1.903 20 70 CDIDMP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217808269 367257920 /nfs/dbraw/zinc/25/79/20/367257920.db2.gz KUKQOHTWWAVFNX-PMPSAXMXSA-N 2 1 287.407 1.299 20 70 CDIDMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000217934084 367259584 /nfs/dbraw/zinc/25/95/84/367259584.db2.gz IDQMPSYNDCSZSA-OUCADQQQSA-N 2 1 263.385 1.909 20 70 CDIDMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccn1 ZINC000217934084 367259586 /nfs/dbraw/zinc/25/95/86/367259586.db2.gz IDQMPSYNDCSZSA-OUCADQQQSA-N 2 1 263.385 1.909 20 70 CDIDMP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000218361002 391306242 /nfs/dbraw/zinc/30/62/42/391306242.db2.gz SZTBXFSCWRAFCP-UONOGXRCSA-N 2 1 269.433 1.598 20 70 CDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161484299 524900690 /nfs/dbraw/zinc/90/06/90/524900690.db2.gz JTVCIHGPHZTYCZ-KBMXLJTQSA-N 2 1 262.397 1.692 20 70 CDIDMP c1nnc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000161488291 526622945 /nfs/dbraw/zinc/62/29/45/526622945.db2.gz BUSGLNXGSFEOPJ-UHFFFAOYSA-N 2 1 277.416 1.860 20 70 CDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCOCC1 ZINC000160768301 390981142 /nfs/dbraw/zinc/98/11/42/390981142.db2.gz ZHJZHIAEYPYLNB-GDBMZVCRSA-N 2 1 284.444 1.628 20 70 CDIDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161348582 519863836 /nfs/dbraw/zinc/86/38/36/519863836.db2.gz WJXMLFIFKUMRHM-QQFBHYJXSA-N 2 1 281.444 1.755 20 70 CDIDMP [NH3+]CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000160057666 364300769 /nfs/dbraw/zinc/30/07/69/364300769.db2.gz IGCQXPOBNOQWMV-CQSZACIVSA-N 2 1 279.359 1.255 20 70 CDIDMP [NH3+]CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000160057666 364300772 /nfs/dbraw/zinc/30/07/72/364300772.db2.gz IGCQXPOBNOQWMV-CQSZACIVSA-N 2 1 279.359 1.255 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000160291627 390978530 /nfs/dbraw/zinc/97/85/30/390978530.db2.gz MCCYSMNKPMDVTQ-HZPDHXFCSA-N 2 1 287.407 1.601 20 70 CDIDMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1C ZINC000161012545 278028704 /nfs/dbraw/zinc/02/87/04/278028704.db2.gz UNIWPVISNJPTHU-TUVASFSCSA-N 2 1 253.434 1.932 20 70 CDIDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C ZINC000161012545 278028705 /nfs/dbraw/zinc/02/87/05/278028705.db2.gz UNIWPVISNJPTHU-TUVASFSCSA-N 2 1 253.434 1.932 20 70 CDIDMP COC(=O)[C@H](O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161446103 523935240 /nfs/dbraw/zinc/93/52/40/523935240.db2.gz GUIGOSCFPJHGCZ-OAHLLOKOSA-N 2 1 298.427 1.108 20 70 CDIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161067484 525679751 /nfs/dbraw/zinc/67/97/51/525679751.db2.gz YVGJIYXFIKDKMD-XBFCOCLRSA-N 2 1 250.390 1.944 20 70 CDIDMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000161163939 358789843 /nfs/dbraw/zinc/78/98/43/358789843.db2.gz ZDYKPBKETLWLNN-RBSFLKMASA-N 2 1 253.434 1.933 20 70 CDIDMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161163939 358789845 /nfs/dbraw/zinc/78/98/45/358789845.db2.gz ZDYKPBKETLWLNN-RBSFLKMASA-N 2 1 253.434 1.933 20 70 CDIDMP CC[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000161163939 358789847 /nfs/dbraw/zinc/78/98/47/358789847.db2.gz ZDYKPBKETLWLNN-RBSFLKMASA-N 2 1 253.434 1.933 20 70 CDIDMP C[C@@H](O)C[NH+](C)Cc1cccc(C[N@H+](C)C[C@@H](C)O)c1 ZINC000159495251 364219035 /nfs/dbraw/zinc/21/90/35/364219035.db2.gz MXFDRIFDLLGQOT-ZIAGYGMSSA-N 2 1 280.412 1.312 20 70 CDIDMP CC(C)([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000160072449 364301571 /nfs/dbraw/zinc/30/15/71/364301571.db2.gz RHTRJVDWHFNJCF-HNNXBMFYSA-N 2 1 289.423 1.895 20 70 CDIDMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159871458 362377111 /nfs/dbraw/zinc/37/71/11/362377111.db2.gz LJJJTBCKZIWBJB-SNVBAGLBSA-N 2 1 295.349 1.375 20 70 CDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160682078 287022552 /nfs/dbraw/zinc/02/25/52/287022552.db2.gz VEHVEKVQMIMVAQ-QLFBSQMISA-N 2 1 270.417 1.238 20 70 CDIDMP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000160626949 277300958 /nfs/dbraw/zinc/30/09/58/277300958.db2.gz SRQCUUGSUXQFPV-CJNGLKHVSA-N 2 1 287.407 1.254 20 70 CDIDMP COC(=O)[C@H](C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161280715 523862368 /nfs/dbraw/zinc/86/23/68/523862368.db2.gz WVPJFGLUEDVRSM-CYBMUJFWSA-N 2 1 256.390 1.603 20 70 CDIDMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc2c1OCO2 ZINC000159978589 362383645 /nfs/dbraw/zinc/38/36/45/362383645.db2.gz ZWJPOTGULHPZEO-LLVKDONJSA-N 2 1 278.352 1.595 20 70 CDIDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc2c1OCO2 ZINC000159978589 362383649 /nfs/dbraw/zinc/38/36/49/362383649.db2.gz ZWJPOTGULHPZEO-LLVKDONJSA-N 2 1 278.352 1.595 20 70 CDIDMP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000159869541 359794704 /nfs/dbraw/zinc/79/47/04/359794704.db2.gz LAPGZAYYAQNRSP-NXEZZACHSA-N 2 1 281.322 1.114 20 70 CDIDMP CC(=O)NC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000161277946 519645406 /nfs/dbraw/zinc/64/54/06/519645406.db2.gz IACCICFVPLOSID-NFOMZHRRSA-N 2 1 279.428 1.508 20 70 CDIDMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160665355 346190205 /nfs/dbraw/zinc/19/02/05/346190205.db2.gz CYUNGHFNCDPUFS-OAHLLOKOSA-N 2 1 294.443 1.208 20 70 CDIDMP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000160318487 364334757 /nfs/dbraw/zinc/33/47/57/364334757.db2.gz NSSVUCKDAWZTDV-CABCVRRESA-N 2 1 273.380 1.211 20 70 CDIDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)cn3)C2)CC1 ZINC000160049996 362012844 /nfs/dbraw/zinc/01/28/44/362012844.db2.gz ARPSMIDEDVNVDL-QGZVFWFLSA-N 2 1 288.439 1.602 20 70 CDIDMP C[NH2+]C[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000159898637 362379138 /nfs/dbraw/zinc/37/91/38/362379138.db2.gz DMAQOQXLWHFXND-VIFPVBQESA-N 2 1 270.174 1.890 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159513586 361437423 /nfs/dbraw/zinc/43/74/23/361437423.db2.gz MWKGFJVKARBZTL-MCIONIFRSA-N 2 1 267.417 1.317 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159514008 361444541 /nfs/dbraw/zinc/44/45/41/361444541.db2.gz MWKGFJVKARBZTL-HZSPNIEDSA-N 2 1 267.417 1.317 20 70 CDIDMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217806794 140164282 /nfs/dbraw/zinc/16/42/82/140164282.db2.gz MTCZEZZNFVQKOF-ILXRZTDVSA-N 2 1 273.380 1.429 20 70 CDIDMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217806794 140164284 /nfs/dbraw/zinc/16/42/84/140164284.db2.gz MTCZEZZNFVQKOF-ILXRZTDVSA-N 2 1 273.380 1.429 20 70 CDIDMP COc1c(C)c[nH+]c(CN(C)[C@@H](C[NH3+])C2CC2)c1C ZINC000160166130 277781707 /nfs/dbraw/zinc/78/17/07/277781707.db2.gz ISKUGAGOMRHXSU-AWEZNQCLSA-N 2 1 263.385 1.876 20 70 CDIDMP CCCn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160090043 482781615 /nfs/dbraw/zinc/78/16/15/482781615.db2.gz WEZQXXFOZSZMHM-CYBMUJFWSA-N 2 1 262.401 1.867 20 70 CDIDMP CCCn1nccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000160090043 482781621 /nfs/dbraw/zinc/78/16/21/482781621.db2.gz WEZQXXFOZSZMHM-CYBMUJFWSA-N 2 1 262.401 1.867 20 70 CDIDMP [NH3+]CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000160129477 237167690 /nfs/dbraw/zinc/16/76/90/237167690.db2.gz JWMQJNGNYGZKOE-HNNXBMFYSA-N 2 1 275.396 1.506 20 70 CDIDMP COC(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000161264823 522534994 /nfs/dbraw/zinc/53/49/94/522534994.db2.gz OSRQKEZHJDFCND-ZDUSSCGKSA-N 2 1 256.390 1.413 20 70 CDIDMP COC(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)OC ZINC000161264823 522535005 /nfs/dbraw/zinc/53/50/05/522535005.db2.gz OSRQKEZHJDFCND-ZDUSSCGKSA-N 2 1 256.390 1.413 20 70 CDIDMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)C ZINC000160737278 522353084 /nfs/dbraw/zinc/35/30/84/522353084.db2.gz MWUPQZQXZLCYLR-HUUCEWRRSA-N 2 1 272.433 1.484 20 70 CDIDMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000159866625 362376680 /nfs/dbraw/zinc/37/66/80/362376680.db2.gz DPHSJEGIPOXNEK-BDAKNGLRSA-N 2 1 281.322 1.113 20 70 CDIDMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000159978733 362383046 /nfs/dbraw/zinc/38/30/46/362383046.db2.gz ZWJPOTGULHPZEO-NSHDSACASA-N 2 1 278.352 1.595 20 70 CDIDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000159978733 362383049 /nfs/dbraw/zinc/38/30/49/362383049.db2.gz ZWJPOTGULHPZEO-NSHDSACASA-N 2 1 278.352 1.595 20 70 CDIDMP C[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000160035924 362388270 /nfs/dbraw/zinc/38/82/70/362388270.db2.gz DFYQGPUILQZHIZ-AWEZNQCLSA-N 2 1 279.359 1.823 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000160035924 362388277 /nfs/dbraw/zinc/38/82/77/362388277.db2.gz DFYQGPUILQZHIZ-AWEZNQCLSA-N 2 1 279.359 1.823 20 70 CDIDMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160686858 346194375 /nfs/dbraw/zinc/19/43/75/346194375.db2.gz SWJVJMVPSFBPGH-LSDHHAIUSA-N 2 1 294.443 1.206 20 70 CDIDMP CC[C@@](C)(O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160845892 358774571 /nfs/dbraw/zinc/77/45/71/358774571.db2.gz AJTMZLIIHXUBDL-HLLBOEOZSA-N 2 1 298.471 1.969 20 70 CDIDMP CC[N@@H+](CCNC(=O)C(CC)(CC)C[NH3+])C(C)C ZINC000161280722 377545974 /nfs/dbraw/zinc/54/59/74/377545974.db2.gz ADVNYAYTFYNPHZ-UHFFFAOYSA-N 2 1 257.422 1.598 20 70 CDIDMP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000217924527 536426962 /nfs/dbraw/zinc/42/69/62/536426962.db2.gz LLDVOGSQDFGZKW-WOSRLPQWSA-N 2 1 289.423 1.865 20 70 CDIDMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985013 362385719 /nfs/dbraw/zinc/38/57/19/362385719.db2.gz DIPCHGOTTBCWBC-DGCLKSJQSA-N 2 1 292.379 1.983 20 70 CDIDMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc2c1OCO2 ZINC000159985013 362385722 /nfs/dbraw/zinc/38/57/22/362385722.db2.gz DIPCHGOTTBCWBC-DGCLKSJQSA-N 2 1 292.379 1.983 20 70 CDIDMP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159897925 363427007 /nfs/dbraw/zinc/42/70/07/363427007.db2.gz MPFQGHRUKFBVQG-UONOGXRCSA-N 2 1 299.484 1.414 20 70 CDIDMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000218251820 391636513 /nfs/dbraw/zinc/63/65/13/391636513.db2.gz LXCIMSGHZGSKEI-LSDHHAIUSA-N 2 1 273.380 1.111 20 70 CDIDMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000218251820 391636518 /nfs/dbraw/zinc/63/65/18/391636518.db2.gz LXCIMSGHZGSKEI-LSDHHAIUSA-N 2 1 273.380 1.111 20 70 CDIDMP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217559221 140163596 /nfs/dbraw/zinc/16/35/96/140163596.db2.gz IBLWRYJKKJTRAR-OLZOCXBDSA-N 2 1 267.417 1.495 20 70 CDIDMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217559221 140163597 /nfs/dbraw/zinc/16/35/97/140163597.db2.gz IBLWRYJKKJTRAR-OLZOCXBDSA-N 2 1 267.417 1.495 20 70 CDIDMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159805285 361866038 /nfs/dbraw/zinc/86/60/38/361866038.db2.gz URFVBPISMNWERV-AWEZNQCLSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159805285 361866042 /nfs/dbraw/zinc/86/60/42/361866042.db2.gz URFVBPISMNWERV-AWEZNQCLSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159805285 361866049 /nfs/dbraw/zinc/86/60/49/361866049.db2.gz URFVBPISMNWERV-AWEZNQCLSA-N 2 1 284.448 1.454 20 70 CDIDMP CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@@H+]1CCOC ZINC000161287632 362407264 /nfs/dbraw/zinc/40/72/64/362407264.db2.gz PRRCTZFFIHRXOQ-CQSZACIVSA-N 2 1 299.459 1.321 20 70 CDIDMP CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@H+]1CCOC ZINC000161287632 362407266 /nfs/dbraw/zinc/40/72/66/362407266.db2.gz PRRCTZFFIHRXOQ-CQSZACIVSA-N 2 1 299.459 1.321 20 70 CDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000160620442 364382064 /nfs/dbraw/zinc/38/20/64/364382064.db2.gz PNTVZSPYLTWFRL-ZIAGYGMSSA-N 2 1 261.369 1.110 20 70 CDIDMP NC(=O)c1cccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000216625532 364042723 /nfs/dbraw/zinc/04/27/23/364042723.db2.gz XHBAVBNKOVUULU-GJZGRUSLSA-N 2 1 273.380 1.502 20 70 CDIDMP Cc1occc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000161474339 526823390 /nfs/dbraw/zinc/82/33/90/526823390.db2.gz ABTOFWWJVWOISW-UHFFFAOYSA-N 2 1 265.401 1.657 20 70 CDIDMP CCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159912283 528198868 /nfs/dbraw/zinc/19/88/68/528198868.db2.gz MWJZSXFDMAGTNZ-UHFFFAOYSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[NH3+] ZINC000218288191 342439600 /nfs/dbraw/zinc/43/96/00/342439600.db2.gz GTGCWBDRTBWCMU-LBPRGKRZSA-N 2 1 252.358 1.573 20 70 CDIDMP CC(=O)NC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000161278062 358794079 /nfs/dbraw/zinc/79/40/79/358794079.db2.gz IACCICFVPLOSID-WLYUNCDWSA-N 2 1 279.428 1.508 20 70 CDIDMP [NH3+]CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000160129369 237170522 /nfs/dbraw/zinc/17/05/22/237170522.db2.gz JWMQJNGNYGZKOE-OAHLLOKOSA-N 2 1 275.396 1.506 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1 ZINC000159823528 361875060 /nfs/dbraw/zinc/87/50/60/361875060.db2.gz PRQMQHANHKFPKS-ZDUSSCGKSA-N 2 1 282.432 1.206 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000159823528 361875064 /nfs/dbraw/zinc/87/50/64/361875064.db2.gz PRQMQHANHKFPKS-ZDUSSCGKSA-N 2 1 282.432 1.206 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000159823528 361875069 /nfs/dbraw/zinc/87/50/69/361875069.db2.gz PRQMQHANHKFPKS-ZDUSSCGKSA-N 2 1 282.432 1.206 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159628293 285214530 /nfs/dbraw/zinc/21/45/30/285214530.db2.gz VJNUYWXZXITZTP-OAHLLOKOSA-N 2 1 296.459 1.598 20 70 CDIDMP C[N@@H+](CCCO)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161125204 529893610 /nfs/dbraw/zinc/89/36/10/529893610.db2.gz PHTLEQKDCGCTOP-UHFFFAOYSA-N 2 1 297.487 1.641 20 70 CDIDMP C[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C[NH3+])C1CC1 ZINC000160036020 362388042 /nfs/dbraw/zinc/38/80/42/362388042.db2.gz DFYQGPUILQZHIZ-CQSZACIVSA-N 2 1 279.359 1.823 20 70 CDIDMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C[NH3+])C1CC1 ZINC000160036020 362388045 /nfs/dbraw/zinc/38/80/45/362388045.db2.gz DFYQGPUILQZHIZ-CQSZACIVSA-N 2 1 279.359 1.823 20 70 CDIDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000217636422 539072893 /nfs/dbraw/zinc/07/28/93/539072893.db2.gz QAXLTAGRHDNYQR-BPUTZDHNSA-N 3 1 265.445 1.933 20 70 CDIDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000217636422 539072894 /nfs/dbraw/zinc/07/28/94/539072894.db2.gz QAXLTAGRHDNYQR-BPUTZDHNSA-N 3 1 265.445 1.933 20 70 CDIDMP CC(=O)NC[C@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000159780271 363298005 /nfs/dbraw/zinc/29/80/05/363298005.db2.gz CIXZDRARLHUBLD-MRXNPFEDSA-N 2 1 292.427 1.820 20 70 CDIDMP CC(=O)NC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000159780271 363298009 /nfs/dbraw/zinc/29/80/09/363298009.db2.gz CIXZDRARLHUBLD-MRXNPFEDSA-N 2 1 292.427 1.820 20 70 CDIDMP CC(=O)NC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000159780271 363298015 /nfs/dbraw/zinc/29/80/15/363298015.db2.gz CIXZDRARLHUBLD-MRXNPFEDSA-N 2 1 292.427 1.820 20 70 CDIDMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC2CC2)CC1 ZINC000161435359 523848518 /nfs/dbraw/zinc/84/85/18/523848518.db2.gz ZXUICRVSFPZWFZ-HNNXBMFYSA-N 2 1 251.418 1.498 20 70 CDIDMP c1ncn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000160981073 526618262 /nfs/dbraw/zinc/61/82/62/526618262.db2.gz ZNYVQSKCKCYFRL-OAHLLOKOSA-N 2 1 277.416 1.791 20 70 CDIDMP c1ncn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000160981073 526618265 /nfs/dbraw/zinc/61/82/65/526618265.db2.gz ZNYVQSKCKCYFRL-OAHLLOKOSA-N 2 1 277.416 1.791 20 70 CDIDMP CC[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)[NH+]1CCCC1 ZINC000161273528 391586526 /nfs/dbraw/zinc/58/65/26/391586526.db2.gz UWCGIEJJZVKYJP-UYSNPLJNSA-N 2 1 281.444 1.898 20 70 CDIDMP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000160356291 363833194 /nfs/dbraw/zinc/83/31/94/363833194.db2.gz XSAQWVNGLZURDG-AWEZNQCLSA-N 2 1 299.459 1.143 20 70 CDIDMP C[C@@H](CNCc1cnc(N(C)C)n1C)[N@H+](C)C1CC1 ZINC000217533869 140163522 /nfs/dbraw/zinc/16/35/22/140163522.db2.gz XPBDCZMAZCIWIA-NSHDSACASA-N 2 1 265.405 1.058 20 70 CDIDMP C[C@@H](CNCc1cnc(N(C)C)n1C)[N@@H+](C)C1CC1 ZINC000217533869 140163523 /nfs/dbraw/zinc/16/35/23/140163523.db2.gz XPBDCZMAZCIWIA-NSHDSACASA-N 2 1 265.405 1.058 20 70 CDIDMP C[N@H+](CCC[NH+]1CCCCC1)CCN1CCCC1=O ZINC000161093101 362585879 /nfs/dbraw/zinc/58/58/79/362585879.db2.gz SCBKBGRYXJDWKO-UHFFFAOYSA-N 2 1 267.417 1.417 20 70 CDIDMP C[N@@H+](CCC[NH+]1CCCCC1)CCN1CCCC1=O ZINC000161093101 362585880 /nfs/dbraw/zinc/58/58/80/362585880.db2.gz SCBKBGRYXJDWKO-UHFFFAOYSA-N 2 1 267.417 1.417 20 70 CDIDMP C[N@@H+](CC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC000159868179 363385819 /nfs/dbraw/zinc/38/58/19/363385819.db2.gz NRLDVFGBKJQGDF-AWEZNQCLSA-N 2 1 299.484 1.416 20 70 CDIDMP CC(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161298818 519670772 /nfs/dbraw/zinc/67/07/72/519670772.db2.gz OHRQDKQXLYACEF-INIZCTEOSA-N 2 1 281.444 1.711 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000159885754 539114984 /nfs/dbraw/zinc/11/49/84/539114984.db2.gz MKGKLDLMFYWUJO-HNNXBMFYSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000159885754 539114985 /nfs/dbraw/zinc/11/49/85/539114985.db2.gz MKGKLDLMFYWUJO-HNNXBMFYSA-N 2 1 294.443 1.208 20 70 CDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000159885754 539114986 /nfs/dbraw/zinc/11/49/86/539114986.db2.gz MKGKLDLMFYWUJO-HNNXBMFYSA-N 2 1 294.443 1.208 20 70 CDIDMP CCC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000218612997 392975787 /nfs/dbraw/zinc/97/57/87/392975787.db2.gz AIFCWAQGFYBYMH-HUUCEWRRSA-N 2 1 295.471 1.955 20 70 CDIDMP CCC[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000218612997 392975793 /nfs/dbraw/zinc/97/57/93/392975793.db2.gz AIFCWAQGFYBYMH-HUUCEWRRSA-N 2 1 295.471 1.955 20 70 CDIDMP CC[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000217435756 276131444 /nfs/dbraw/zinc/13/14/44/276131444.db2.gz YLEOUDBONFGEMA-XHSDSOJGSA-N 2 1 265.445 1.981 20 70 CDIDMP CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000217435756 276131446 /nfs/dbraw/zinc/13/14/46/276131446.db2.gz YLEOUDBONFGEMA-XHSDSOJGSA-N 2 1 265.445 1.981 20 70 CDIDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000159752642 292768052 /nfs/dbraw/zinc/76/80/52/292768052.db2.gz KGOZGXHBHQHFPW-UHFFFAOYSA-N 2 1 278.400 1.559 20 70 CDIDMP COC(=O)[C@@H](O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161446232 523643362 /nfs/dbraw/zinc/64/33/62/523643362.db2.gz GUIGOSCFPJHGCZ-HNNXBMFYSA-N 2 1 298.427 1.108 20 70 CDIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160681849 525434188 /nfs/dbraw/zinc/43/41/88/525434188.db2.gz VEHVEKVQMIMVAQ-RBSFLKMASA-N 2 1 270.417 1.238 20 70 CDIDMP C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000160620755 364382102 /nfs/dbraw/zinc/38/21/02/364382102.db2.gz PNTVZSPYLTWFRL-KBPBESRZSA-N 2 1 261.369 1.110 20 70 CDIDMP CC[NH+](CC)CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159614403 292763357 /nfs/dbraw/zinc/76/33/57/292763357.db2.gz HMFVQLMHVUTNRN-UHFFFAOYSA-N 2 1 299.459 1.145 20 70 CDIDMP CCCn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160089897 482781386 /nfs/dbraw/zinc/78/13/86/482781386.db2.gz WEZQXXFOZSZMHM-ZDUSSCGKSA-N 2 1 262.401 1.867 20 70 CDIDMP CCCn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160089897 482781391 /nfs/dbraw/zinc/78/13/91/482781391.db2.gz WEZQXXFOZSZMHM-ZDUSSCGKSA-N 2 1 262.401 1.867 20 70 CDIDMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160808883 521664807 /nfs/dbraw/zinc/66/48/07/521664807.db2.gz GMAIIGGBYRJARS-AWEZNQCLSA-N 2 1 294.443 1.350 20 70 CDIDMP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160808883 521664810 /nfs/dbraw/zinc/66/48/10/521664810.db2.gz GMAIIGGBYRJARS-AWEZNQCLSA-N 2 1 294.443 1.350 20 70 CDIDMP CC(=O)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161303466 539117550 /nfs/dbraw/zinc/11/75/50/539117550.db2.gz HCYPCMKYFVGBAL-UHFFFAOYSA-N 2 1 267.417 1.463 20 70 CDIDMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(N)=O ZINC000160067509 364302809 /nfs/dbraw/zinc/30/28/09/364302809.db2.gz GEGRQVKOYRKDHU-ZDUSSCGKSA-N 2 1 290.411 1.494 20 70 CDIDMP CCC([NH3+])(CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000160475899 377069647 /nfs/dbraw/zinc/06/96/47/377069647.db2.gz MEXDUQMEWVLFRT-CQSZACIVSA-N 2 1 277.412 1.923 20 70 CDIDMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160289823 391658685 /nfs/dbraw/zinc/65/86/85/391658685.db2.gz KVZDMONUKKDIEH-ZIAGYGMSSA-N 2 1 261.369 1.239 20 70 CDIDMP CC[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000161264987 523494177 /nfs/dbraw/zinc/49/41/77/523494177.db2.gz KCXCCCARCCCVJH-CABCVRRESA-N 2 1 254.418 1.955 20 70 CDIDMP C[C@H](O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161446774 364494042 /nfs/dbraw/zinc/49/40/42/364494042.db2.gz AMCIESTZLZTAOB-GJZGRUSLSA-N 2 1 254.418 1.955 20 70 CDIDMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160294014 528368904 /nfs/dbraw/zinc/36/89/04/528368904.db2.gz UUEYPDSGLCESKB-LBPRGKRZSA-N 2 1 264.373 1.346 20 70 CDIDMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2c1OCO2 ZINC000159989533 361991386 /nfs/dbraw/zinc/99/13/86/361991386.db2.gz TUQORLCHXFQTEH-UHFFFAOYSA-N 2 1 280.368 1.841 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000159519047 361726456 /nfs/dbraw/zinc/72/64/56/361726456.db2.gz FXGWEUMEOJFHDM-UHFFFAOYSA-N 2 1 298.475 1.842 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000159699208 276366810 /nfs/dbraw/zinc/36/68/10/276366810.db2.gz QBYKWQNPQXPYET-HNNXBMFYSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160737821 288039045 /nfs/dbraw/zinc/03/90/45/288039045.db2.gz WGZPWJBPIMHFOQ-XHSDSOJGSA-N 2 1 284.444 1.628 20 70 CDIDMP C[N@H+](CCC[NH+]1CCCCC1)CCN1CCOCC1 ZINC000160891862 362534896 /nfs/dbraw/zinc/53/48/96/362534896.db2.gz AGNOXIDXCXKSMJ-UHFFFAOYSA-N 2 1 269.433 1.126 20 70 CDIDMP C[N@@H+](CCC[NH+]1CCCCC1)CCN1CCOCC1 ZINC000160891862 362534903 /nfs/dbraw/zinc/53/49/03/362534903.db2.gz AGNOXIDXCXKSMJ-UHFFFAOYSA-N 2 1 269.433 1.126 20 70 CDIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160210092 363758260 /nfs/dbraw/zinc/75/82/60/363758260.db2.gz ZKXXBQQVKRXHSM-HLLBOEOZSA-N 3 1 296.503 1.331 20 70 CDIDMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160210092 363758263 /nfs/dbraw/zinc/75/82/63/363758263.db2.gz ZKXXBQQVKRXHSM-HLLBOEOZSA-N 2 1 296.503 1.331 20 70 CDIDMP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217805017 367258300 /nfs/dbraw/zinc/25/83/00/367258300.db2.gz JTMJAEMSBATRFM-GJZGRUSLSA-N 2 1 273.380 1.502 20 70 CDIDMP CCC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000218611990 392975225 /nfs/dbraw/zinc/97/52/25/392975225.db2.gz CUMLNQHMVSNEFY-KBPBESRZSA-N 2 1 297.443 1.086 20 70 CDIDMP CCC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000218611990 392975231 /nfs/dbraw/zinc/97/52/31/392975231.db2.gz CUMLNQHMVSNEFY-KBPBESRZSA-N 2 1 297.443 1.086 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000159825286 279285377 /nfs/dbraw/zinc/28/53/77/279285377.db2.gz WSTNITCXDYPFEL-UHFFFAOYSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000159825286 279285378 /nfs/dbraw/zinc/28/53/78/279285378.db2.gz WSTNITCXDYPFEL-UHFFFAOYSA-N 2 1 296.459 1.598 20 70 CDIDMP CC[NH+]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000159825286 279285380 /nfs/dbraw/zinc/28/53/80/279285380.db2.gz WSTNITCXDYPFEL-UHFFFAOYSA-N 2 1 296.459 1.598 20 70 CDIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000159525424 528896610 /nfs/dbraw/zinc/89/66/10/528896610.db2.gz MWRHETPGDLQJCI-UONOGXRCSA-N 2 1 296.459 1.593 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000159699069 285210044 /nfs/dbraw/zinc/21/00/44/285210044.db2.gz QBYKWQNPQXPYET-OAHLLOKOSA-N 2 1 296.459 1.456 20 70 CDIDMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000161090431 276173481 /nfs/dbraw/zinc/17/34/81/276173481.db2.gz XYDYKODGINUVCN-OLZOCXBDSA-N 2 1 255.406 1.173 20 70 CDIDMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159920190 361939813 /nfs/dbraw/zinc/93/98/13/361939813.db2.gz GYIKFZONMQDOBN-XHSDSOJGSA-N 2 1 287.407 1.642 20 70 CDIDMP COCCOCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159903617 237160131 /nfs/dbraw/zinc/16/01/31/237160131.db2.gz OXZAKOFFHPQWAV-HUUCEWRRSA-N 2 1 270.417 1.646 20 70 CDIDMP COc1ccccc1C[N@@H+](CCO)CCn1ccnc1 ZINC000159805814 364266598 /nfs/dbraw/zinc/26/65/98/364266598.db2.gz JQCUWWSMHHSKNC-UHFFFAOYSA-N 2 1 275.352 1.386 20 70 CDIDMP C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000160620574 364382729 /nfs/dbraw/zinc/38/27/29/364382729.db2.gz PNTVZSPYLTWFRL-UONOGXRCSA-N 2 1 261.369 1.110 20 70 CDIDMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000161181250 276366340 /nfs/dbraw/zinc/36/63/40/276366340.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 2 1 253.434 1.791 20 70 CDIDMP CC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000161181250 276366341 /nfs/dbraw/zinc/36/63/41/276366341.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 2 1 253.434 1.791 20 70 CDIDMP CC[NH+]1CCCC[C@H]1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000161181250 276366343 /nfs/dbraw/zinc/36/63/43/276366343.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 2 1 253.434 1.791 20 70 CDIDMP CCN1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000161181250 276366344 /nfs/dbraw/zinc/36/63/44/276366344.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 2 1 253.434 1.791 20 70 CDIDMP CCN1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000161181250 276366345 /nfs/dbraw/zinc/36/63/45/276366345.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 2 1 253.434 1.791 20 70 CDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000159528302 361730355 /nfs/dbraw/zinc/73/03/55/361730355.db2.gz GQTUNNLPFVKFTE-UHFFFAOYSA-N 2 1 296.459 1.596 20 70 CDIDMP