smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000116787415 282138329 /nfs/dbraw/zinc/13/83/29/282138329.db2.gz QBCQFWYEVOMQKG-JKSUJKDBSA-N 2 1 305.422 1.078 10 0 DDAEMP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832355 185266629 /nfs/dbraw/zinc/26/66/29/185266629.db2.gz YPNDJJZDQYCFMK-LBPRGKRZSA-N 2 1 309.376 1.991 10 0 DDAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832355 185266630 /nfs/dbraw/zinc/26/66/30/185266630.db2.gz YPNDJJZDQYCFMK-LBPRGKRZSA-N 2 1 309.376 1.991 10 0 DDAEMP COCC[NH2+]Cc1sc(N(C)C[C@H]2CCC[N@H+]2C)nc1C ZINC000092677789 185333545 /nfs/dbraw/zinc/33/35/45/185333545.db2.gz WFLNJSAXWSRGAO-CYBMUJFWSA-N 2 1 312.483 1.718 10 0 DDAEMP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000092954297 185350426 /nfs/dbraw/zinc/35/04/26/185350426.db2.gz QPPZGEMQHRRPHB-HIFRSBDPSA-N 2 1 307.463 1.780 10 0 DDAEMP C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237449149 186290915 /nfs/dbraw/zinc/29/09/15/186290915.db2.gz IIHZDMUFTDIKGF-PBHICJAKSA-N 2 1 301.434 1.773 10 0 DDAEMP CC[C@H](CC[NH3+])[N@@H+]1CCCN(S(=O)(=O)CC(C)C)CC1 ZINC000080185671 192010437 /nfs/dbraw/zinc/01/04/37/192010437.db2.gz JIADJJKBHDVNLT-CQSZACIVSA-N 2 1 305.488 1.107 10 0 DDAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(S(=O)(=O)CC(C)C)CC1 ZINC000080185671 192010440 /nfs/dbraw/zinc/01/04/40/192010440.db2.gz JIADJJKBHDVNLT-CQSZACIVSA-N 2 1 305.488 1.107 10 0 DDAEMP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720613 193097381 /nfs/dbraw/zinc/09/73/81/193097381.db2.gz KOXYKFTVENCANA-DYEKYZERSA-N 2 1 312.845 1.598 10 0 DDAEMP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720613 193097382 /nfs/dbraw/zinc/09/73/82/193097382.db2.gz KOXYKFTVENCANA-DYEKYZERSA-N 2 1 312.845 1.598 10 0 DDAEMP CC[N@H+](Cc1cc(=O)n2ccsc2n1)CC1CC[NH2+]CC1 ZINC000094025172 193339669 /nfs/dbraw/zinc/33/96/69/193339669.db2.gz GXHAYYNEPDSANN-UHFFFAOYSA-N 2 1 306.435 1.578 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@@H]1CC[C@](CO)([NH2+]C(C)C)C1 ZINC000093856802 193319340 /nfs/dbraw/zinc/31/93/40/193319340.db2.gz KZMOZAMNSBVLKH-CVEARBPZSA-N 2 1 302.459 1.253 10 0 DDAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094011846 193338831 /nfs/dbraw/zinc/33/88/31/193338831.db2.gz DKWMIHMIKRGSSM-GJZGRUSLSA-N 2 1 302.484 1.664 10 0 DDAEMP CC1(C)CSC[C@@H]([N@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000094490236 193373151 /nfs/dbraw/zinc/37/31/51/193373151.db2.gz NSHLWSNFWPVXOJ-UONOGXRCSA-N 2 1 311.495 1.414 10 0 DDAEMP CC1(C)CSC[C@@](C[NH3+])([N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489556 193373364 /nfs/dbraw/zinc/37/33/64/193373364.db2.gz YIRXUAHUSRTQRS-GOEBONIOSA-N 2 1 313.511 1.254 10 0 DDAEMP CC1(C)CSC[C@@](C[NH3+])([N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489556 193373366 /nfs/dbraw/zinc/37/33/66/193373366.db2.gz YIRXUAHUSRTQRS-GOEBONIOSA-N 2 1 313.511 1.254 10 0 DDAEMP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000333728629 249084443 /nfs/dbraw/zinc/08/44/43/249084443.db2.gz HMOVFOSSKPUVSW-VNQPRFMTSA-N 2 1 308.470 1.772 10 0 DDAEMP CC[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000043014501 183328000 /nfs/dbraw/zinc/32/80/00/183328000.db2.gz KHVCMLXJLBCQOD-CVEARBPZSA-N 2 1 311.857 1.728 10 0 DDAEMP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCN(C)C)C(=O)OCC ZINC000111144989 194395576 /nfs/dbraw/zinc/39/55/76/194395576.db2.gz KFZHRWCBZSINGZ-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCN(C)C)C(=O)OCC ZINC000111144989 194395579 /nfs/dbraw/zinc/39/55/79/194395579.db2.gz KFZHRWCBZSINGZ-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CCOC(=O)[C@](C)([NH3+])CCCC[N@@H+](C)CC1CCOCC1 ZINC000111170022 194398661 /nfs/dbraw/zinc/39/86/61/194398661.db2.gz KWSWHUNUWQUPOQ-MRXNPFEDSA-N 2 1 300.443 1.796 10 0 DDAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638300964 422813472 /nfs/dbraw/zinc/81/34/72/422813472.db2.gz IIENKJFEBNQKNK-UWWQBHOKSA-N 2 1 319.449 1.390 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000123442312 407329223 /nfs/dbraw/zinc/32/92/23/407329223.db2.gz PTEGKTKFSUSESM-ZBFHGGJFSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000152421462 407634091 /nfs/dbraw/zinc/63/40/91/407634091.db2.gz SQULVPHWGZEBMT-CVEARBPZSA-N 2 1 310.486 1.842 10 0 DDAEMP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261871957 407651587 /nfs/dbraw/zinc/65/15/87/407651587.db2.gz DHBHOZPJNWLJIW-BRWVUGGUSA-N 2 1 308.397 1.951 10 0 DDAEMP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261885302 407653279 /nfs/dbraw/zinc/65/32/79/407653279.db2.gz FTHIZJHULUOLCO-RBSFLKMASA-N 2 1 309.479 1.995 10 0 DDAEMP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261936108 407678307 /nfs/dbraw/zinc/67/83/07/407678307.db2.gz MGNVQNQDYACGIR-BBWFWOEESA-N 2 1 308.397 1.951 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171614427 407720303 /nfs/dbraw/zinc/72/03/03/407720303.db2.gz KZTVISGQZHNSFF-IAGOWNOFSA-N 2 1 301.434 1.466 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171614427 407720305 /nfs/dbraw/zinc/72/03/05/407720305.db2.gz KZTVISGQZHNSFF-IAGOWNOFSA-N 2 1 301.434 1.466 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262251326 407775599 /nfs/dbraw/zinc/77/55/99/407775599.db2.gz QCWYPXBZOVOBDC-OAHLLOKOSA-N 2 1 315.421 1.625 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262251326 407775609 /nfs/dbraw/zinc/77/56/09/407775609.db2.gz QCWYPXBZOVOBDC-OAHLLOKOSA-N 2 1 315.421 1.625 10 0 DDAEMP CC[N@@H+](C)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116784974 407777238 /nfs/dbraw/zinc/77/72/38/407777238.db2.gz DYXITTRSCWGIEQ-SJORKVTESA-N 2 1 319.449 1.468 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357316 407809438 /nfs/dbraw/zinc/80/94/38/407809438.db2.gz VDQODQABHPKMBK-GMZPSASASA-N 2 1 305.466 1.835 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000262729017 407909898 /nfs/dbraw/zinc/90/98/98/407909898.db2.gz BGTXMWRJMGORIJ-BFYDXBDKSA-N 2 1 311.470 1.463 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262473174 407845888 /nfs/dbraw/zinc/84/58/88/407845888.db2.gz JKBVCWPBLUCOAZ-YUTCNCBUSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262473174 407845895 /nfs/dbraw/zinc/84/58/95/407845895.db2.gz JKBVCWPBLUCOAZ-YUTCNCBUSA-N 2 1 306.406 1.882 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc(C)c1OC(F)F ZINC000263191544 408054147 /nfs/dbraw/zinc/05/41/47/408054147.db2.gz HYGBFZUYGDLTMX-CHWSQXEVSA-N 2 1 300.349 1.575 10 0 DDAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000175742189 408192096 /nfs/dbraw/zinc/19/20/96/408192096.db2.gz HRIROBZTJPMMPP-HZPDHXFCSA-N 2 1 309.454 1.086 10 0 DDAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3C=CCCC3)CC2)C1 ZINC000246263079 408197892 /nfs/dbraw/zinc/19/78/92/408197892.db2.gz OVOCKYIMYVNKMM-MSOLQXFVSA-N 2 1 307.482 1.822 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000176174262 408301217 /nfs/dbraw/zinc/30/12/17/408301217.db2.gz NKVRVFBCIMSEEB-HZPDHXFCSA-N 2 1 319.453 1.707 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000176174262 408301224 /nfs/dbraw/zinc/30/12/24/408301224.db2.gz NKVRVFBCIMSEEB-HZPDHXFCSA-N 2 1 319.453 1.707 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247336996 408455539 /nfs/dbraw/zinc/45/55/39/408455539.db2.gz NGSVKPKYOROZMK-UGUYLWEFSA-N 2 1 310.486 1.887 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247560277 408493129 /nfs/dbraw/zinc/49/31/29/408493129.db2.gz ZYWUQOQPSLPDCQ-BBRMVZONSA-N 2 1 306.454 1.491 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000247440254 408469577 /nfs/dbraw/zinc/46/95/77/408469577.db2.gz RYFUEWKUAXYIKV-CTASWTNQSA-N 2 1 308.470 1.640 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000247440254 408469581 /nfs/dbraw/zinc/46/95/81/408469581.db2.gz RYFUEWKUAXYIKV-CTASWTNQSA-N 2 1 308.470 1.640 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000247440254 408469587 /nfs/dbraw/zinc/46/95/87/408469587.db2.gz RYFUEWKUAXYIKV-CTASWTNQSA-N 2 1 308.470 1.640 10 0 DDAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)C1(C)C ZINC000249098180 408687364 /nfs/dbraw/zinc/68/73/64/408687364.db2.gz JATJXXYSYVQCRT-VBQJREDUSA-N 2 1 311.470 1.462 10 0 DDAEMP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178284484 408798144 /nfs/dbraw/zinc/79/81/44/408798144.db2.gz MXNGMTCECKKHCY-DZGCQCFKSA-N 2 1 308.426 1.197 10 0 DDAEMP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178284484 408798147 /nfs/dbraw/zinc/79/81/47/408798147.db2.gz MXNGMTCECKKHCY-DZGCQCFKSA-N 2 1 308.426 1.197 10 0 DDAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000178328019 408805686 /nfs/dbraw/zinc/80/56/86/408805686.db2.gz PQENNKBILUNHRO-HOTGVXAUSA-N 2 1 319.405 1.827 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836198 423148366 /nfs/dbraw/zinc/14/83/66/423148366.db2.gz RLRTVBBBCHJRLB-UAGQMJEPSA-N 2 1 303.450 1.998 10 0 DDAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648814 422532695 /nfs/dbraw/zinc/53/26/95/422532695.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@@H]1CC[NH+](C)C1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648814 422532697 /nfs/dbraw/zinc/53/26/97/422532697.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@@H]1CC[NH+](C)C1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648814 422532700 /nfs/dbraw/zinc/53/27/00/422532700.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 2 1 317.477 1.507 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000247057029 278395744 /nfs/dbraw/zinc/39/57/44/278395744.db2.gz FQARZZRFLWBRHC-RHSMWYFYSA-N 2 1 319.449 1.238 10 0 DDAEMP COC[C@]1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551144 293272745 /nfs/dbraw/zinc/27/27/45/293272745.db2.gz QESUCFUKCULGQS-QAPCUYQASA-N 2 1 319.449 1.249 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000157921909 519694703 /nfs/dbraw/zinc/69/47/03/519694703.db2.gz DCHPZJAXPKNRPG-JKSUJKDBSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000907558663 712594768 /nfs/dbraw/zinc/59/47/68/712594768.db2.gz HWJJRBHTGOGPHK-HUUCEWRRSA-N 2 1 304.438 1.684 10 0 DDAEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000907558663 712594769 /nfs/dbraw/zinc/59/47/69/712594769.db2.gz HWJJRBHTGOGPHK-HUUCEWRRSA-N 2 1 304.438 1.684 10 0 DDAEMP C[N@@H+](CCC[C@H](CC[NH3+])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079295537 185163694 /nfs/dbraw/zinc/16/36/94/185163694.db2.gz UYYUFPHAJFCJLX-ZIAGYGMSSA-N 2 1 304.500 1.897 10 0 DDAEMP C[C@@]1(C[NH2+]Cc2sccc2Br)COC[C@H]1[NH3+] ZINC000087576089 185228780 /nfs/dbraw/zinc/22/87/80/185228780.db2.gz NZBRNFLNASZVPQ-GHMZBOCLSA-N 2 1 305.241 1.964 10 0 DDAEMP [NH3+]CCC[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586143 192297782 /nfs/dbraw/zinc/29/77/82/192297782.db2.gz SLYKKPAHPZSXHX-UHFFFAOYSA-N 2 1 303.332 1.356 10 0 DDAEMP CC[N@@H+](Cc1cc(=O)n2ncsc2n1)C1CCC([NH3+])CC1 ZINC000091850904 193117528 /nfs/dbraw/zinc/11/75/28/193117528.db2.gz VBGYWCYTKKGFGP-UHFFFAOYSA-N 2 1 307.423 1.243 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262021181 203175444 /nfs/dbraw/zinc/17/54/44/203175444.db2.gz AKYXLIJQCXMKKS-DOTOQJQBSA-N 2 1 317.433 1.098 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262021181 203175447 /nfs/dbraw/zinc/17/54/47/203175447.db2.gz AKYXLIJQCXMKKS-DOTOQJQBSA-N 2 1 317.433 1.098 10 0 DDAEMP CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634613 193385997 /nfs/dbraw/zinc/38/59/97/193385997.db2.gz PVUPVRUYUAFXGI-GJZGRUSLSA-N 2 1 302.484 1.936 10 0 DDAEMP CS(=O)(=O)[C@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634613 193385999 /nfs/dbraw/zinc/38/59/99/193385999.db2.gz PVUPVRUYUAFXGI-GJZGRUSLSA-N 2 1 302.484 1.936 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000105862191 194149050 /nfs/dbraw/zinc/14/90/50/194149050.db2.gz LHNAKHSFKVDJEQ-OAHLLOKOSA-N 2 1 319.449 1.650 10 0 DDAEMP [NH3+]Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000110389723 194327138 /nfs/dbraw/zinc/32/71/38/194327138.db2.gz DYJGXUONYORYGL-LLVKDONJSA-N 2 1 315.464 1.066 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262295595 285225282 /nfs/dbraw/zinc/22/52/82/285225282.db2.gz NISNHZZRJLXLKH-RHSMWYFYSA-N 2 1 319.449 1.651 10 0 DDAEMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H](C)O)CC2)c1C ZINC000171632158 407727292 /nfs/dbraw/zinc/72/72/92/407727292.db2.gz MOKOAHVAWITYKC-AWEZNQCLSA-N 2 1 321.465 1.984 10 0 DDAEMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H](C)O)CC2)c1C ZINC000171632158 407727294 /nfs/dbraw/zinc/72/72/94/407727294.db2.gz MOKOAHVAWITYKC-AWEZNQCLSA-N 2 1 321.465 1.984 10 0 DDAEMP CCO[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218095 407765262 /nfs/dbraw/zinc/76/52/62/407765262.db2.gz UHXSDXUAJBRLOV-HOTGVXAUSA-N 2 1 323.481 1.478 10 0 DDAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1OC ZINC000262466160 407842815 /nfs/dbraw/zinc/84/28/15/407842815.db2.gz IXIIPGRKASIBIT-YUTCNCBUSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1OC ZINC000262466160 407842823 /nfs/dbraw/zinc/84/28/23/407842823.db2.gz IXIIPGRKASIBIT-YUTCNCBUSA-N 2 1 306.406 1.882 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1Oc1cccnc1 ZINC000263262167 408082084 /nfs/dbraw/zinc/08/20/84/408082084.db2.gz RBRQPQPIZPVTAK-WBVHZDCISA-N 2 1 313.401 1.852 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc(C)c1OC(F)F ZINC000263191547 408054328 /nfs/dbraw/zinc/05/43/28/408054328.db2.gz HYGBFZUYGDLTMX-OLZOCXBDSA-N 2 1 300.349 1.575 10 0 DDAEMP CCn1cc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)cn1 ZINC000121198258 408160036 /nfs/dbraw/zinc/16/00/36/408160036.db2.gz VTZYUWKJNKXWJP-UHFFFAOYSA-N 2 1 316.453 1.696 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246238520 408188120 /nfs/dbraw/zinc/18/81/20/408188120.db2.gz INQVKKZZIGABFN-DLTWYDFYSA-N 2 1 319.449 1.236 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246238520 408188123 /nfs/dbraw/zinc/18/81/23/408188123.db2.gz INQVKKZZIGABFN-DLTWYDFYSA-N 2 1 319.449 1.236 10 0 DDAEMP c1cnnc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000246278164 408200591 /nfs/dbraw/zinc/20/05/91/408200591.db2.gz BGZLWJFMASFQOQ-JYJNAYRXSA-N 2 1 301.438 1.662 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246355300 408230157 /nfs/dbraw/zinc/23/01/57/408230157.db2.gz PNPOTTBSUYOBRZ-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246355300 408230167 /nfs/dbraw/zinc/23/01/67/408230167.db2.gz PNPOTTBSUYOBRZ-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246355300 408230179 /nfs/dbraw/zinc/23/01/79/408230179.db2.gz PNPOTTBSUYOBRZ-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588798 162227519 /nfs/dbraw/zinc/22/75/19/162227519.db2.gz VPUQEQSMCOWRHI-HUUCEWRRSA-N 2 1 313.486 1.268 10 0 DDAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@@H+]1C ZINC000252646357 408806293 /nfs/dbraw/zinc/80/62/93/408806293.db2.gz GHYNOPJBSUCGNN-BPQIPLTHSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@H+]1C ZINC000252646357 408806296 /nfs/dbraw/zinc/80/62/96/408806296.db2.gz GHYNOPJBSUCGNN-BPQIPLTHSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1C ZINC000252646357 408806302 /nfs/dbraw/zinc/80/63/02/408806302.db2.gz GHYNOPJBSUCGNN-BPQIPLTHSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1C ZINC000252646357 408806303 /nfs/dbraw/zinc/80/63/03/408806303.db2.gz GHYNOPJBSUCGNN-BPQIPLTHSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638835624 423150025 /nfs/dbraw/zinc/15/00/25/423150025.db2.gz NASLVVLDNBLIHQ-XYVMCAHJSA-N 2 1 315.461 1.726 10 0 DDAEMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000299739858 229374856 /nfs/dbraw/zinc/37/48/56/229374856.db2.gz SJLWIILEGDEYRW-UONOGXRCSA-N 2 1 302.353 1.497 10 0 DDAEMP C[C@@H]1C[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637933860 422487606 /nfs/dbraw/zinc/48/76/06/422487606.db2.gz KBLQLAHVUHOURS-ZBFHGGJFSA-N 2 1 301.434 1.895 10 0 DDAEMP C[C@@H](CCNC(=O)[C@H]1C[NH2+]CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000649347141 423785659 /nfs/dbraw/zinc/78/56/59/423785659.db2.gz GUYSLFPKCFVPES-RDJZCZTQSA-N 2 1 319.449 1.249 10 0 DDAEMP CCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OCCC)c1 ZINC000262072998 484261087 /nfs/dbraw/zinc/26/10/87/484261087.db2.gz CTKOYQREOFCOQP-NVXWUHKLSA-N 2 1 322.449 1.934 10 0 DDAEMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261938428 698445789 /nfs/dbraw/zinc/44/57/89/698445789.db2.gz MNNPDWFRQYKOEW-VIBAHUMZSA-N 2 1 304.434 1.987 10 0 DDAEMP COC1CC(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711736526 699259817 /nfs/dbraw/zinc/25/98/17/699259817.db2.gz FFRDQDNTROKILE-CTWPCTMYSA-N 2 1 318.461 1.980 10 0 DDAEMP COC1CC(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711736526 699259819 /nfs/dbraw/zinc/25/98/19/699259819.db2.gz FFRDQDNTROKILE-CTWPCTMYSA-N 2 1 318.461 1.980 10 0 DDAEMP COC1CC(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000711736526 699259821 /nfs/dbraw/zinc/25/98/21/699259821.db2.gz FFRDQDNTROKILE-CTWPCTMYSA-N 2 1 318.461 1.980 10 0 DDAEMP COC1CC(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000711736526 699259822 /nfs/dbraw/zinc/25/98/22/699259822.db2.gz FFRDQDNTROKILE-CTWPCTMYSA-N 2 1 318.461 1.980 10 0 DDAEMP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108681 699324965 /nfs/dbraw/zinc/32/49/65/699324965.db2.gz IQUWTFAHOFYGES-UWVGGRQHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108681 699324969 /nfs/dbraw/zinc/32/49/69/699324969.db2.gz IQUWTFAHOFYGES-UWVGGRQHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108681 699324973 /nfs/dbraw/zinc/32/49/73/699324973.db2.gz IQUWTFAHOFYGES-UWVGGRQHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108681 699324975 /nfs/dbraw/zinc/32/49/75/699324975.db2.gz IQUWTFAHOFYGES-UWVGGRQHSA-N 2 1 304.303 1.819 10 0 DDAEMP CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542606 185256488 /nfs/dbraw/zinc/25/64/88/185256488.db2.gz JFFSNOSXIXPFHN-UHFFFAOYSA-N 2 1 303.428 1.008 10 0 DDAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)NCCc1cccs1 ZINC000090338235 185291786 /nfs/dbraw/zinc/29/17/86/185291786.db2.gz REGFIWYXTAHSJM-TZMCWYRMSA-N 2 1 307.463 1.337 10 0 DDAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)NCCc1cccs1 ZINC000090338235 185291787 /nfs/dbraw/zinc/29/17/87/185291787.db2.gz REGFIWYXTAHSJM-TZMCWYRMSA-N 2 1 307.463 1.337 10 0 DDAEMP C[C@H]([NH3+])Cc1c(N(C)C[C@@H]2CCC[N@H+]2C)nc2sccn12 ZINC000092678761 185333348 /nfs/dbraw/zinc/33/33/48/185333348.db2.gz JNZJNSVRANXQHF-RYUDHWBXSA-N 2 1 307.467 1.816 10 0 DDAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1Cc2ccccc2S1 ZINC000092267680 193183176 /nfs/dbraw/zinc/18/31/76/193183176.db2.gz SAKDLFJPHZSFJA-CQSZACIVSA-N 2 1 305.447 1.067 10 0 DDAEMP C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000093486042 193258833 /nfs/dbraw/zinc/25/88/33/193258833.db2.gz VLQKHKTUMSTFHL-GXTWGEPZSA-N 2 1 311.451 1.344 10 0 DDAEMP CC[C@](C)([C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C)[NH+](C)C ZINC000093700730 193295051 /nfs/dbraw/zinc/29/50/51/193295051.db2.gz PZTPAASWPJYPKP-SOUVJXGZSA-N 2 1 319.515 1.366 10 0 DDAEMP COC(=O)c1coc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000105862767 194150668 /nfs/dbraw/zinc/15/06/68/194150668.db2.gz VERSHUXIXJBBGW-CYBMUJFWSA-N 2 1 324.421 1.591 10 0 DDAEMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000063178214 184276749 /nfs/dbraw/zinc/27/67/49/184276749.db2.gz RJNUKLIHKHUTSY-GFCCVEGCSA-N 2 1 311.813 1.333 10 0 DDAEMP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261885304 407654429 /nfs/dbraw/zinc/65/44/29/407654429.db2.gz FTHIZJHULUOLCO-RRFJBIMHSA-N 2 1 309.479 1.995 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262400172 407826674 /nfs/dbraw/zinc/82/66/74/407826674.db2.gz CEGMNMQIORKVET-NOLJZWGESA-N 2 1 305.397 1.453 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262400172 407826680 /nfs/dbraw/zinc/82/66/80/407826680.db2.gz CEGMNMQIORKVET-NOLJZWGESA-N 2 1 305.397 1.453 10 0 DDAEMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263154634 408040537 /nfs/dbraw/zinc/04/05/37/408040537.db2.gz DIBYMICPZQRFOA-YOEHRIQHSA-N 2 1 300.406 1.159 10 0 DDAEMP COCc1nc(CN2CC[C@H](CNc3cccc(C)n3)C2)no1 ZINC000182498062 408178156 /nfs/dbraw/zinc/17/81/56/408178156.db2.gz VHIKVUAHDXGINQ-CYBMUJFWSA-N 2 1 317.393 1.853 10 0 DDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CC ZINC000246418863 408250979 /nfs/dbraw/zinc/25/09/79/408250979.db2.gz SKELMFRWQGYWPU-JYJNAYRXSA-N 2 1 310.486 1.985 10 0 DDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246418863 408250982 /nfs/dbraw/zinc/25/09/82/408250982.db2.gz SKELMFRWQGYWPU-JYJNAYRXSA-N 2 1 310.486 1.985 10 0 DDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246418863 408250986 /nfs/dbraw/zinc/25/09/86/408250986.db2.gz SKELMFRWQGYWPU-JYJNAYRXSA-N 2 1 310.486 1.985 10 0 DDAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190603141 408288407 /nfs/dbraw/zinc/28/84/07/408288407.db2.gz IQKHYHAESCLARZ-QGZVFWFLSA-N 2 1 318.465 1.702 10 0 DDAEMP CC(C)[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190603141 408288412 /nfs/dbraw/zinc/28/84/12/408288412.db2.gz IQKHYHAESCLARZ-QGZVFWFLSA-N 2 1 318.465 1.702 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)COC(C)C)C2)n1 ZINC000249910196 408771410 /nfs/dbraw/zinc/77/14/10/408771410.db2.gz VUBBHDIYRVRDHB-HZPDHXFCSA-N 2 1 307.438 1.910 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)COC(C)C)C2)[nH+]1 ZINC000249910196 408771414 /nfs/dbraw/zinc/77/14/14/408771414.db2.gz VUBBHDIYRVRDHB-HZPDHXFCSA-N 2 1 307.438 1.910 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)COC(C)C)C2)[nH+]1 ZINC000249910196 408771419 /nfs/dbraw/zinc/77/14/19/408771419.db2.gz VUBBHDIYRVRDHB-HZPDHXFCSA-N 2 1 307.438 1.910 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638079931 422643236 /nfs/dbraw/zinc/64/32/36/422643236.db2.gz JVUMKKDAVPZIOW-USXIJHARSA-N 2 1 319.449 1.520 10 0 DDAEMP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000261928148 281244541 /nfs/dbraw/zinc/24/45/41/281244541.db2.gz LJJCNUKOOMKYNJ-BZUAXINKSA-N 2 1 304.438 1.549 10 0 DDAEMP C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400332069 302368896 /nfs/dbraw/zinc/36/88/96/302368896.db2.gz FCXBFXGFOWGKEY-MJGOQNOKSA-N 2 1 316.493 1.392 10 0 DDAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261789280 484256793 /nfs/dbraw/zinc/25/67/93/484256793.db2.gz QBHUJKSNSIERGD-RBSFLKMASA-N 2 1 304.438 1.984 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000156749455 519690856 /nfs/dbraw/zinc/69/08/56/519690856.db2.gz NAWUYTTUHGNFLA-CJNGLKHVSA-N 2 1 308.470 1.641 10 0 DDAEMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261877196 698442354 /nfs/dbraw/zinc/44/23/54/698442354.db2.gz DUFZMLJKYTWWPN-BRSBDYLESA-N 2 1 304.434 1.775 10 0 DDAEMP CC[C@@H](CO)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000181723230 539238323 /nfs/dbraw/zinc/23/83/23/539238323.db2.gz BIIVHALDQFVDFL-SFHVURJKSA-N 2 1 323.456 1.646 10 0 DDAEMP CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)o1 ZINC000088542441 185256214 /nfs/dbraw/zinc/25/62/14/185256214.db2.gz TWNKZUGCSWSZIA-LBPRGKRZSA-N 2 1 315.439 1.009 10 0 DDAEMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000092626675 185329717 /nfs/dbraw/zinc/32/97/17/185329717.db2.gz XTWSSGPFMKOCEA-HNNXBMFYSA-N 2 1 311.451 1.001 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000092632505 185330556 /nfs/dbraw/zinc/33/05/56/185330556.db2.gz YJULUDKBRNZJCL-HNNXBMFYSA-N 2 1 317.499 1.122 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246772864 354361945 /nfs/dbraw/zinc/36/19/45/354361945.db2.gz ROSCGAHCTDFEJK-CVEARBPZSA-N 2 1 311.470 1.380 10 0 DDAEMP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379455025 354625709 /nfs/dbraw/zinc/62/57/09/354625709.db2.gz MSXBYWWFCILLLF-IAGOWNOFSA-N 2 1 301.434 1.767 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@H]1CC[C@](CO)([NH2+]C(C)C)C1 ZINC000093856800 193319440 /nfs/dbraw/zinc/31/94/40/193319440.db2.gz KZMOZAMNSBVLKH-HOTGVXAUSA-N 2 1 302.459 1.253 10 0 DDAEMP [NH3+]CCCC[NH+]1CCN([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364427 193365654 /nfs/dbraw/zinc/36/56/54/193365654.db2.gz HNJQDSOCWSHSLP-JKSUJKDBSA-N 2 1 313.511 1.398 10 0 DDAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094384006 193368035 /nfs/dbraw/zinc/36/80/35/193368035.db2.gz LKPYARTZIIDRBL-HNNXBMFYSA-N 2 1 313.511 1.268 10 0 DDAEMP C[NH2+]CCC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872476 182250943 /nfs/dbraw/zinc/25/09/43/182250943.db2.gz MTWBISNBRGMLFC-UHFFFAOYSA-N 2 1 307.438 1.679 10 0 DDAEMP CC[C@@H](C)[N@H+](CCOC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043973180 183391043 /nfs/dbraw/zinc/39/10/43/183391043.db2.gz BZRIHUDBTXTUFM-QLFBSQMISA-N 2 1 300.443 1.617 10 0 DDAEMP CC[C@@H](C)[N@@H+](CCOC)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043973180 183391046 /nfs/dbraw/zinc/39/10/46/183391046.db2.gz BZRIHUDBTXTUFM-QLFBSQMISA-N 2 1 300.443 1.617 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000105862536 194150087 /nfs/dbraw/zinc/15/00/87/194150087.db2.gz GVJGHACRHHUJNJ-CYBMUJFWSA-N 2 1 324.469 1.892 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000105862536 194150088 /nfs/dbraw/zinc/15/00/88/194150088.db2.gz GVJGHACRHHUJNJ-CYBMUJFWSA-N 2 1 324.469 1.892 10 0 DDAEMP C[C@]1(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062895431 184258877 /nfs/dbraw/zinc/25/88/77/184258877.db2.gz QJICIHPQMXHYJT-INIZCTEOSA-N 2 1 307.463 1.782 10 0 DDAEMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CC[N@H+](C4CCC4)C3)O2)CC1 ZINC000248052394 257109862 /nfs/dbraw/zinc/10/98/62/257109862.db2.gz RNXASMGNDMXWTP-ROUUACIJSA-N 2 1 307.482 1.800 10 0 DDAEMP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CC[N@@H+](C4CCC4)C3)O2)CC1 ZINC000248052394 257109867 /nfs/dbraw/zinc/10/98/67/257109867.db2.gz RNXASMGNDMXWTP-ROUUACIJSA-N 2 1 307.482 1.800 10 0 DDAEMP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CC[N@H+](C4CCC4)C3)O2)CC1 ZINC000248052394 257109869 /nfs/dbraw/zinc/10/98/69/257109869.db2.gz RNXASMGNDMXWTP-ROUUACIJSA-N 2 1 307.482 1.800 10 0 DDAEMP COc1cc(C[N@H+]2C[C@@H]3OC[C@@H](C[NH+](C)C)[C@@H]3C2)cc(OC)c1 ZINC000247980366 257112907 /nfs/dbraw/zinc/11/29/07/257112907.db2.gz JIUCXKKBTVWHJH-JLSDUUJJSA-N 2 1 320.433 1.712 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000113615110 407519767 /nfs/dbraw/zinc/51/97/67/407519767.db2.gz RQMFXRXIPSKQQO-GOEBONIOSA-N 2 1 308.470 1.596 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000170855559 407531567 /nfs/dbraw/zinc/53/15/67/407531567.db2.gz QEVDNJCWDTVNNH-IRXDYDNUSA-N 2 1 301.434 1.814 10 0 DDAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1OC ZINC000261885440 407654870 /nfs/dbraw/zinc/65/48/70/407654870.db2.gz FVXBWDSHSQZKSH-XHSDSOJGSA-N 2 1 320.433 1.951 10 0 DDAEMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261914382 407668616 /nfs/dbraw/zinc/66/86/16/407668616.db2.gz JMHMSXOQTZWNKH-GUDVDZBRSA-N 3 1 317.477 1.995 10 0 DDAEMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261953988 407687426 /nfs/dbraw/zinc/68/74/26/407687426.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@]3(C)CC[NH2+]C3)CCCN2C)cn1 ZINC000261953988 407687429 /nfs/dbraw/zinc/68/74/29/407687429.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@]3(C)CC[NH2+]C3)CCCN2C)cn1 ZINC000261953988 407687434 /nfs/dbraw/zinc/68/74/34/407687434.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 2 1 319.497 1.734 10 0 DDAEMP CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000262000882 407708802 /nfs/dbraw/zinc/70/88/02/407708802.db2.gz UBNIHAFSZXCFKR-CQSZACIVSA-N 2 1 315.417 1.747 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262091739 407737498 /nfs/dbraw/zinc/73/74/98/407737498.db2.gz UMGSDDVPNATWNV-HIFRSBDPSA-N 2 1 311.470 1.367 10 0 DDAEMP Cc1nc([C@@H]2CCCN(Cc3noc(C[NH3+])n3)C2)sc1C ZINC000262181538 407760042 /nfs/dbraw/zinc/76/00/42/407760042.db2.gz IVAWDNDKPPWYKE-LLVKDONJSA-N 2 1 307.423 1.981 10 0 DDAEMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262509502 407854517 /nfs/dbraw/zinc/85/45/17/407854517.db2.gz MVQZGEXWURSBCV-NUEKZKHPSA-N 2 1 323.462 1.106 10 0 DDAEMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262509502 407854521 /nfs/dbraw/zinc/85/45/21/407854521.db2.gz MVQZGEXWURSBCV-NUEKZKHPSA-N 2 1 323.462 1.106 10 0 DDAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000262529718 407859272 /nfs/dbraw/zinc/85/92/72/407859272.db2.gz PKCAFOXKNOFYOV-MJBXVCDLSA-N 2 1 306.406 1.882 10 0 DDAEMP COCCCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117880152 407867390 /nfs/dbraw/zinc/86/73/90/407867390.db2.gz PSEIDLYYVJSOLU-QGZVFWFLSA-N 2 1 313.486 1.140 10 0 DDAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263097194 408024662 /nfs/dbraw/zinc/02/46/62/408024662.db2.gz YYXWEKVNRKUHTE-YUELXQCFSA-N 2 1 323.387 1.935 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246343227 408227791 /nfs/dbraw/zinc/22/77/91/408227791.db2.gz HFRJRPPCQGIHEQ-SJORKVTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246343227 408227795 /nfs/dbraw/zinc/22/77/95/408227795.db2.gz HFRJRPPCQGIHEQ-SJORKVTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246343227 408227801 /nfs/dbraw/zinc/22/78/01/408227801.db2.gz HFRJRPPCQGIHEQ-SJORKVTESA-N 2 1 322.497 1.844 10 0 DDAEMP C(CCN1CC[NH+]2CCC[C@H]2C1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172656225 162291988 /nfs/dbraw/zinc/29/19/88/162291988.db2.gz ILZOATBZKXFVPR-HDICACEKSA-N 2 1 306.498 1.327 10 0 DDAEMP C(CCN1CC[N@@H+]2CCC[C@H]2C1)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000172656225 162291989 /nfs/dbraw/zinc/29/19/89/162291989.db2.gz ILZOATBZKXFVPR-HDICACEKSA-N 2 1 306.498 1.327 10 0 DDAEMP C(CCN1CC[N@H+]2CCC[C@H]2C1)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000172656225 162291990 /nfs/dbraw/zinc/29/19/90/162291990.db2.gz ILZOATBZKXFVPR-HDICACEKSA-N 2 1 306.498 1.327 10 0 DDAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247313762 408448313 /nfs/dbraw/zinc/44/83/13/408448313.db2.gz OFQXEEQKSNBPES-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000247313762 408448319 /nfs/dbraw/zinc/44/83/19/408448319.db2.gz OFQXEEQKSNBPES-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000247313762 408448325 /nfs/dbraw/zinc/44/83/25/408448325.db2.gz OFQXEEQKSNBPES-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000247531605 408488019 /nfs/dbraw/zinc/48/80/19/408488019.db2.gz ZXPWDTSKHVYNPJ-ARFHVFGLSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000194135708 408765168 /nfs/dbraw/zinc/76/51/68/408765168.db2.gz CGARYMXAQXISII-MRXNPFEDSA-N 2 1 310.486 1.892 10 0 DDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000191479123 163188997 /nfs/dbraw/zinc/18/89/97/163188997.db2.gz BDIFOPFIXGCOTJ-SFHVURJKSA-N 2 1 319.497 1.973 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000174737083 287220560 /nfs/dbraw/zinc/22/05/60/287220560.db2.gz NPMCEYSENASSPF-IIAWOOMASA-N 2 1 308.470 1.737 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000174737083 287220561 /nfs/dbraw/zinc/22/05/61/287220561.db2.gz NPMCEYSENASSPF-IIAWOOMASA-N 2 1 308.470 1.737 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000174737083 287220562 /nfs/dbraw/zinc/22/05/62/287220562.db2.gz NPMCEYSENASSPF-IIAWOOMASA-N 2 1 308.470 1.737 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132777638 196282042 /nfs/dbraw/zinc/28/20/42/196282042.db2.gz JVZOZFIUJWTMGI-IAGOWNOFSA-N 2 1 317.433 1.050 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132777638 196282044 /nfs/dbraw/zinc/28/20/44/196282044.db2.gz JVZOZFIUJWTMGI-IAGOWNOFSA-N 2 1 317.433 1.050 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245927557 279318506 /nfs/dbraw/zinc/31/85/06/279318506.db2.gz HVMFJKAPXRHUPR-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245927557 279318508 /nfs/dbraw/zinc/31/85/08/279318508.db2.gz HVMFJKAPXRHUPR-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245927557 279318510 /nfs/dbraw/zinc/31/85/10/279318510.db2.gz HVMFJKAPXRHUPR-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccc(F)cc1 ZINC000261890869 484258920 /nfs/dbraw/zinc/25/89/20/484258920.db2.gz VEZNRLCTJJTURS-GDBMZVCRSA-N 2 1 307.413 1.749 10 0 DDAEMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262113354 484262310 /nfs/dbraw/zinc/26/23/10/484262310.db2.gz KRRURQJGSPPEKZ-SUMWQHHRSA-N 2 1 318.396 1.298 10 0 DDAEMP Cn1ccnc1C[N@@H+](CC[C@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811358 698439129 /nfs/dbraw/zinc/43/91/29/698439129.db2.gz HRUWVWIIDUEQBT-JKSUJKDBSA-N 2 1 318.465 1.791 10 0 DDAEMP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000261905465 698444407 /nfs/dbraw/zinc/44/44/07/698444407.db2.gz VQBVMTPDNBUXLC-OCCSQVGLSA-N 2 1 318.421 1.060 10 0 DDAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)nc1 ZINC000262037264 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0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261824802 203126755 /nfs/dbraw/zinc/12/67/55/203126755.db2.gz POXXATNPINQSPX-UAGQMJEPSA-N 2 1 317.433 1.226 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@@H]1CC[N@H+](C)CCCOC ZINC000093593672 193270931 /nfs/dbraw/zinc/27/09/31/193270931.db2.gz AILADKQYFKGUHL-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@@H]1CC[N@@H+](C)CCCOC ZINC000093593672 193270932 /nfs/dbraw/zinc/27/09/32/193270932.db2.gz AILADKQYFKGUHL-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634621 193385811 /nfs/dbraw/zinc/38/58/11/193385811.db2.gz UJPMPYPPFBDVKG-HOTGVXAUSA-N 2 1 310.463 1.933 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000094459924 193370808 /nfs/dbraw/zinc/37/08/08/193370808.db2.gz QLGBRFHDCWFCJI-WZRBSPASSA-N 2 1 305.344 1.224 10 0 DDAEMP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000247976342 257113365 /nfs/dbraw/zinc/11/33/65/257113365.db2.gz INZCAPAZGOQJKV-KFWWJZLASA-N 2 1 323.462 1.158 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079458356 407054124 /nfs/dbraw/zinc/05/41/24/407054124.db2.gz PNCRZAKMCGNOGH-HUUCEWRRSA-N 2 1 310.486 1.746 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261910029 407667309 /nfs/dbraw/zinc/66/73/09/407667309.db2.gz IVJXJCIOLRFJGR-BBWFWOEESA-N 2 1 314.433 1.624 10 0 DDAEMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCSC1 ZINC000261998423 407707740 /nfs/dbraw/zinc/70/77/40/407707740.db2.gz UGFASBVYTCBRJI-JJXSEGSLSA-N 2 1 313.511 1.170 10 0 DDAEMP Cc1nccn1CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179244874 407762451 /nfs/dbraw/zinc/76/24/51/407762451.db2.gz JVZARAINWBUDSH-INIZCTEOSA-N 2 1 322.497 1.996 10 0 DDAEMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179244874 407762455 /nfs/dbraw/zinc/76/24/55/407762455.db2.gz JVZARAINWBUDSH-INIZCTEOSA-N 3 1 322.497 1.996 10 0 DDAEMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179244874 407762461 /nfs/dbraw/zinc/76/24/61/407762461.db2.gz JVZARAINWBUDSH-INIZCTEOSA-N 3 1 322.497 1.996 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000263268771 408085035 /nfs/dbraw/zinc/08/50/35/408085035.db2.gz RWENQOPJVZPDSY-SKDRFNHKSA-N 2 1 303.175 1.258 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281671 408089980 /nfs/dbraw/zinc/08/99/80/408089980.db2.gz UIUPOIFYTWXXOT-DHVPZBTDSA-N 2 1 315.461 1.352 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000263317810 408105121 /nfs/dbraw/zinc/10/51/21/408105121.db2.gz ZSMXDAJXOXIWDX-HKUYNNGSSA-N 2 1 312.413 1.936 10 0 DDAEMP C[N@H+](Cc1cncs1)C1CCN(CCn2cccn2)CC1 ZINC000121197479 408161985 /nfs/dbraw/zinc/16/19/85/408161985.db2.gz MKXHZPQCVDJCSO-UHFFFAOYSA-N 2 1 305.451 1.936 10 0 DDAEMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000246419716 408252434 /nfs/dbraw/zinc/25/24/34/408252434.db2.gz LXXFUNNQIGTDBZ-GDBMZVCRSA-N 2 1 306.454 1.350 10 0 DDAEMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246419716 408252439 /nfs/dbraw/zinc/25/24/39/408252439.db2.gz LXXFUNNQIGTDBZ-GDBMZVCRSA-N 2 1 306.454 1.350 10 0 DDAEMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246419716 408252444 /nfs/dbraw/zinc/25/24/44/408252444.db2.gz LXXFUNNQIGTDBZ-GDBMZVCRSA-N 2 1 306.454 1.350 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246495057 408274528 /nfs/dbraw/zinc/27/45/28/408274528.db2.gz SSKHRBNOPVUGRG-CVEARBPZSA-N 2 1 308.470 1.598 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246495057 408274534 /nfs/dbraw/zinc/27/45/34/408274534.db2.gz SSKHRBNOPVUGRG-CVEARBPZSA-N 2 1 308.470 1.598 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246495057 408274539 /nfs/dbraw/zinc/27/45/39/408274539.db2.gz SSKHRBNOPVUGRG-CVEARBPZSA-N 2 1 308.470 1.598 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000247304202 408447202 /nfs/dbraw/zinc/44/72/02/408447202.db2.gz LNOKIVMUHVCEDA-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000177505331 408642590 /nfs/dbraw/zinc/64/25/90/408642590.db2.gz RTPDPPZZPJZYGN-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000177505331 408642595 /nfs/dbraw/zinc/64/25/95/408642595.db2.gz RTPDPPZZPJZYGN-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000177505331 408642598 /nfs/dbraw/zinc/64/25/98/408642598.db2.gz RTPDPPZZPJZYGN-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)C1(C)C ZINC000249098177 408688260 /nfs/dbraw/zinc/68/82/60/408688260.db2.gz JATJXXYSYVQCRT-JJRVBVJISA-N 2 1 311.470 1.462 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000191337330 163182338 /nfs/dbraw/zinc/18/23/38/163182338.db2.gz MBFUZMABOMYCPV-QAPCUYQASA-N 2 1 312.498 1.952 10 0 DDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390778449 418754776 /nfs/dbraw/zinc/75/47/76/418754776.db2.gz PAZRYWZKYYXSLO-IRXDYDNUSA-N 2 1 303.450 1.998 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC2CCCC2)CC1 ZINC000105862203 278395192 /nfs/dbraw/zinc/39/51/92/278395192.db2.gz SRAQDTRGDMEBQA-CQSZACIVSA-N 2 1 311.470 1.070 10 0 DDAEMP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247378256 279073928 /nfs/dbraw/zinc/07/39/28/279073928.db2.gz VPUQEQSMCOWRHI-LSDHHAIUSA-N 2 1 313.486 1.268 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000246408405 281197548 /nfs/dbraw/zinc/19/75/48/281197548.db2.gz RXTMQJRIHDGBFV-HOCLYGCPSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](CC)C1CC1 ZINC000246408405 281197549 /nfs/dbraw/zinc/19/75/49/281197549.db2.gz RXTMQJRIHDGBFV-HOCLYGCPSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000246408405 281197550 /nfs/dbraw/zinc/19/75/50/281197550.db2.gz RXTMQJRIHDGBFV-HOCLYGCPSA-N 2 1 308.470 1.739 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000170833511 289311729 /nfs/dbraw/zinc/31/17/29/289311729.db2.gz IRLAVSUILXISPP-MRXNPFEDSA-N 2 1 304.438 1.464 10 0 DDAEMP CC[N@H+]1CCC[C@@H](CN(C)CC(C)(C)[NH3+])[C@@H]1c1cnn(C)c1 ZINC000261938067 484260121 /nfs/dbraw/zinc/26/01/21/484260121.db2.gz MIVOKJWNOQATCR-GOEBONIOSA-N 2 1 307.486 1.862 10 0 DDAEMP Cn1ccnc1C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811355 698439068 /nfs/dbraw/zinc/43/90/68/698439068.db2.gz HRUWVWIIDUEQBT-CVEARBPZSA-N 2 1 318.465 1.791 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000261895726 698443636 /nfs/dbraw/zinc/44/36/36/698443636.db2.gz HBZLITMXUDIFNU-TVFCKZIOSA-N 2 1 309.498 1.854 10 0 DDAEMP Clc1c[nH+]ccc1NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000818626604 703946042 /nfs/dbraw/zinc/94/60/42/703946042.db2.gz CJENHGJYOFUBNS-CYBMUJFWSA-N 2 1 304.781 1.905 10 0 DDAEMP C[C@@H]([NH3+])Cc1c(N(C)C[C@@H]2CCC[N@H+]2C)nc2sccn12 ZINC000092678762 185333313 /nfs/dbraw/zinc/33/33/13/185333313.db2.gz JNZJNSVRANXQHF-NEPJUHHUSA-N 2 1 307.467 1.816 10 0 DDAEMP CC[C@@]1(C)C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702650 193295847 /nfs/dbraw/zinc/29/58/47/193295847.db2.gz YPONMVCHRYZPMR-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP CC[C@@]1(C)C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702650 193295849 /nfs/dbraw/zinc/29/58/49/193295849.db2.gz YPONMVCHRYZPMR-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093856801 193319483 /nfs/dbraw/zinc/31/94/83/193319483.db2.gz KZMOZAMNSBVLKH-HZPDHXFCSA-N 2 1 302.459 1.253 10 0 DDAEMP CCC[NH2+][C@@]1(CO)CC[C@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093856796 193320416 /nfs/dbraw/zinc/32/04/16/193320416.db2.gz NIXIMAFDYVPAJQ-HOTGVXAUSA-N 2 1 302.459 1.255 10 0 DDAEMP COCC[N@@H+](CCC[NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094364639 193365665 /nfs/dbraw/zinc/36/56/65/193365665.db2.gz BWIJPOZQZATGPX-AWEZNQCLSA-N 2 1 302.484 1.728 10 0 DDAEMP CC(C)C[N@H+](CCC(N)=[NH2+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637254 193386664 /nfs/dbraw/zinc/38/66/64/193386664.db2.gz CHGFCOFWMYDNGK-OLZOCXBDSA-N 2 1 303.472 1.626 10 0 DDAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094637254 193386665 /nfs/dbraw/zinc/38/66/65/193386665.db2.gz CHGFCOFWMYDNGK-OLZOCXBDSA-N 2 1 303.472 1.626 10 0 DDAEMP C[NH2+]C1CCC([N@@H+](C)[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634029 193385025 /nfs/dbraw/zinc/38/50/25/193385025.db2.gz XYEAKPHBBPXIIL-WUCCLRPBSA-N 2 1 302.484 1.805 10 0 DDAEMP C[NH+]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000020475202 182221389 /nfs/dbraw/zinc/22/13/89/182221389.db2.gz ZOTFUOMNBFDGID-JTQLQIEISA-N 2 1 304.257 1.758 10 0 DDAEMP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000022173753 182311901 /nfs/dbraw/zinc/31/19/01/182311901.db2.gz SQQTWQUGVGREFP-JTQLQIEISA-N 2 1 302.216 1.679 10 0 DDAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000043014493 183327348 /nfs/dbraw/zinc/32/73/48/183327348.db2.gz KHVCMLXJLBCQOD-JKSUJKDBSA-N 2 1 311.857 1.728 10 0 DDAEMP NNc1[nH+]cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943611 184261832 /nfs/dbraw/zinc/26/18/32/184261832.db2.gz BMAOCQOYBFHSJJ-LLVKDONJSA-N 2 1 309.801 1.331 10 0 DDAEMP NNc1[nH+]cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000062943611 184261833 /nfs/dbraw/zinc/26/18/33/184261833.db2.gz BMAOCQOYBFHSJJ-LLVKDONJSA-N 2 1 309.801 1.331 10 0 DDAEMP c1cc(CC[NH2+]CCN2CC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000062974918 184263874 /nfs/dbraw/zinc/26/38/74/184263874.db2.gz CLGATCBDPPYWPI-MRXNPFEDSA-N 2 1 309.479 1.287 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2OCO3)CC1 ZINC000121097928 195293893 /nfs/dbraw/zinc/29/38/93/195293893.db2.gz WNOBIFPULHJBKT-CQSZACIVSA-N 2 1 320.433 1.940 10 0 DDAEMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963876 407096545 /nfs/dbraw/zinc/09/65/45/407096545.db2.gz PSGLIMHEUBSNLC-ROUUACIJSA-N 2 1 306.450 1.838 10 0 DDAEMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963876 407096548 /nfs/dbraw/zinc/09/65/48/407096548.db2.gz PSGLIMHEUBSNLC-ROUUACIJSA-N 2 1 306.450 1.838 10 0 DDAEMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963876 407096551 /nfs/dbraw/zinc/09/65/51/407096551.db2.gz PSGLIMHEUBSNLC-ROUUACIJSA-N 2 1 306.450 1.838 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261962629 407691283 /nfs/dbraw/zinc/69/12/83/407691283.db2.gz PKORBGQYZPUUSS-LSDHHAIUSA-N 2 1 321.469 1.699 10 0 DDAEMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCSC1 ZINC000261998418 407707151 /nfs/dbraw/zinc/70/71/51/407707151.db2.gz UGFASBVYTCBRJI-FZKCQIBNSA-N 2 1 313.511 1.170 10 0 DDAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262022390 407714064 /nfs/dbraw/zinc/71/40/64/407714064.db2.gz OWQDAAZBSCVWMG-HLPPOEQASA-N 2 1 311.470 1.223 10 0 DDAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262069033 407731331 /nfs/dbraw/zinc/73/13/31/407731331.db2.gz SGFCHPNYSDUPOB-GDBMZVCRSA-N 2 1 311.470 1.369 10 0 DDAEMP Cc1nccn1CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179244865 407762705 /nfs/dbraw/zinc/76/27/05/407762705.db2.gz JVZARAINWBUDSH-MRXNPFEDSA-N 2 1 322.497 1.996 10 0 DDAEMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179244865 407762710 /nfs/dbraw/zinc/76/27/10/407762710.db2.gz JVZARAINWBUDSH-MRXNPFEDSA-N 3 1 322.497 1.996 10 0 DDAEMP Cc1[nH+]ccn1CCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179244865 407762713 /nfs/dbraw/zinc/76/27/13/407762713.db2.gz JVZARAINWBUDSH-MRXNPFEDSA-N 3 1 322.497 1.996 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000262302929 407789680 /nfs/dbraw/zinc/78/96/80/407789680.db2.gz OCKJZRQNZDKMEN-PVAVHDDUSA-N 2 1 319.449 1.377 10 0 DDAEMP CC(C)N1CC[C@@H]([N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000245480369 407997093 /nfs/dbraw/zinc/99/70/93/407997093.db2.gz XFOVWNJCAZNSBS-GOEBONIOSA-N 2 1 311.470 1.020 10 0 DDAEMP CC[C@H]1CN(c2cc(NCC3CC3)ncn2)CC[N@H+]1CCOC ZINC000119535406 408089591 /nfs/dbraw/zinc/08/95/91/408089591.db2.gz TVSLMQLSKMGPIF-HNNXBMFYSA-N 2 1 319.453 1.846 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000263317814 408104020 /nfs/dbraw/zinc/10/40/20/408104020.db2.gz ZSMXDAJXOXIWDX-MJGOQNOKSA-N 2 1 312.413 1.936 10 0 DDAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)[C@@H](C)C1 ZINC000246559250 408293216 /nfs/dbraw/zinc/29/32/16/408293216.db2.gz XATSDZVKLFQPID-XHSDSOJGSA-N 2 1 303.454 1.765 10 0 DDAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2CC)C1 ZINC000176322466 408339827 /nfs/dbraw/zinc/33/98/27/408339827.db2.gz MWGSZVTWIPIPLH-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000176322466 408339834 /nfs/dbraw/zinc/33/98/34/408339834.db2.gz MWGSZVTWIPIPLH-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000176322466 408339841 /nfs/dbraw/zinc/33/98/41/408339841.db2.gz MWGSZVTWIPIPLH-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171901087 162245781 /nfs/dbraw/zinc/24/57/81/162245781.db2.gz CQQFQNMHGMYSKD-KRWDZBQOSA-N 2 1 322.497 1.988 10 0 DDAEMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000897 408384650 /nfs/dbraw/zinc/38/46/50/408384650.db2.gz QENUSUHFIIXZSN-IRXDYDNUSA-N 2 1 323.481 1.574 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000897 408384655 /nfs/dbraw/zinc/38/46/55/408384655.db2.gz QENUSUHFIIXZSN-IRXDYDNUSA-N 2 1 323.481 1.574 10 0 DDAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000247317035 408450399 /nfs/dbraw/zinc/45/03/99/408450399.db2.gz KSWXBDFMCGOLBH-HZPDHXFCSA-N 2 1 312.502 1.946 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247505489 408483393 /nfs/dbraw/zinc/48/33/93/408483393.db2.gz VJLOKSKFFDCBMB-VQHPVUNQSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247505489 408483396 /nfs/dbraw/zinc/48/33/96/408483396.db2.gz VJLOKSKFFDCBMB-VQHPVUNQSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247505489 408483403 /nfs/dbraw/zinc/48/34/03/408483403.db2.gz VJLOKSKFFDCBMB-VQHPVUNQSA-N 2 1 322.497 1.985 10 0 DDAEMP O[C@@H](C[NH+]1CCN(CC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000132282840 196241486 /nfs/dbraw/zinc/24/14/86/196241486.db2.gz CLPPSOUGSKFOPU-IBGZPJMESA-N 2 1 317.477 1.824 10 0 DDAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[NH2+]C2)C1 ZINC000263272860 287355651 /nfs/dbraw/zinc/35/56/51/287355651.db2.gz IHIDTMGUIICKDB-CQSZACIVSA-N 2 1 301.434 1.754 10 0 DDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@H]2CCC[NH2+]CC2)C1 ZINC000665283713 424774234 /nfs/dbraw/zinc/77/42/34/424774234.db2.gz SUDRHOQKISPOIA-OALUTQOASA-N 2 1 316.493 1.534 10 0 DDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@H]2CCC[NH2+]CC2)C1 ZINC000665283713 424774236 /nfs/dbraw/zinc/77/42/36/424774236.db2.gz SUDRHOQKISPOIA-OALUTQOASA-N 2 1 316.493 1.534 10 0 DDAEMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000247216510 282039362 /nfs/dbraw/zinc/03/93/62/282039362.db2.gz BIEIEJBYJYQVOW-RYRKJORJSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261938426 698446095 /nfs/dbraw/zinc/44/60/95/698446095.db2.gz MNNPDWFRQYKOEW-RUGDWHBFSA-N 2 1 304.434 1.987 10 0 DDAEMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COCc3ccccc3)C[C@@H]2C1 ZINC000309939262 698668745 /nfs/dbraw/zinc/66/87/45/698668745.db2.gz ZBNSFHNKFPNWPH-FGTMMUONSA-N 2 1 304.434 1.448 10 0 DDAEMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)C[C@@H]2C1 ZINC000309939262 698668747 /nfs/dbraw/zinc/66/87/47/698668747.db2.gz ZBNSFHNKFPNWPH-FGTMMUONSA-N 2 1 304.434 1.448 10 0 DDAEMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@@H]2C1 ZINC000309939262 698668751 /nfs/dbraw/zinc/66/87/51/698668751.db2.gz ZBNSFHNKFPNWPH-FGTMMUONSA-N 2 1 304.434 1.448 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@@H]1C(C)C ZINC000888097737 709212717 /nfs/dbraw/zinc/21/27/17/709212717.db2.gz NQTPUTZNZFGZNF-NCOADZHNSA-N 2 1 306.454 1.678 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000181687702 539238066 /nfs/dbraw/zinc/23/80/66/539238066.db2.gz HFJMFFHVWVGOGH-HZPDHXFCSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000181687702 539238067 /nfs/dbraw/zinc/23/80/67/539238067.db2.gz HFJMFFHVWVGOGH-HZPDHXFCSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000181687702 539238069 /nfs/dbraw/zinc/23/80/69/539238069.db2.gz HFJMFFHVWVGOGH-HZPDHXFCSA-N 2 1 323.456 1.644 10 0 DDAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093520624 193262835 /nfs/dbraw/zinc/26/28/35/193262835.db2.gz FXRXJPQKRAVQSC-YIONKMFJSA-N 2 1 316.511 1.908 10 0 DDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC(C)(C)S(C)(=O)=O ZINC000093520624 193262836 /nfs/dbraw/zinc/26/28/36/193262836.db2.gz FXRXJPQKRAVQSC-YIONKMFJSA-N 2 1 316.511 1.908 10 0 DDAEMP CC[C@](C)([C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C)[NH+](C)C ZINC000093700728 193294699 /nfs/dbraw/zinc/29/46/99/193294699.db2.gz PZTPAASWPJYPKP-RRFJBIMHSA-N 2 1 319.515 1.366 10 0 DDAEMP CC1(C)CCSC[C@@H]1[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000094484834 193372868 /nfs/dbraw/zinc/37/28/68/193372868.db2.gz YYFURPOZCOOBDA-KGLIPLIRSA-N 2 1 311.495 1.414 10 0 DDAEMP C[C@H](NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000121113780 248272519 /nfs/dbraw/zinc/27/25/19/248272519.db2.gz KBJZSKNJDPAOJK-QLFBSQMISA-N 2 1 310.486 1.841 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105090814 194072260 /nfs/dbraw/zinc/07/22/60/194072260.db2.gz YNPOUJWEIGNKFX-KRWDZBQOSA-N 2 1 322.497 1.988 10 0 DDAEMP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862310 194150317 /nfs/dbraw/zinc/15/03/17/194150317.db2.gz AUNBRDCGIUKTKT-HUUCEWRRSA-N 2 1 313.486 1.172 10 0 DDAEMP CCCCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862473 194150588 /nfs/dbraw/zinc/15/05/88/194150588.db2.gz XKECUIXLZGHHQQ-HUUCEWRRSA-N 2 1 313.486 1.316 10 0 DDAEMP C[C@@H]1CN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)CC[N@H+]1C ZINC000110707353 194353266 /nfs/dbraw/zinc/35/32/66/194353266.db2.gz RLKMAABQIUDIQS-MFKMUULPSA-N 2 1 311.813 1.704 10 0 DDAEMP O=C(C[NH2+]CCC[NH+]1CCCC1)N1CCc2sccc2C1 ZINC000060205778 184144895 /nfs/dbraw/zinc/14/48/95/184144895.db2.gz PKJPJZMFGITPJF-UHFFFAOYSA-N 2 1 307.463 1.708 10 0 DDAEMP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2CN1CC[NH+]1CCCC1 ZINC000299841977 257103600 /nfs/dbraw/zinc/10/36/00/257103600.db2.gz GZAZWYWEQLMDJF-MSOLQXFVSA-N 2 1 313.445 1.673 10 0 DDAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936255 407678414 /nfs/dbraw/zinc/67/84/14/407678414.db2.gz WVVDGQDKFSQGDR-HOTGVXAUSA-N 2 1 323.481 1.607 10 0 DDAEMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc2c1OCO2 ZINC000262041184 407720325 /nfs/dbraw/zinc/72/03/25/407720325.db2.gz YOSVHIGVQLVDMA-ZNMIVQPWSA-N 2 1 304.390 1.662 10 0 DDAEMP Cc1ccc2ncc(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)n2c1 ZINC000245717194 408051691 /nfs/dbraw/zinc/05/16/91/408051691.db2.gz HEOUNNCSMVNLTE-LSDHHAIUSA-N 2 1 302.422 1.530 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270685 408084698 /nfs/dbraw/zinc/08/46/98/408084698.db2.gz SDOLIRQLIJMZRY-YOEHRIQHSA-N 2 1 323.868 1.474 10 0 DDAEMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246533523 408285896 /nfs/dbraw/zinc/28/58/96/408285896.db2.gz WRRNDMDCERGCHG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246533523 408285900 /nfs/dbraw/zinc/28/59/00/408285900.db2.gz WRRNDMDCERGCHG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246533523 408285906 /nfs/dbraw/zinc/28/59/06/408285906.db2.gz WRRNDMDCERGCHG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2CC)C1 ZINC000176322448 408338753 /nfs/dbraw/zinc/33/87/53/408338753.db2.gz MWGSZVTWIPIPLH-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000176322448 408338759 /nfs/dbraw/zinc/33/87/59/408338759.db2.gz MWGSZVTWIPIPLH-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000176322448 408338766 /nfs/dbraw/zinc/33/87/66/408338766.db2.gz MWGSZVTWIPIPLH-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000172056496 162255429 /nfs/dbraw/zinc/25/54/29/162255429.db2.gz FMGQUNJMRLSISA-HZPDHXFCSA-N 2 1 309.454 1.184 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000172056496 162255435 /nfs/dbraw/zinc/25/54/35/162255435.db2.gz FMGQUNJMRLSISA-HZPDHXFCSA-N 2 1 309.454 1.184 10 0 DDAEMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000172192305 162263684 /nfs/dbraw/zinc/26/36/84/162263684.db2.gz VHOKOZLIPQMLRA-CABCVRRESA-N 2 1 310.486 1.842 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247336969 408454049 /nfs/dbraw/zinc/45/40/49/408454049.db2.gz NGSVKPKYOROZMK-FPCVCCKLSA-N 2 1 310.486 1.887 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247560475 408492676 /nfs/dbraw/zinc/49/26/76/408492676.db2.gz ZZXMKBPFCSTWKN-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000247560475 408492678 /nfs/dbraw/zinc/49/26/78/408492678.db2.gz ZZXMKBPFCSTWKN-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000247560475 408492682 /nfs/dbraw/zinc/49/26/82/408492682.db2.gz ZZXMKBPFCSTWKN-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389971585 418752209 /nfs/dbraw/zinc/75/22/09/418752209.db2.gz CGYOHVNLVDPWDQ-YALNPMBYSA-N 2 1 301.434 1.479 10 0 DDAEMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245712689 277060685 /nfs/dbraw/zinc/06/06/85/277060685.db2.gz ZROLFYYAKDRQRJ-RTBURBONSA-N 2 1 317.477 1.822 10 0 DDAEMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000262447530 289349149 /nfs/dbraw/zinc/34/91/49/289349149.db2.gz VMCNWXGWBWTUBW-AWEZNQCLSA-N 2 1 315.461 1.795 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C[C@H]12 ZINC000262566275 295321483 /nfs/dbraw/zinc/32/14/83/295321483.db2.gz WRTPLEZZHWVRLB-NNXHMXCWSA-N 2 1 305.466 1.837 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C[C@H]12 ZINC000262566275 295321484 /nfs/dbraw/zinc/32/14/84/295321484.db2.gz WRTPLEZZHWVRLB-NNXHMXCWSA-N 2 1 305.466 1.837 10 0 DDAEMP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000396394332 483993292 /nfs/dbraw/zinc/99/32/92/483993292.db2.gz UXSQSOQRELMLJZ-RDJZCZTQSA-N 2 1 301.434 1.719 10 0 DDAEMP C[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000396394332 483993298 /nfs/dbraw/zinc/99/32/98/483993298.db2.gz UXSQSOQRELMLJZ-RDJZCZTQSA-N 2 1 301.434 1.719 10 0 DDAEMP NC(=O)C1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716656130 699283494 /nfs/dbraw/zinc/28/34/94/699283494.db2.gz QWLYASTUHDJTPA-BSQPYMJMSA-N 2 1 313.445 1.893 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@@H]1C(C)C ZINC000888097740 709212783 /nfs/dbraw/zinc/21/27/83/709212783.db2.gz NQTPUTZNZFGZNF-WCXIOVBPSA-N 2 1 306.454 1.678 10 0 DDAEMP CC(C)(C[NH3+])CCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000087598539 185228996 /nfs/dbraw/zinc/22/89/96/185228996.db2.gz VHESGUSIOJAKQT-UHFFFAOYSA-N 2 1 305.348 1.878 10 0 DDAEMP CC(C)(C[NH3+])CCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000087598539 185228997 /nfs/dbraw/zinc/22/89/97/185228997.db2.gz VHESGUSIOJAKQT-UHFFFAOYSA-N 2 1 305.348 1.878 10 0 DDAEMP CC[N@H+]1CC[C@@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087854745 185233579 /nfs/dbraw/zinc/23/35/79/185233579.db2.gz UORFQFQLBNCGPF-QMMMGPOBSA-N 2 1 315.219 1.278 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000220940466 539265006 /nfs/dbraw/zinc/26/50/06/539265006.db2.gz KUOGODJEKVZAGG-DGCLKSJQSA-N 2 1 307.360 1.471 10 0 DDAEMP C[NH2+]Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC000092679176 185333288 /nfs/dbraw/zinc/33/32/88/185333288.db2.gz VRXPYXJYTITIDT-LBPRGKRZSA-N 2 1 315.439 1.022 10 0 DDAEMP CCC[NH2+][C@H]1CCC[C@H]1CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000093554671 193267108 /nfs/dbraw/zinc/26/71/08/193267108.db2.gz SNJKRVQDHPOJDP-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593674 193270898 /nfs/dbraw/zinc/27/08/98/193270898.db2.gz AILADKQYFKGUHL-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@H]1CC[N@@H+](C)CCCOC ZINC000093593674 193270899 /nfs/dbraw/zinc/27/08/99/193270899.db2.gz AILADKQYFKGUHL-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CCC[N@@H+](Cc1cc(=O)n2ncsc2n1)CC(C)(C)C[NH3+] ZINC000093891910 193324085 /nfs/dbraw/zinc/32/40/85/193324085.db2.gz MDISYWANSHHOTO-UHFFFAOYSA-N 2 1 309.439 1.348 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000106431935 194213811 /nfs/dbraw/zinc/21/38/11/194213811.db2.gz HQGHHCBGYYLZHH-QGZVFWFLSA-N 2 1 303.450 1.761 10 0 DDAEMP Cc1ccc(C[N@@H+]2C[C@H]3OCCN(CC[NH+](C)C)[C@H]3C2)s1 ZINC000247945333 257114321 /nfs/dbraw/zinc/11/43/21/257114321.db2.gz AUNPDQLVULHEMD-JKSUJKDBSA-N 2 1 309.479 1.503 10 0 DDAEMP C[NH+](C)CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503719134 257208990 /nfs/dbraw/zinc/20/89/90/257208990.db2.gz YZPABFKWOHDFQF-IAGOWNOFSA-N 2 1 307.413 1.272 10 0 DDAEMP COc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)nn1C ZINC000261808995 286183579 /nfs/dbraw/zinc/18/35/79/286183579.db2.gz WQDMWNNEXWLXTR-WBVHZDCISA-N 2 1 314.433 1.911 10 0 DDAEMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000171048336 407582773 /nfs/dbraw/zinc/58/27/73/407582773.db2.gz NZBDJDIAJJJISX-HNNXBMFYSA-N 2 1 310.486 1.987 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261547040 407539702 /nfs/dbraw/zinc/53/97/02/407539702.db2.gz LQMJNSANDGBBFC-UHFFFAOYSA-N 2 1 315.421 1.625 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261811367 407622603 /nfs/dbraw/zinc/62/26/03/407622603.db2.gz HSCIKBAGXNPMKW-SFHVURJKSA-N 2 1 302.466 1.835 10 0 DDAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CC[NH2+]CC2)C1 ZINC000261811367 407622606 /nfs/dbraw/zinc/62/26/06/407622606.db2.gz HSCIKBAGXNPMKW-SFHVURJKSA-N 3 1 302.466 1.835 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CC[NH2+]CC2)C1 ZINC000261811367 407622607 /nfs/dbraw/zinc/62/26/07/407622607.db2.gz HSCIKBAGXNPMKW-SFHVURJKSA-N 3 1 302.466 1.835 10 0 DDAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261811367 407622614 /nfs/dbraw/zinc/62/26/14/407622614.db2.gz HSCIKBAGXNPMKW-SFHVURJKSA-N 3 1 302.466 1.835 10 0 DDAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261811367 407622618 /nfs/dbraw/zinc/62/26/18/407622618.db2.gz HSCIKBAGXNPMKW-SFHVURJKSA-N 3 1 302.466 1.835 10 0 DDAEMP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc2c1OCC2 ZINC000261845196 407637252 /nfs/dbraw/zinc/63/72/52/407637252.db2.gz AREDJMYCEGVWBX-KSZLIROESA-N 2 1 316.445 1.911 10 0 DDAEMP COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063757 407728822 /nfs/dbraw/zinc/72/88/22/407728822.db2.gz AOWLUYLOTVALOX-DOTOQJQBSA-N 2 1 303.450 1.778 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCCc3ccc(F)cc3)C[C@H]12 ZINC000262393442 407822744 /nfs/dbraw/zinc/82/27/44/407822744.db2.gz BNTOJAXNZZNRDW-CWRNSKLLSA-N 2 1 305.397 1.154 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCCc3ccc(F)cc3)C[C@H]12 ZINC000262393442 407822751 /nfs/dbraw/zinc/82/27/51/407822751.db2.gz BNTOJAXNZZNRDW-CWRNSKLLSA-N 2 1 305.397 1.154 10 0 DDAEMP C[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000262607939 407879348 /nfs/dbraw/zinc/87/93/48/407879348.db2.gz ZSRCVQXSRAWZFJ-KMFMINBZSA-N 2 1 301.434 1.677 10 0 DDAEMP C[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000262607939 407879351 /nfs/dbraw/zinc/87/93/51/407879351.db2.gz ZSRCVQXSRAWZFJ-KMFMINBZSA-N 2 1 301.434 1.677 10 0 DDAEMP CC1CC[NH+](CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246793970 408342559 /nfs/dbraw/zinc/34/25/59/408342559.db2.gz BNQLBBSCDQZHEB-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000247087862 408405686 /nfs/dbraw/zinc/40/56/86/408405686.db2.gz JKQDIWQDUUBFCL-IIAWOOMASA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000247087862 408405690 /nfs/dbraw/zinc/40/56/90/408405690.db2.gz JKQDIWQDUUBFCL-IIAWOOMASA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247087862 408405696 /nfs/dbraw/zinc/40/56/96/408405696.db2.gz JKQDIWQDUUBFCL-IIAWOOMASA-N 2 1 308.470 1.499 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247278247 408442615 /nfs/dbraw/zinc/44/26/15/408442615.db2.gz KETJWCOQHHFIHC-OAGGEKHMSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247278247 408442618 /nfs/dbraw/zinc/44/26/18/408442618.db2.gz KETJWCOQHHFIHC-OAGGEKHMSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247278247 408442623 /nfs/dbraw/zinc/44/26/23/408442623.db2.gz KETJWCOQHHFIHC-OAGGEKHMSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309876210 409789319 /nfs/dbraw/zinc/78/93/19/409789319.db2.gz IFDHYSLNUXAATK-FUHWJXTLSA-N 2 1 301.434 1.767 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+](C)C1CC1 ZINC000381845418 418729671 /nfs/dbraw/zinc/72/96/71/418729671.db2.gz AKCGUQAMASWLBF-MAUKXSAKSA-N 2 1 305.466 1.552 10 0 DDAEMP C[C@@H](C[NH+](C)Cc1ccccc1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381845418 418729673 /nfs/dbraw/zinc/72/96/73/418729673.db2.gz AKCGUQAMASWLBF-MAUKXSAKSA-N 2 1 305.466 1.552 10 0 DDAEMP O[C@]1(CN[C@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975472 227291203 /nfs/dbraw/zinc/29/12/03/227291203.db2.gz GVAKHYMHXOCEAV-ROUUACIJSA-N 2 1 303.450 1.355 10 0 DDAEMP O[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000422975472 227291208 /nfs/dbraw/zinc/29/12/08/227291208.db2.gz GVAKHYMHXOCEAV-ROUUACIJSA-N 2 1 303.450 1.355 10 0 DDAEMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247169794 277384683 /nfs/dbraw/zinc/38/46/83/277384683.db2.gz KPTFYVDIWJFMCC-WBVHZDCISA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000173999506 279125576 /nfs/dbraw/zinc/12/55/76/279125576.db2.gz YNGKFBISWDQPOS-OAGGEKHMSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@H](C)O ZINC000246994136 282028098 /nfs/dbraw/zinc/02/80/98/282028098.db2.gz VIZRYSXDHQUVEL-ARFHVFGLSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1C[C@H](C)O ZINC000246994136 282028102 /nfs/dbraw/zinc/02/81/02/282028102.db2.gz VIZRYSXDHQUVEL-ARFHVFGLSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1C[C@H](C)O ZINC000246994136 282028105 /nfs/dbraw/zinc/02/81/05/282028105.db2.gz VIZRYSXDHQUVEL-ARFHVFGLSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1C[C@H](C)O ZINC000246994136 282028107 /nfs/dbraw/zinc/02/81/07/282028107.db2.gz VIZRYSXDHQUVEL-ARFHVFGLSA-N 2 1 311.470 1.164 10 0 DDAEMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261837545 289003516 /nfs/dbraw/zinc/00/35/16/289003516.db2.gz ABHSUSQLLQKYMZ-DRRXZNNHSA-N 2 1 323.481 1.380 10 0 DDAEMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261908025 698444314 /nfs/dbraw/zinc/44/43/14/698444314.db2.gz IQGZROPTJYAWFC-ZJPYXAASSA-N 2 1 320.433 1.475 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@H]1C(C)C ZINC000888097158 709212643 /nfs/dbraw/zinc/21/26/43/709212643.db2.gz CQAQUUQKQVVAQC-DZUCGIPZSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@H]1C(C)C ZINC000888097158 709212646 /nfs/dbraw/zinc/21/26/46/709212646.db2.gz CQAQUUQKQVVAQC-DZUCGIPZSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@H]1C(C)C ZINC000888097158 709212647 /nfs/dbraw/zinc/21/26/47/709212647.db2.gz CQAQUUQKQVVAQC-DZUCGIPZSA-N 2 1 306.454 1.678 10 0 DDAEMP CCOCCOC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164513 185240977 /nfs/dbraw/zinc/24/09/77/185240977.db2.gz YGGRAHRDIDLZAI-WTXIUTQJSA-N 2 1 300.443 1.005 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000249759024 282194080 /nfs/dbraw/zinc/19/40/80/282194080.db2.gz KHIVWJMLUXKDMR-JKSUJKDBSA-N 2 1 310.486 1.892 10 0 DDAEMP C[N@@H+](CCN1CC[NH+](CC(C)(C)O)CC1)Cc1ccc(F)cc1 ZINC000181680301 539238130 /nfs/dbraw/zinc/23/81/30/539238130.db2.gz MQHCQIBUPCINBI-UHFFFAOYSA-N 2 1 323.456 1.646 10 0 DDAEMP Clc1ccc2c(c1)[nH+]ccc2N1CC(N2CC[NH2+]CC2)C1 ZINC000090309819 185290379 /nfs/dbraw/zinc/29/03/79/185290379.db2.gz GWCKETWJRSQLCU-UHFFFAOYSA-N 2 1 302.809 1.982 10 0 DDAEMP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000237895566 202381976 /nfs/dbraw/zinc/38/19/76/202381976.db2.gz PYVPKLHIHFSVBB-IRXDYDNUSA-N 2 1 317.433 1.262 10 0 DDAEMP CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596089 193270695 /nfs/dbraw/zinc/27/06/95/193270695.db2.gz ANCZVOKSAATGEQ-AAEUAGOBSA-N 2 1 309.376 1.894 10 0 DDAEMP CC(C)[NH+](CC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696060 193291614 /nfs/dbraw/zinc/29/16/14/193291614.db2.gz KKWQGEPEDGQBLG-OAHLLOKOSA-N 2 1 319.515 1.366 10 0 DDAEMP C[N@@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634620 193385799 /nfs/dbraw/zinc/38/57/99/193385799.db2.gz UJPMPYPPFBDVKG-CVEARBPZSA-N 2 1 310.463 1.933 10 0 DDAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CCN(C)C)[NH2+]C(C)C ZINC000111145228 194395776 /nfs/dbraw/zinc/39/57/76/194395776.db2.gz NRWRGPLCACBGGN-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CCN(C)C)[NH2+]C(C)C ZINC000111145228 194395777 /nfs/dbraw/zinc/39/57/77/194395777.db2.gz NRWRGPLCACBGGN-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP C[NH+]1CCN(C[C@@H]2OC[C@H]3CC[N@@H+](Cc4ccoc4)C[C@@H]23)CC1 ZINC000248053788 257109604 /nfs/dbraw/zinc/10/96/04/257109604.db2.gz RRQUDCAZBCAIBP-KURKYZTESA-N 2 1 319.449 1.364 10 0 DDAEMP CN1CC[NH+](C[C@@H]2OC[C@H]3CC[N@H+](Cc4ccoc4)C[C@@H]23)CC1 ZINC000248053788 257109605 /nfs/dbraw/zinc/10/96/05/257109605.db2.gz RRQUDCAZBCAIBP-KURKYZTESA-N 2 1 319.449 1.364 10 0 DDAEMP CN1CC[NH+](C[C@@H]2OC[C@H]3CC[N@@H+](Cc4ccoc4)C[C@@H]23)CC1 ZINC000248053788 257109606 /nfs/dbraw/zinc/10/96/06/257109606.db2.gz RRQUDCAZBCAIBP-KURKYZTESA-N 2 1 319.449 1.364 10 0 DDAEMP Cn1ccc(C[N@@H+]2CCC[C@]3(C[C@H](C[NH+](C)C4CC4)CO3)C2)n1 ZINC000096075661 257135117 /nfs/dbraw/zinc/13/51/17/257135117.db2.gz POPUYVGPGVCNDD-QAPCUYQASA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[N@H+]2CCC[C@]3(C[C@H](C[NH+](C)C4CC4)CO3)C2)n1 ZINC000096075661 257135118 /nfs/dbraw/zinc/13/51/18/257135118.db2.gz POPUYVGPGVCNDD-QAPCUYQASA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[NH+]2CCC[C@]3(C[C@H](C[N@H+](C)C4CC4)CO3)C2)n1 ZINC000096075661 257135119 /nfs/dbraw/zinc/13/51/19/257135119.db2.gz POPUYVGPGVCNDD-QAPCUYQASA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[NH+]2CCC[C@]3(C[C@H](C[N@@H+](C)C4CC4)CO3)C2)n1 ZINC000096075661 257135120 /nfs/dbraw/zinc/13/51/20/257135120.db2.gz POPUYVGPGVCNDD-QAPCUYQASA-N 2 1 318.465 1.885 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000111875505 407418973 /nfs/dbraw/zinc/41/89/73/407418973.db2.gz XQIWZANWKZWUDR-DOTOQJQBSA-N 2 1 318.465 1.852 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000113229858 407477296 /nfs/dbraw/zinc/47/72/96/407477296.db2.gz SKXCELWNWASULD-DJIMGWMZSA-N 2 1 301.434 1.984 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000113229858 407477306 /nfs/dbraw/zinc/47/73/06/407477306.db2.gz SKXCELWNWASULD-DJIMGWMZSA-N 2 1 301.434 1.984 10 0 DDAEMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261847004 407641303 /nfs/dbraw/zinc/64/13/03/407641303.db2.gz AYDJPGKHTRTFOL-KSZLIROESA-N 2 1 303.450 1.999 10 0 DDAEMP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261871956 407650631 /nfs/dbraw/zinc/65/06/31/407650631.db2.gz DHBHOZPJNWLJIW-BBWFWOEESA-N 2 1 308.397 1.951 10 0 DDAEMP CCN(C)C(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000130487700 407693728 /nfs/dbraw/zinc/69/37/28/407693728.db2.gz GIAWAEYODIIZDY-OAHLLOKOSA-N 2 1 304.438 1.992 10 0 DDAEMP CCN(C)C(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000130487700 407693733 /nfs/dbraw/zinc/69/37/33/407693733.db2.gz GIAWAEYODIIZDY-OAHLLOKOSA-N 2 1 304.438 1.992 10 0 DDAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263197875 408053269 /nfs/dbraw/zinc/05/32/69/408053269.db2.gz IRNCEPCVZIKWSL-SJORKVTESA-N 2 1 305.466 1.315 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000263217478 408062195 /nfs/dbraw/zinc/06/21/95/408062195.db2.gz LCZWPLLYWLUSSX-IAGOWNOFSA-N 2 1 313.401 1.331 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000175168102 408068327 /nfs/dbraw/zinc/06/83/27/408068327.db2.gz REEJYXGHEVUAIJ-LSDHHAIUSA-N 2 1 319.453 1.358 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246018143 408121076 /nfs/dbraw/zinc/12/10/76/408121076.db2.gz NIXWTLWHNHWFKY-HUUCEWRRSA-N 2 1 310.486 1.842 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C[C@@H]1C ZINC000246260850 408194997 /nfs/dbraw/zinc/19/49/97/408194997.db2.gz LAYSUXMAHWQCBD-GJZGRUSLSA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C[C@@H]1C ZINC000246260850 408195002 /nfs/dbraw/zinc/19/50/02/408195002.db2.gz LAYSUXMAHWQCBD-GJZGRUSLSA-N 2 1 311.470 1.191 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@H+]1C1CC1 ZINC000246179075 408165512 /nfs/dbraw/zinc/16/55/12/408165512.db2.gz GWMRQRUCYSONFG-HGTKMLMNSA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179075 408165517 /nfs/dbraw/zinc/16/55/17/408165517.db2.gz GWMRQRUCYSONFG-HGTKMLMNSA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179075 408165520 /nfs/dbraw/zinc/16/55/20/408165520.db2.gz GWMRQRUCYSONFG-HGTKMLMNSA-N 2 1 306.454 1.490 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246390952 408241279 /nfs/dbraw/zinc/24/12/79/408241279.db2.gz QZZHBGKDGZZNFD-ARFHVFGLSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000246390952 408241285 /nfs/dbraw/zinc/24/12/85/408241285.db2.gz QZZHBGKDGZZNFD-ARFHVFGLSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000246390952 408241288 /nfs/dbraw/zinc/24/12/88/408241288.db2.gz QZZHBGKDGZZNFD-ARFHVFGLSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246374080 408233075 /nfs/dbraw/zinc/23/30/75/408233075.db2.gz HTCZBGVGHHFKFO-IRXDYDNUSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246374080 408233080 /nfs/dbraw/zinc/23/30/80/408233080.db2.gz HTCZBGVGHHFKFO-IRXDYDNUSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246374080 408233083 /nfs/dbraw/zinc/23/30/83/408233083.db2.gz HTCZBGVGHHFKFO-IRXDYDNUSA-N 2 1 322.497 1.844 10 0 DDAEMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171645014 162233055 /nfs/dbraw/zinc/23/30/55/162233055.db2.gz XYNJUSMZVYUUBE-KRWDZBQOSA-N 2 1 320.481 1.741 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000176841280 408457788 /nfs/dbraw/zinc/45/77/88/408457788.db2.gz KETJWCOQHHFIHC-ARFHVFGLSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176841280 408457792 /nfs/dbraw/zinc/45/77/92/408457792.db2.gz KETJWCOQHHFIHC-ARFHVFGLSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000176841280 408457796 /nfs/dbraw/zinc/45/77/96/408457796.db2.gz KETJWCOQHHFIHC-ARFHVFGLSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC000176971694 408486765 /nfs/dbraw/zinc/48/67/65/408486765.db2.gz VSXDYAZVORJLMR-MRXNPFEDSA-N 2 1 311.470 1.432 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC000176971694 408486773 /nfs/dbraw/zinc/48/67/73/408486773.db2.gz VSXDYAZVORJLMR-MRXNPFEDSA-N 2 1 311.470 1.432 10 0 DDAEMP C[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192713053 408636206 /nfs/dbraw/zinc/63/62/06/408636206.db2.gz RROVQHFBFNYOIH-YJBOKZPZSA-N 2 1 306.450 1.745 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)[nH+]1 ZINC000195516320 163326968 /nfs/dbraw/zinc/32/69/68/163326968.db2.gz SOYQIQUGXYPPQZ-INIZCTEOSA-N 2 1 316.449 1.992 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837244 423151861 /nfs/dbraw/zinc/15/18/61/423151861.db2.gz YIUOTHUZBGHLQK-XIRDDKMYSA-N 2 1 301.434 1.480 10 0 DDAEMP C[C@H](CCNC(=O)[C@H]1C[NH2+]CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000649347142 423783292 /nfs/dbraw/zinc/78/32/92/423783292.db2.gz GUYSLFPKCFVPES-WBVHZDCISA-N 2 1 319.449 1.249 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000333860827 289046290 /nfs/dbraw/zinc/04/62/90/289046290.db2.gz RZWOIXVPAHJSSP-FXUDXRNXSA-N 2 1 324.469 1.009 10 0 DDAEMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479295 302370031 /nfs/dbraw/zinc/37/00/31/302370031.db2.gz VUFDNEPJEVQYGD-WDSOQIARSA-N 2 1 317.477 1.865 10 0 DDAEMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479295 302370033 /nfs/dbraw/zinc/37/00/33/302370033.db2.gz VUFDNEPJEVQYGD-WDSOQIARSA-N 2 1 317.477 1.865 10 0 DDAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1OCC(C)C ZINC000262198043 484264708 /nfs/dbraw/zinc/26/47/08/484264708.db2.gz ZRIOYNBXVZXYQX-GJZGRUSLSA-N 2 1 308.422 1.400 10 0 DDAEMP CN(C)c1cc[nH+]c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000154345448 522305751 /nfs/dbraw/zinc/30/57/51/522305751.db2.gz SQYYLAMACTVLFV-CABCVRRESA-N 2 1 319.453 1.722 10 0 DDAEMP C[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000261707604 698433701 /nfs/dbraw/zinc/43/37/01/698433701.db2.gz JQRNILGOCGJBLO-ILXRZTDVSA-N 2 1 319.449 1.634 10 0 DDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000079269528 185163067 /nfs/dbraw/zinc/16/30/67/185163067.db2.gz DAOGOHUVYZNTSD-HOTGVXAUSA-N 2 1 312.502 1.994 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])oc1C ZINC000092680067 185333425 /nfs/dbraw/zinc/33/34/25/185333425.db2.gz WORZYAPPTIDPCZ-GFCCVEGCSA-N 2 1 315.439 1.152 10 0 DDAEMP CCC[NH2+]CCCS(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092679991 185333537 /nfs/dbraw/zinc/33/35/37/185333537.db2.gz JMESIEIZIIZBNA-AWEZNQCLSA-N 2 1 305.488 1.122 10 0 DDAEMP O=S(=O)(CCCC[NH2+]C1CC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000089028350 192708644 /nfs/dbraw/zinc/70/86/44/192708644.db2.gz SZSOTMFWCAAPSX-OAHLLOKOSA-N 2 1 315.483 1.019 10 0 DDAEMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703095 193295818 /nfs/dbraw/zinc/29/58/18/193295818.db2.gz GJDAWKBZICJJOI-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@H]1CC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093856806 193319869 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DDAEMP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000106916860 407367023 /nfs/dbraw/zinc/36/70/23/407367023.db2.gz ZAVQBYZNGJTKTB-YOEHRIQHSA-N 2 1 303.450 1.758 10 0 DDAEMP Cc1nnc([C@@H]2CC3(C[N@H+]2CCO)CC[NH+](CC(C)C)CC3)o1 ZINC000257191751 407488113 /nfs/dbraw/zinc/48/81/13/407488113.db2.gz RFIXVAFDUMUVCJ-HNNXBMFYSA-N 2 1 322.453 1.855 10 0 DDAEMP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCO)CC[NH+](CC(C)C)CC3)o1 ZINC000257191751 407488118 /nfs/dbraw/zinc/48/81/18/407488118.db2.gz RFIXVAFDUMUVCJ-HNNXBMFYSA-N 2 1 322.453 1.855 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000170826863 407517382 /nfs/dbraw/zinc/51/73/82/407517382.db2.gz JSHMDXFJCYXVNJ-QGZVFWFLSA-N 2 1 318.465 1.854 10 0 DDAEMP C[C@@H]1C[NH+](CCOCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000178637130 407523666 /nfs/dbraw/zinc/52/36/66/407523666.db2.gz MCXMWBFXCILVFX-OKILXGFUSA-N 2 1 304.525 1.878 10 0 DDAEMP C[C@@H]1C[N@H+](CCOCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000178637130 407523671 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C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261811366 407621786 /nfs/dbraw/zinc/62/17/86/407621786.db2.gz HSCIKBAGXNPMKW-GOSISDBHSA-N 3 1 302.466 1.835 10 0 DDAEMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859072 407643473 /nfs/dbraw/zinc/64/34/73/407643473.db2.gz BYLIHXDPXGTPGZ-KZNAEPCWSA-N 2 1 309.498 1.998 10 0 DDAEMP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)OCCO2 ZINC000261871940 407649801 /nfs/dbraw/zinc/64/98/01/407649801.db2.gz DGVJWEOWMWNGGH-ARFHVFGLSA-N 2 1 318.417 1.705 10 0 DDAEMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261932213 407678524 /nfs/dbraw/zinc/67/85/24/407678524.db2.gz LUDKWNFEVNGUJU-RCCFBDPRSA-N 2 1 317.433 1.892 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000181279294 407974696 /nfs/dbraw/zinc/97/46/96/407974696.db2.gz JUUYCSRXNYVREZ-RDJZCZTQSA-N 2 1 318.465 1.900 10 0 DDAEMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000181279294 407974704 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319.449 1.502 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246353077 408231208 /nfs/dbraw/zinc/23/12/08/408231208.db2.gz GGMHJRSWHMUOHT-RBSFLKMASA-N 2 1 310.486 1.887 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000192740833 163235705 /nfs/dbraw/zinc/23/57/05/163235705.db2.gz ZBFYDBOYGKQUEV-ZWKOTPCHSA-N 2 1 308.514 1.571 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000192740833 163235708 /nfs/dbraw/zinc/23/57/08/163235708.db2.gz ZBFYDBOYGKQUEV-ZWKOTPCHSA-N 2 1 308.514 1.571 10 0 DDAEMP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000309582521 418590287 /nfs/dbraw/zinc/59/02/87/418590287.db2.gz NPMSXKORDPJZLN-SJORKVTESA-N 2 1 301.434 1.706 10 0 DDAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000261622619 296940926 /nfs/dbraw/zinc/94/09/26/296940926.db2.gz BASSJAVJSMGFBM-KBUPBQIOSA-N 2 1 311.470 1.365 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837237 423151366 /nfs/dbraw/zinc/15/13/66/423151366.db2.gz YIUOTHUZBGHLQK-BHYGNILZSA-N 2 1 301.434 1.480 10 0 DDAEMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763621 422627207 /nfs/dbraw/zinc/62/72/07/422627207.db2.gz ZVDJNQPOOXXVHR-SCTDSRPQSA-N 2 1 313.445 1.767 10 0 DDAEMP CCCn1c(C)nnc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179307883 263357874 /nfs/dbraw/zinc/35/78/74/263357874.db2.gz IZAHJZFHMBERAZ-CQSZACIVSA-N 2 1 323.485 1.521 10 0 DDAEMP CCCn1c(C)nnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179307883 263357878 /nfs/dbraw/zinc/35/78/78/263357878.db2.gz IZAHJZFHMBERAZ-CQSZACIVSA-N 2 1 323.485 1.521 10 0 DDAEMP C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658238811 424616515 /nfs/dbraw/zinc/61/65/15/424616515.db2.gz IWLNZWHMKBJVEB-JQHSSLGASA-N 2 1 315.461 1.965 10 0 DDAEMP C[NH2+]CC(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246515876 277020213 /nfs/dbraw/zinc/02/02/13/277020213.db2.gz QXFUVVLHNNAHJN-HWWDLCQESA-N 2 1 303.450 1.821 10 0 DDAEMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105103297 277384111 /nfs/dbraw/zinc/38/41/11/277384111.db2.gz QKOHQKDBXQGFBJ-QGZVFWFLSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000309716516 484379530 /nfs/dbraw/zinc/37/95/30/484379530.db2.gz KYOGCHKQVFMYPS-HYVNUMGLSA-N 2 1 303.450 1.998 10 0 DDAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309710737 490732816 /nfs/dbraw/zinc/73/28/16/490732816.db2.gz JFWUYOVQRZBKML-BHYGNILZSA-N 2 1 303.450 1.998 10 0 DDAEMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261553729 698427819 /nfs/dbraw/zinc/42/78/19/698427819.db2.gz SROFBQLSBXKMCZ-MRXNPFEDSA-N 2 1 317.433 1.275 10 0 DDAEMP [NH3+]C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC000713823069 699267584 /nfs/dbraw/zinc/26/75/84/699267584.db2.gz RFGQBODJCMXVQT-SJORKVTESA-N 2 1 317.433 1.085 10 0 DDAEMP CCOCC[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173212959 539227494 /nfs/dbraw/zinc/22/74/94/539227494.db2.gz PATUYTXDTSRFTC-UHFFFAOYSA-N 2 1 323.456 1.912 10 0 DDAEMP CN(CCC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000088420071 185249468 /nfs/dbraw/zinc/24/94/68/185249468.db2.gz FXMTYRMUPVLYAZ-GFCCVEGCSA-N 2 1 307.360 1.614 10 0 DDAEMP CN(CCC(F)(F)F)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000088420071 185249469 /nfs/dbraw/zinc/24/94/69/185249469.db2.gz FXMTYRMUPVLYAZ-GFCCVEGCSA-N 2 1 307.360 1.614 10 0 DDAEMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262681545 282293743 /nfs/dbraw/zinc/29/37/43/282293743.db2.gz XQZKEEFEFVZQMK-JYJNAYRXSA-N 2 1 311.470 1.367 10 0 DDAEMP CC(C)[NH+]1CCC(NCc2n[nH]c(C3CC[NH2+]CC3)n2)CC1 ZINC000333593552 535162494 /nfs/dbraw/zinc/16/24/94/535162494.db2.gz PKKGLKSBYSORNJ-UHFFFAOYSA-N 2 1 306.458 1.234 10 0 DDAEMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000262329451 354392412 /nfs/dbraw/zinc/39/24/12/354392412.db2.gz XSFANCVCOQDEKI-TUVASFSCSA-N 2 1 311.470 1.508 10 0 DDAEMP CCOC(=O)[C@H]([NH3+])CCSC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000080746770 192187125 /nfs/dbraw/zinc/18/71/25/192187125.db2.gz URYYFTJLUXFBLC-CHWSQXEVSA-N 2 1 304.456 1.109 10 0 DDAEMP CCOC(=O)[C@H]([NH3+])CCSC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000080746770 192187128 /nfs/dbraw/zinc/18/71/28/192187128.db2.gz URYYFTJLUXFBLC-CHWSQXEVSA-N 2 1 304.456 1.109 10 0 DDAEMP C[N@H+]1CC[C@@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000093386816 193242089 /nfs/dbraw/zinc/24/20/89/193242089.db2.gz BWSXBZSOMOIAPP-CYBMUJFWSA-N 2 1 309.211 1.868 10 0 DDAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCCS(C)(=O)=O ZINC000040784440 183133630 /nfs/dbraw/zinc/13/36/30/183133630.db2.gz JCKCTTQQOIXOTC-YIONKMFJSA-N 2 1 302.484 1.520 10 0 DDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCCS(C)(=O)=O ZINC000040784440 183133633 /nfs/dbraw/zinc/13/36/33/183133633.db2.gz JCKCTTQQOIXOTC-YIONKMFJSA-N 2 1 302.484 1.520 10 0 DDAEMP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000062010785 184201211 /nfs/dbraw/zinc/20/12/11/184201211.db2.gz JWUYKBSOBKWMQQ-GFCCVEGCSA-N 2 1 311.451 1.340 10 0 DDAEMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCOCC2 ZINC000186242052 286280458 /nfs/dbraw/zinc/28/04/58/286280458.db2.gz YVZPQCXBZWCHMY-HZPDHXFCSA-N 2 1 314.470 1.519 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000261639688 407563383 /nfs/dbraw/zinc/56/33/83/407563383.db2.gz IMWZWQWUTAPBHE-BPLDGKMQSA-N 2 1 307.825 1.625 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000261639688 407563390 /nfs/dbraw/zinc/56/33/90/407563390.db2.gz IMWZWQWUTAPBHE-BPLDGKMQSA-N 2 1 307.825 1.625 10 0 DDAEMP CCOCCN1CCN(C(=O)C[N@@H+](CC)C2CC2)C[C@H]1CC ZINC000152719912 407675607 /nfs/dbraw/zinc/67/56/07/407675607.db2.gz CTEFIHCDXZMJED-OAHLLOKOSA-N 2 1 311.470 1.430 10 0 DDAEMP CCOCC[N@@H+]1CCN(C(=O)C[NH+](CC)C2CC2)C[C@H]1CC ZINC000152719912 407675610 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310.486 1.746 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194944097 408807239 /nfs/dbraw/zinc/80/72/39/408807239.db2.gz BUJUAFNDQJTJEP-INIZCTEOSA-N 2 1 310.486 1.892 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+](CC)CC ZINC000173312416 287220555 /nfs/dbraw/zinc/22/05/55/287220555.db2.gz DEPBWTOMALYCAH-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CC[NH3+] ZINC000246187250 297032574 /nfs/dbraw/zinc/03/25/74/297032574.db2.gz CUSPSQFNRXQZCR-HWWDLCQESA-N 2 1 303.450 1.950 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261899942 297095540 /nfs/dbraw/zinc/09/55/40/297095540.db2.gz ORWAOHVJJCBIEI-VFCJXBEMSA-N 2 1 321.465 1.214 10 0 DDAEMP C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991894 308207601 /nfs/dbraw/zinc/20/76/01/308207601.db2.gz AXQMOEMXMBAKOB-QXAKKESOSA-N 2 1 317.477 1.601 10 0 DDAEMP 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DDAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261878796 207366602 /nfs/dbraw/zinc/36/66/02/207366602.db2.gz FBQPOQFNIGANEH-OAGGEKHMSA-N 2 1 303.406 1.032 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000111875499 407418895 /nfs/dbraw/zinc/41/88/95/407418895.db2.gz XQIWZANWKZWUDR-RDJZCZTQSA-N 2 1 318.465 1.852 10 0 DDAEMP Brc1c[nH+]ccc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261577088 407544966 /nfs/dbraw/zinc/54/49/66/407544966.db2.gz OBSIWAWLHGFTSW-LLVKDONJSA-N 2 1 311.227 1.328 10 0 DDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261911210 407665700 /nfs/dbraw/zinc/66/57/00/407665700.db2.gz JAGOYGIXBMJWNN-CWQOZTLDSA-N 2 1 309.498 1.996 10 0 DDAEMP Cc1nc([C@H]2CCCN(Cc3noc(C[NH3+])n3)C2)sc1C ZINC000262181541 407759264 /nfs/dbraw/zinc/75/92/64/407759264.db2.gz IVAWDNDKPPWYKE-NSHDSACASA-N 2 1 307.423 1.981 10 0 DDAEMP CC1(C)CC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000171897214 407791373 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1.900 10 0 DDAEMP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000119526547 408087767 /nfs/dbraw/zinc/08/77/67/408087767.db2.gz LTYQOWFOEIGRLB-INIZCTEOSA-N 2 1 311.470 1.288 10 0 DDAEMP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000119526547 408087771 /nfs/dbraw/zinc/08/77/71/408087771.db2.gz LTYQOWFOEIGRLB-INIZCTEOSA-N 2 1 311.470 1.288 10 0 DDAEMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)s2)cc1 ZINC000263302761 408099502 /nfs/dbraw/zinc/09/95/02/408099502.db2.gz XGYLTMDHLWBKTP-DZGCQCFKSA-N 2 1 303.431 1.788 10 0 DDAEMP CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175488976 408143700 /nfs/dbraw/zinc/14/37/00/408143700.db2.gz KRMUYYKCENRFGF-OAHLLOKOSA-N 2 1 307.442 1.707 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000176242490 408321835 /nfs/dbraw/zinc/32/18/35/408321835.db2.gz SASITTAXUWHWAZ-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000176465184 408371812 /nfs/dbraw/zinc/37/18/12/408371812.db2.gz YJBAMXRBUPDQBO-PBHICJAKSA-N 2 1 322.497 1.889 10 0 DDAEMP C(CCN1CC[NH+]2CCC[C@@H]2C1)CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172656165 162291941 /nfs/dbraw/zinc/29/19/41/162291941.db2.gz GFIRWNPSCHNMCG-RTBURBONSA-N 2 1 320.525 1.717 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000247531613 408488895 /nfs/dbraw/zinc/48/88/95/408488895.db2.gz ZXPWDTSKHVYNPJ-BZUAXINKSA-N 2 1 310.486 1.889 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000176465202 162539977 /nfs/dbraw/zinc/53/99/77/162539977.db2.gz YJBAMXRBUPDQBO-YOEHRIQHSA-N 2 1 322.497 1.889 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccccn23)CC1 ZINC000177308450 408577108 /nfs/dbraw/zinc/57/71/08/408577108.db2.gz LZVITPXUFBNTOL-HNNXBMFYSA-N 2 1 316.449 1.859 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccnc1 ZINC000178310312 408803467 /nfs/dbraw/zinc/80/34/67/408803467.db2.gz FIBKWSDNCOPRTD-MRXNPFEDSA-N 2 1 313.405 1.367 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1cccnc1 ZINC000178310312 408803471 /nfs/dbraw/zinc/80/34/71/408803471.db2.gz FIBKWSDNCOPRTD-MRXNPFEDSA-N 2 1 313.405 1.367 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000309582515 418590097 /nfs/dbraw/zinc/59/00/97/418590097.db2.gz NPMSXKORDPJZLN-DLBZAZTESA-N 2 1 301.434 1.706 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393636273 418758804 /nfs/dbraw/zinc/75/88/04/418758804.db2.gz VGPOOHVSJMXJBS-GVDBMIGSSA-N 2 1 301.434 1.752 10 0 DDAEMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262113342 484262409 /nfs/dbraw/zinc/26/24/09/484262409.db2.gz KRRURQJGSPPEKZ-CXAGYDPISA-N 2 1 318.396 1.298 10 0 DDAEMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262006906 698450589 /nfs/dbraw/zinc/45/05/89/698450589.db2.gz VDPCEHRTSSOAMQ-BRSBDYLESA-N 2 1 304.434 1.775 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262170132 698457678 /nfs/dbraw/zinc/45/76/78/698457678.db2.gz AQNYEKZPAJWQIC-PBHICJAKSA-N 2 1 319.449 1.508 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@H]1C(C)C ZINC000888097738 709212668 /nfs/dbraw/zinc/21/26/68/709212668.db2.gz NQTPUTZNZFGZNF-QBPKDAKJSA-N 2 1 306.454 1.678 10 0 DDAEMP C[C@@](C[NH3+])(CCc1ccc(OC(F)F)cc1)[NH2+]CCCO ZINC000087929858 185237524 /nfs/dbraw/zinc/23/75/24/185237524.db2.gz QVPAMMPJZDZUDY-HNNXBMFYSA-N 2 1 302.365 1.910 10 0 DDAEMP CC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435120 185249906 /nfs/dbraw/zinc/24/99/06/185249906.db2.gz SOCOIOCMWPYGQN-AAEUAGOBSA-N 2 1 309.376 1.894 10 0 DDAEMP CC(C)[N@@H+](C)CCCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539432 185255301 /nfs/dbraw/zinc/25/53/01/185255301.db2.gz LIKWXUVUYUIHBS-UHFFFAOYSA-N 2 1 303.428 1.137 10 0 DDAEMP CCC[NH2+]CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092023984 193143876 /nfs/dbraw/zinc/14/38/76/193143876.db2.gz FGTGOZYSUBNPPN-CABCVRRESA-N 2 1 317.499 1.265 10 0 DDAEMP COC(=O)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000262102043 284119422 /nfs/dbraw/zinc/11/94/22/284119422.db2.gz VSDVJRKABSPPEL-JZXOWHBKSA-N 2 1 302.418 1.875 10 0 DDAEMP CC[C@]1(C)C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702649 193295679 /nfs/dbraw/zinc/29/56/79/193295679.db2.gz YPONMVCHRYZPMR-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP CC[C@]1(C)C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702649 193295681 /nfs/dbraw/zinc/29/56/81/193295681.db2.gz YPONMVCHRYZPMR-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP C[NH2+][C@]1(C(N)=O)CCC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756697 193301858 /nfs/dbraw/zinc/30/18/58/193301858.db2.gz MRDVPRWHWRUFCH-DGCLKSJQSA-N 2 1 307.360 1.647 10 0 DDAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062097013 184205749 /nfs/dbraw/zinc/20/57/49/184205749.db2.gz KCMDUPOQLUUXMI-ZDUSSCGKSA-N 2 1 305.488 1.120 10 0 DDAEMP Cn1ccnc1C[N@@H+]1CC[C@H]2O[C@H](COCC[NH+](C)C)CC[C@H]21 ZINC000247958831 257112751 /nfs/dbraw/zinc/11/27/51/257112751.db2.gz DQDBCFPJLUSQFI-ARFHVFGLSA-N 2 1 322.453 1.120 10 0 DDAEMP Cn1ccnc1C[N@H+]1CC[C@H]2O[C@H](COCC[NH+](C)C)CC[C@H]21 ZINC000247958831 257112752 /nfs/dbraw/zinc/11/27/52/257112752.db2.gz DQDBCFPJLUSQFI-ARFHVFGLSA-N 2 1 322.453 1.120 10 0 DDAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261698709 407584221 /nfs/dbraw/zinc/58/42/21/407584221.db2.gz BJNLXQFFJILGSJ-HOCLYGCPSA-N 2 1 311.470 1.511 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000152389316 407629684 /nfs/dbraw/zinc/62/96/84/407629684.db2.gz FVTQQSMUIUMIDF-SJORKVTESA-N 2 1 320.481 1.763 10 0 DDAEMP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)OCCO2 ZINC000261871942 407650108 /nfs/dbraw/zinc/65/01/08/407650108.db2.gz DGVJWEOWMWNGGH-BZUAXINKSA-N 2 1 318.417 1.705 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130439455 407690087 /nfs/dbraw/zinc/69/00/87/407690087.db2.gz NCAKPWWWGUGQOJ-HZPDHXFCSA-N 2 1 310.486 1.700 10 0 DDAEMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)O2 ZINC000261960136 407692448 /nfs/dbraw/zinc/69/24/48/407692448.db2.gz PNBRHHUDHPVLBU-JJXSEGSLSA-N 2 1 318.417 1.573 10 0 DDAEMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261967242 407694889 /nfs/dbraw/zinc/69/48/89/407694889.db2.gz QDNGMJZWEKLMIE-ZACQAIPSSA-N 2 1 317.433 1.075 10 0 DDAEMP C[N@@H+](CC1CCOCC1)C1CCN(CCn2cccn2)CC1 ZINC000171828741 407775152 /nfs/dbraw/zinc/77/51/52/407775152.db2.gz XISUKBYSTHGMMH-UHFFFAOYSA-N 2 1 306.454 1.706 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000117290579 407823990 /nfs/dbraw/zinc/82/39/90/407823990.db2.gz UYPWITGVQTVZGW-HNNXBMFYSA-N 2 1 319.449 1.541 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000117290579 407823992 /nfs/dbraw/zinc/82/39/92/407823992.db2.gz UYPWITGVQTVZGW-HNNXBMFYSA-N 2 1 319.449 1.541 10 0 DDAEMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000262510572 407852839 /nfs/dbraw/zinc/85/28/39/407852839.db2.gz MYKMDCGNDLIOTC-DZKIICNBSA-N 2 1 305.397 1.419 10 0 DDAEMP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000262510572 407852843 /nfs/dbraw/zinc/85/28/43/407852843.db2.gz MYKMDCGNDLIOTC-DZKIICNBSA-N 2 1 305.397 1.419 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416437 407969528 /nfs/dbraw/zinc/96/95/28/407969528.db2.gz FCYVTGKZPBXYSQ-JKSUJKDBSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246238537 408189003 /nfs/dbraw/zinc/18/90/03/408189003.db2.gz INQVKKZZIGABFN-LJIGWXMPSA-N 2 1 319.449 1.236 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246238537 408189009 /nfs/dbraw/zinc/18/90/09/408189009.db2.gz INQVKKZZIGABFN-LJIGWXMPSA-N 2 1 319.449 1.236 10 0 DDAEMP CC[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000155964301 408230692 /nfs/dbraw/zinc/23/06/92/408230692.db2.gz CQOXGWQRBYSUOZ-GDBMZVCRSA-N 2 1 311.470 1.070 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000176174248 408301481 /nfs/dbraw/zinc/30/14/81/408301481.db2.gz NKVRVFBCIMSEEB-CVEARBPZSA-N 2 1 319.453 1.707 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000176174248 408301487 /nfs/dbraw/zinc/30/14/87/408301487.db2.gz NKVRVFBCIMSEEB-CVEARBPZSA-N 2 1 319.453 1.707 10 0 DDAEMP CC1CC[NH+](CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246793987 408341055 /nfs/dbraw/zinc/34/10/55/408341055.db2.gz BNQLBBSCDQZHEB-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172251326 162266827 /nfs/dbraw/zinc/26/68/27/162266827.db2.gz BPYDKJSXJXEFTK-RHSMWYFYSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000173508260 162343707 /nfs/dbraw/zinc/34/37/07/162343707.db2.gz MXVNWGYKEYSYRK-QGZVFWFLSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000247107187 408409980 /nfs/dbraw/zinc/40/99/80/408409980.db2.gz DRHSUQKRUVGYSS-KBPBESRZSA-N 2 1 320.441 1.145 10 0 DDAEMP C(CN1CC[NH+]2CCCC[C@H]2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177769435 408708659 /nfs/dbraw/zinc/70/86/59/408708659.db2.gz LSHAJUKSYISRNF-HDICACEKSA-N 2 1 306.498 1.327 10 0 DDAEMP C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000177769435 408708667 /nfs/dbraw/zinc/70/86/67/408708667.db2.gz LSHAJUKSYISRNF-HDICACEKSA-N 2 1 306.498 1.327 10 0 DDAEMP C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000177769435 408708672 /nfs/dbraw/zinc/70/86/72/408708672.db2.gz LSHAJUKSYISRNF-HDICACEKSA-N 2 1 306.498 1.327 10 0 DDAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000249747513 408762763 /nfs/dbraw/zinc/76/27/63/408762763.db2.gz OAAZYHBQECFYDP-JKSUJKDBSA-N 2 1 312.502 1.994 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000247381408 163563875 /nfs/dbraw/zinc/56/38/75/163563875.db2.gz VXLVFUWLXZMODB-APWZRJJASA-N 2 1 320.477 1.615 10 0 DDAEMP O[C@]1(CN[C@@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975470 227291053 /nfs/dbraw/zinc/29/10/53/227291053.db2.gz GVAKHYMHXOCEAV-MSOLQXFVSA-N 2 1 303.450 1.355 10 0 DDAEMP O[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000422975470 227291059 /nfs/dbraw/zinc/29/10/59/227291059.db2.gz GVAKHYMHXOCEAV-MSOLQXFVSA-N 2 1 303.450 1.355 10 0 DDAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000176592882 289299741 /nfs/dbraw/zinc/29/97/41/289299741.db2.gz YJEWLLNJUANVBF-BZUAXINKSA-N 2 1 308.470 1.739 10 0 DDAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1OC ZINC000261885436 295299626 /nfs/dbraw/zinc/29/96/26/295299626.db2.gz FVXBWDSHSQZKSH-ARFHVFGLSA-N 2 1 320.433 1.951 10 0 DDAEMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1)C(C)C ZINC000262202567 484265114 /nfs/dbraw/zinc/26/51/14/484265114.db2.gz IFZRMKRXOXUVJT-IAGOWNOFSA-N 2 1 319.449 1.227 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@H]1C(C)C ZINC000888097159 709212801 /nfs/dbraw/zinc/21/28/01/709212801.db2.gz CQAQUUQKQVVAQC-MWQQHZPXSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@H]1C(C)C ZINC000888097159 709212805 /nfs/dbraw/zinc/21/28/05/709212805.db2.gz CQAQUUQKQVVAQC-MWQQHZPXSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@H]1C(C)C ZINC000888097159 709212809 /nfs/dbraw/zinc/21/28/09/709212809.db2.gz CQAQUUQKQVVAQC-MWQQHZPXSA-N 2 1 306.454 1.678 10 0 DDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900884 282173709 /nfs/dbraw/zinc/17/37/09/282173709.db2.gz WOAUNMNFXGJIFX-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248587791 539272263 /nfs/dbraw/zinc/27/22/63/539272263.db2.gz QNSYGXZIELEXPT-YQQAZPJKSA-N 2 1 323.481 1.212 10 0 DDAEMP Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)sc1C[NH3+] ZINC000092679616 185333305 /nfs/dbraw/zinc/33/33/05/185333305.db2.gz WGUUAFIBHXJHCY-LLVKDONJSA-N 2 1 317.480 1.230 10 0 DDAEMP Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)sc1C[NH3+] ZINC000092679616 185333306 /nfs/dbraw/zinc/33/33/06/185333306.db2.gz WGUUAFIBHXJHCY-LLVKDONJSA-N 2 1 317.480 1.230 10 0 DDAEMP O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc(-c2ccccc2F)[nH]1 ZINC000073696056 191343330 /nfs/dbraw/zinc/34/33/30/191343330.db2.gz GURJOMCHMCQNSV-UHFFFAOYSA-N 2 1 316.380 1.665 10 0 DDAEMP CC(C)(C)CS(=O)(=O)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000080185626 192010475 /nfs/dbraw/zinc/01/04/75/192010475.db2.gz HZJJVCNULISWON-UHFFFAOYSA-N 2 1 305.488 1.109 10 0 DDAEMP C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000193546961 201072161 /nfs/dbraw/zinc/07/21/61/201072161.db2.gz YXTOAUFBSFABCA-JJRVBVJISA-N 2 1 301.434 1.690 10 0 DDAEMP C[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000193546961 201072164 /nfs/dbraw/zinc/07/21/64/201072164.db2.gz YXTOAUFBSFABCA-JJRVBVJISA-N 2 1 301.434 1.690 10 0 DDAEMP [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)C1 ZINC000092205050 193172723 /nfs/dbraw/zinc/17/27/23/193172723.db2.gz YXEOUHJXOYTUJM-ZIAGYGMSSA-N 2 1 305.447 1.686 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@@H]1CC[N@H+](CC)CCOC ZINC000093591215 193271409 /nfs/dbraw/zinc/27/14/09/193271409.db2.gz IAJLJYHCKFCSEM-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@@H]1CC[N@@H+](CC)CCOC ZINC000093591215 193271411 /nfs/dbraw/zinc/27/14/11/193271411.db2.gz IAJLJYHCKFCSEM-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093856799 193319536 /nfs/dbraw/zinc/31/95/36/193319536.db2.gz KZMOZAMNSBVLKH-JKSUJKDBSA-N 2 1 302.459 1.253 10 0 DDAEMP CCCCNC(=O)NC(=O)C[N@H+](CCC)CC(C)(C)C[NH3+] ZINC000093892087 193323741 /nfs/dbraw/zinc/32/37/41/193323741.db2.gz CZDGUCSLTMQPOY-UHFFFAOYSA-N 2 1 300.447 1.309 10 0 DDAEMP CCCCNC(=O)NC(=O)C[N@@H+](CCC)CC(C)(C)C[NH3+] ZINC000093892087 193323743 /nfs/dbraw/zinc/32/37/43/193323743.db2.gz CZDGUCSLTMQPOY-UHFFFAOYSA-N 2 1 300.447 1.309 10 0 DDAEMP COCC[N@@H+](CCC[NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094364638 193366145 /nfs/dbraw/zinc/36/61/45/193366145.db2.gz BWIJPOZQZATGPX-CQSZACIVSA-N 2 1 302.484 1.728 10 0 DDAEMP C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000044565304 183423184 /nfs/dbraw/zinc/42/31/84/183423184.db2.gz FZRLPBCKWSDXDB-AWEZNQCLSA-N 2 1 311.451 1.169 10 0 DDAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CCN(C)C)[NH2+]C(C)C ZINC000111145232 194395246 /nfs/dbraw/zinc/39/52/46/194395246.db2.gz NRWRGPLCACBGGN-INIZCTEOSA-N 2 1 301.475 1.580 10 0 DDAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CCN(C)C)[NH2+]C(C)C ZINC000111145232 194395247 /nfs/dbraw/zinc/39/52/47/194395247.db2.gz NRWRGPLCACBGGN-INIZCTEOSA-N 2 1 301.475 1.580 10 0 DDAEMP CCC[NH2+][C@](C)(CCC[N@H+](C)CCN(C)C)C(=O)OCC ZINC000111144992 194395534 /nfs/dbraw/zinc/39/55/34/194395534.db2.gz KFZHRWCBZSINGZ-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCN(C)C)C(=O)OCC ZINC000111144992 194395535 /nfs/dbraw/zinc/39/55/35/194395535.db2.gz KFZHRWCBZSINGZ-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000062066181 184203855 /nfs/dbraw/zinc/20/38/55/184203855.db2.gz ZLUAKPZYKHNROK-MRXNPFEDSA-N 2 1 307.413 1.858 10 0 DDAEMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1F ZINC000062066181 184203856 /nfs/dbraw/zinc/20/38/56/184203856.db2.gz ZLUAKPZYKHNROK-MRXNPFEDSA-N 2 1 307.413 1.858 10 0 DDAEMP [NH3+]Cc1ccccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062941565 184261907 /nfs/dbraw/zinc/26/19/07/184261907.db2.gz FJGVADDYLHQORG-CQSZACIVSA-N 2 1 309.435 1.004 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638303328 422815234 /nfs/dbraw/zinc/81/52/34/422815234.db2.gz YGMOPBQSFROBLA-MAUKXSAKSA-N 2 1 319.449 1.379 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000170829658 407521584 /nfs/dbraw/zinc/52/15/84/407521584.db2.gz RAAMPMJLDVKUHL-MRXNPFEDSA-N 2 1 310.486 1.987 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000170829661 407522668 /nfs/dbraw/zinc/52/26/68/407522668.db2.gz RAAMPMJLDVKUHL-INIZCTEOSA-N 2 1 310.486 1.987 10 0 DDAEMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)O2 ZINC000261892789 407657412 /nfs/dbraw/zinc/65/74/12/407657412.db2.gz GRDPTHLFOCAQPO-QBPKDAKJSA-N 2 1 302.418 1.737 10 0 DDAEMP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCOCC1 ZINC000261908875 407666728 /nfs/dbraw/zinc/66/67/28/407666728.db2.gz IQZGXZKPDLLVJN-RBSFLKMASA-N 2 1 314.495 1.645 10 0 DDAEMP [NH3+]Cc1nc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)no1 ZINC000262122948 407745126 /nfs/dbraw/zinc/74/51/26/407745126.db2.gz CHEIZRCOHOPTOU-GFCCVEGCSA-N 2 1 307.785 1.328 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OCC(C)C ZINC000263253688 408075116 /nfs/dbraw/zinc/07/51/16/408075116.db2.gz QGJKGFRQJGQIIA-CVEARBPZSA-N 2 1 322.449 1.790 10 0 DDAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000246423603 408253453 /nfs/dbraw/zinc/25/34/53/408253453.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000246423603 408253457 /nfs/dbraw/zinc/25/34/57/408253457.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000246423603 408253459 /nfs/dbraw/zinc/25/34/59/408253459.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3C=CCCC3)CC2)C1 ZINC000171746255 162239907 /nfs/dbraw/zinc/23/99/07/162239907.db2.gz OVOCKYIMYVNKMM-ZWKOTPCHSA-N 2 1 307.482 1.822 10 0 DDAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247181544 408423190 /nfs/dbraw/zinc/42/31/90/408423190.db2.gz KZIBRKBEVWTDQX-TWMKSMIVSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247181544 408423195 /nfs/dbraw/zinc/42/31/95/408423195.db2.gz KZIBRKBEVWTDQX-TWMKSMIVSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247181544 408423201 /nfs/dbraw/zinc/42/32/01/408423201.db2.gz KZIBRKBEVWTDQX-TWMKSMIVSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccccn23)CC1 ZINC000177308466 408578232 /nfs/dbraw/zinc/57/82/32/408578232.db2.gz LZVITPXUFBNTOL-OAHLLOKOSA-N 2 1 316.449 1.859 10 0 DDAEMP COc1ncccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000193336875 408714296 /nfs/dbraw/zinc/71/42/96/408714296.db2.gz HCARXDPBYYJCRY-AWEZNQCLSA-N 2 1 307.438 1.615 10 0 DDAEMP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178284470 408798854 /nfs/dbraw/zinc/79/88/54/408798854.db2.gz MXNGMTCECKKHCY-ZFWWWQNUSA-N 2 1 308.426 1.197 10 0 DDAEMP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178284470 408798857 /nfs/dbraw/zinc/79/88/57/408798857.db2.gz MXNGMTCECKKHCY-ZFWWWQNUSA-N 2 1 308.426 1.197 10 0 DDAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@@H+]1C ZINC000252646358 408806206 /nfs/dbraw/zinc/80/62/06/408806206.db2.gz GHYNOPJBSUCGNN-KBAYOESNSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@H+]1C ZINC000252646358 408806211 /nfs/dbraw/zinc/80/62/11/408806211.db2.gz GHYNOPJBSUCGNN-KBAYOESNSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1C ZINC000252646358 408806214 /nfs/dbraw/zinc/80/62/14/408806214.db2.gz GHYNOPJBSUCGNN-KBAYOESNSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1C ZINC000252646358 408806218 /nfs/dbraw/zinc/80/62/18/408806218.db2.gz GHYNOPJBSUCGNN-KBAYOESNSA-N 2 1 306.450 1.979 10 0 DDAEMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261890292 163722356 /nfs/dbraw/zinc/72/23/56/163722356.db2.gz GKODMTUGBXNOTQ-ZACQAIPSSA-N 2 1 317.433 1.293 10 0 DDAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)nc1 ZINC000262037266 698451760 /nfs/dbraw/zinc/45/17/60/698451760.db2.gz YDXUTZDFNRFHDG-YLFCFFPRSA-N 2 1 316.449 1.407 10 0 DDAEMP [NH3+]C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC000713823064 699267536 /nfs/dbraw/zinc/26/75/36/699267536.db2.gz RFGQBODJCMXVQT-IAGOWNOFSA-N 2 1 317.433 1.085 10 0 DDAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000724938670 699328392 /nfs/dbraw/zinc/32/83/92/699328392.db2.gz YGABAWZLXLIFPO-TUVJXNFZSA-N 2 1 316.445 1.902 10 0 DDAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000724938670 699328394 /nfs/dbraw/zinc/32/83/94/699328394.db2.gz YGABAWZLXLIFPO-TUVJXNFZSA-N 2 1 316.445 1.902 10 0 DDAEMP Cc1cc(N)nc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891753147 710285002 /nfs/dbraw/zinc/28/50/02/710285002.db2.gz SYOUICQALDQJCX-HNNXBMFYSA-N 2 1 313.405 1.198 10 0 DDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171896366 282173648 /nfs/dbraw/zinc/17/36/48/282173648.db2.gz FATKTGBPGJMYMV-KGLIPLIRSA-N 2 1 322.478 1.840 10 0 DDAEMP CC[C@@H](C(N)=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250179 539263271 /nfs/dbraw/zinc/26/32/71/539263271.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 2 1 310.467 1.469 10 0 DDAEMP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195250179 539263273 /nfs/dbraw/zinc/26/32/73/539263273.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 2 1 310.467 1.469 10 0 DDAEMP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195250179 539263275 /nfs/dbraw/zinc/26/32/75/539263275.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 2 1 310.467 1.469 10 0 DDAEMP Clc1ccc2c(c1)[nH+]ccc2N1CCN(C2C[NH2+]C2)CC1 ZINC000090308022 185290302 /nfs/dbraw/zinc/29/03/02/185290302.db2.gz KJFNJODAMUABQF-UHFFFAOYSA-N 2 1 302.809 1.982 10 0 DDAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)C1 ZINC000091545490 193071253 /nfs/dbraw/zinc/07/12/53/193071253.db2.gz ZUDSNQMXUVIDPA-KGLIPLIRSA-N 2 1 307.463 1.910 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)[C@@H](C)COC ZINC000093590209 193271676 /nfs/dbraw/zinc/27/16/76/193271676.db2.gz DTZXOTFIBAHCLG-SQWLQELKSA-N 2 1 300.443 1.665 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)[C@@H](C)COC ZINC000093590209 193271678 /nfs/dbraw/zinc/27/16/78/193271678.db2.gz DTZXOTFIBAHCLG-SQWLQELKSA-N 2 1 300.443 1.665 10 0 DDAEMP [NH3+]Cc1ccc(C(F)(F)F)nc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094456809 193371382 /nfs/dbraw/zinc/37/13/82/193371382.db2.gz PQENARPZUUGUHF-LLVKDONJSA-N 2 1 300.328 1.844 10 0 DDAEMP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000636281930 422774894 /nfs/dbraw/zinc/77/48/94/422774894.db2.gz CZGBQKPPPSIVIL-SQCNAZHOSA-N 2 1 318.421 1.271 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CNC(=S)N(CC[NH+](C)C)CC(C)C ZINC000043531539 183370434 /nfs/dbraw/zinc/37/04/34/183370434.db2.gz OAMLZHUGTOLKRX-HNNXBMFYSA-N 2 1 314.543 1.865 10 0 DDAEMP CN(Cc1ccco1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065434177 184344757 /nfs/dbraw/zinc/34/47/57/184344757.db2.gz MTFAZHLQWSLFEY-RDTXWAMCSA-N 2 1 317.433 1.702 10 0 DDAEMP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000247975061 257113388 /nfs/dbraw/zinc/11/33/88/257113388.db2.gz IGQZFOLUTYTEPY-GVDBMIGSSA-N 2 1 305.422 1.392 10 0 DDAEMP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105100507 407352909 /nfs/dbraw/zinc/35/29/09/407352909.db2.gz XTXIKMXQEKCFCL-MRXNPFEDSA-N 2 1 306.454 1.493 10 0 DDAEMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261694097 407581179 /nfs/dbraw/zinc/58/11/79/407581179.db2.gz JFCFEPVHKRZFJV-UAGQMJEPSA-N 2 1 303.450 1.821 10 0 DDAEMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261694097 407581182 /nfs/dbraw/zinc/58/11/82/407581182.db2.gz JFCFEPVHKRZFJV-UAGQMJEPSA-N 2 1 303.450 1.821 10 0 DDAEMP CCC[C@H](C(=O)OCC)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000114802868 407617976 /nfs/dbraw/zinc/61/79/76/407617976.db2.gz HWFRTYISJNFZPZ-GDBMZVCRSA-N 2 1 314.470 1.743 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000171588555 407709563 /nfs/dbraw/zinc/70/95/63/407709563.db2.gz IALISERXIRORQR-QAPCUYQASA-N 2 1 306.450 1.745 10 0 DDAEMP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000262258737 407776971 /nfs/dbraw/zinc/77/69/71/407776971.db2.gz JGRPESSVJRPGCC-BBRMVZONSA-N 2 1 305.422 1.973 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1C[C@H](C)O ZINC000263086857 408021167 /nfs/dbraw/zinc/02/11/67/408021167.db2.gz YBHRPMLNQVXXTJ-IVSAIRAKSA-N 2 1 311.470 1.198 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000246126166 408147553 /nfs/dbraw/zinc/14/75/53/408147553.db2.gz ANGRUYHRELSXEW-LJIGWXMPSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246126166 408147556 /nfs/dbraw/zinc/14/75/56/408147556.db2.gz ANGRUYHRELSXEW-LJIGWXMPSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000246126166 408147561 /nfs/dbraw/zinc/14/75/61/408147561.db2.gz ANGRUYHRELSXEW-LJIGWXMPSA-N 2 1 320.481 1.880 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000175940618 408246556 /nfs/dbraw/zinc/24/65/56/408246556.db2.gz NTAPCTXTNUDWPA-INIZCTEOSA-N 2 1 322.428 1.603 10 0 DDAEMP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CC ZINC000175761057 408199753 /nfs/dbraw/zinc/19/97/53/408199753.db2.gz LQOMKJQNEDQYLK-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175761057 408199758 /nfs/dbraw/zinc/19/97/58/408199758.db2.gz LQOMKJQNEDQYLK-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175761057 408199765 /nfs/dbraw/zinc/19/97/65/408199765.db2.gz LQOMKJQNEDQYLK-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000173938373 162379944 /nfs/dbraw/zinc/37/99/44/162379944.db2.gz ZZIVZIDTSYCKED-ZDUSSCGKSA-N 2 1 308.430 1.051 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000247025837 408391564 /nfs/dbraw/zinc/39/15/64/408391564.db2.gz GETJKKVGOKMCME-HOCLYGCPSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000247025837 408391565 /nfs/dbraw/zinc/39/15/65/408391565.db2.gz GETJKKVGOKMCME-HOCLYGCPSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000247025837 408391567 /nfs/dbraw/zinc/39/15/67/408391567.db2.gz GETJKKVGOKMCME-HOCLYGCPSA-N 2 1 308.470 1.739 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000178283895 408798675 /nfs/dbraw/zinc/79/86/75/408798675.db2.gz YMBGQHCFYMFAKQ-INIZCTEOSA-N 2 1 304.438 1.914 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC000178283895 408798678 /nfs/dbraw/zinc/79/86/78/408798678.db2.gz YMBGQHCFYMFAKQ-INIZCTEOSA-N 2 1 304.438 1.914 10 0 DDAEMP COC[C@]1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649281427 423718098 /nfs/dbraw/zinc/71/80/98/423718098.db2.gz IATDQUHHLORQER-SFHVURJKSA-N 2 1 319.449 1.393 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000251840843 484247509 /nfs/dbraw/zinc/24/75/09/484247509.db2.gz QLGBRFHDCWFCJI-NTZNESFSSA-N 2 1 305.344 1.224 10 0 DDAEMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262326351 484269387 /nfs/dbraw/zinc/26/93/87/484269387.db2.gz RVCMOGSXRLEEEM-IRXDYDNUSA-N 2 1 319.449 1.229 10 0 DDAEMP C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973372 533892258 /nfs/dbraw/zinc/89/22/58/533892258.db2.gz BVQVXXDVTKRSHO-SZMVWBNQSA-N 2 1 303.450 1.211 10 0 DDAEMP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973372 533892265 /nfs/dbraw/zinc/89/22/65/533892265.db2.gz BVQVXXDVTKRSHO-SZMVWBNQSA-N 2 1 303.450 1.211 10 0 DDAEMP Cc1cc2c(nc(N3CCOCC3)[nH+]c2NCCC[NH+](C)C)[nH]1 ZINC000223945879 697763046 /nfs/dbraw/zinc/76/30/46/697763046.db2.gz MAJAAEPMNRKYNQ-UHFFFAOYSA-N 2 1 318.425 1.467 10 0 DDAEMP COC1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261557805 698427908 /nfs/dbraw/zinc/42/79/08/698427908.db2.gz XOLDEPYJWJIXQA-HNNXBMFYSA-N 2 1 319.449 1.392 10 0 DDAEMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261961576 698447955 /nfs/dbraw/zinc/44/79/55/698447955.db2.gz PQBGHJBMCIZFDP-BSDSXHPESA-N 2 1 304.434 1.775 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262170140 698457813 /nfs/dbraw/zinc/45/78/13/698457813.db2.gz AQNYEKZPAJWQIC-WMLDXEAASA-N 2 1 319.449 1.508 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711382129 699257120 /nfs/dbraw/zinc/25/71/20/699257120.db2.gz DATZQWHCMJIANF-GDBMZVCRSA-N 2 1 303.450 1.869 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000092680047 185333647 /nfs/dbraw/zinc/33/36/47/185333647.db2.gz DVGIJTVYKYUFOD-UONOGXRCSA-N 2 1 305.488 1.119 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OCC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592037 193270894 /nfs/dbraw/zinc/27/08/94/193270894.db2.gz MQLCWPFCHXZMNC-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OCC)CCC[C@H]1CC[N@@H+](C)CCOC ZINC000093592037 193270895 /nfs/dbraw/zinc/27/08/95/193270895.db2.gz MQLCWPFCHXZMNC-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[C@@H](C)[NH+]1CCN(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000055082701 183962736 /nfs/dbraw/zinc/96/27/36/183962736.db2.gz FUGBYZVRDAEQQP-HUUCEWRRSA-N 2 1 317.499 1.265 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000237685690 257238766 /nfs/dbraw/zinc/23/87/66/257238766.db2.gz VPTKJXJYMDIPGI-AEGPPILISA-N 2 1 320.462 1.071 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000237685690 257238768 /nfs/dbraw/zinc/23/87/68/257238768.db2.gz VPTKJXJYMDIPGI-AEGPPILISA-N 2 1 320.462 1.071 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)C[NH+]1CCCC1 ZINC000113598035 407519169 /nfs/dbraw/zinc/51/91/69/407519169.db2.gz UWKRRGUTDYQIGI-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000170855555 407531881 /nfs/dbraw/zinc/53/18/81/407531881.db2.gz QEVDNJCWDTVNNH-SJORKVTESA-N 2 1 301.434 1.814 10 0 DDAEMP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261942328 407680797 /nfs/dbraw/zinc/68/07/97/407680797.db2.gz NAIOCLOOZWDTEV-GVDBMIGSSA-N 2 1 303.450 1.999 10 0 DDAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262022388 407714737 /nfs/dbraw/zinc/71/47/37/407714737.db2.gz OWQDAAZBSCVWMG-CTASWTNQSA-N 2 1 311.470 1.223 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2CCC(C)CC2)CC1 ZINC000153810048 407907199 /nfs/dbraw/zinc/90/71/99/407907199.db2.gz AOTAWBVIKOXDKI-KRWDZBQOSA-N 2 1 311.514 1.743 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(CN(C)CC[NH+]2CCC(C)CC2)CC1 ZINC000153810048 407907209 /nfs/dbraw/zinc/90/72/09/407907209.db2.gz AOTAWBVIKOXDKI-KRWDZBQOSA-N 2 1 311.514 1.743 10 0 DDAEMP CCC[C@@H](C(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1)[NH+](C)C ZINC000245778890 408068990 /nfs/dbraw/zinc/06/89/90/408068990.db2.gz LXNKFYRDRXEWQG-HOTGVXAUSA-N 2 1 313.486 1.676 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000263236105 408071303 /nfs/dbraw/zinc/07/13/03/408071303.db2.gz OAVCUENOELTXPL-BXUZGUMPSA-N 2 1 306.797 1.400 10 0 DDAEMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263285458 408090234 /nfs/dbraw/zinc/09/02/34/408090234.db2.gz UYLJNJTWZVFYQR-PWSUYJOCSA-N 2 1 315.211 1.128 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2CC)C1 ZINC000246476800 408266665 /nfs/dbraw/zinc/26/66/65/408266665.db2.gz VOYZMEJATMSQQK-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)C1 ZINC000246476800 408266671 /nfs/dbraw/zinc/26/66/71/408266671.db2.gz VOYZMEJATMSQQK-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)C1 ZINC000246476800 408266674 /nfs/dbraw/zinc/26/66/74/408266674.db2.gz VOYZMEJATMSQQK-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000246310517 408217050 /nfs/dbraw/zinc/21/70/50/408217050.db2.gz NPMCEYSENASSPF-FMKPAKJESA-N 2 1 308.470 1.737 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000246310517 408217055 /nfs/dbraw/zinc/21/70/55/408217055.db2.gz NPMCEYSENASSPF-FMKPAKJESA-N 2 1 308.470 1.737 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000246310517 408217061 /nfs/dbraw/zinc/21/70/61/408217061.db2.gz NPMCEYSENASSPF-FMKPAKJESA-N 2 1 308.470 1.737 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171904956 162245970 /nfs/dbraw/zinc/24/59/70/162245970.db2.gz RFCAKBHTFWJZHQ-JKSUJKDBSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172494076 162277858 /nfs/dbraw/zinc/27/78/58/162277858.db2.gz YUUZICXCFKBHCQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172494076 162277861 /nfs/dbraw/zinc/27/78/61/162277861.db2.gz YUUZICXCFKBHCQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172494076 162277863 /nfs/dbraw/zinc/27/78/63/162277863.db2.gz YUUZICXCFKBHCQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP CCOCCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC000246984637 408381235 /nfs/dbraw/zinc/38/12/35/408381235.db2.gz FSFBVYZCDWDFST-HOTGVXAUSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176588359 408398533 /nfs/dbraw/zinc/39/85/33/408398533.db2.gz PNOJGMLTTVINNB-OWCLPIDISA-N 2 1 310.486 1.985 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000247093640 408406255 /nfs/dbraw/zinc/40/62/55/408406255.db2.gz JNYUQDZNPLOIRJ-GDBMZVCRSA-N 2 1 310.486 1.698 10 0 DDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000247370798 408459781 /nfs/dbraw/zinc/45/97/81/408459781.db2.gz FATKTGBPGJMYMV-KBPBESRZSA-N 2 1 322.478 1.840 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000247510599 408484969 /nfs/dbraw/zinc/48/49/69/408484969.db2.gz PMHFCEUTOIUICM-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247520419 408485623 /nfs/dbraw/zinc/48/56/23/408485623.db2.gz ZCHSIUHYGQSZGU-BZUAXINKSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247520419 408485629 /nfs/dbraw/zinc/48/56/29/408485629.db2.gz ZCHSIUHYGQSZGU-BZUAXINKSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247520419 408485632 /nfs/dbraw/zinc/48/56/32/408485632.db2.gz ZCHSIUHYGQSZGU-BZUAXINKSA-N 2 1 310.486 1.889 10 0 DDAEMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000247563936 408493169 /nfs/dbraw/zinc/49/31/69/408493169.db2.gz VHOKOZLIPQMLRA-LSDHHAIUSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[C@](C)(O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000161813075 408643523 /nfs/dbraw/zinc/64/35/23/408643523.db2.gz LNVBCNVZAJJLOA-KRWDZBQOSA-N 2 1 311.470 1.024 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCN3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000249087005 408689056 /nfs/dbraw/zinc/68/90/56/408689056.db2.gz UCFSXEMCXFLDBS-DLBZAZTESA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCN3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000249087005 408689062 /nfs/dbraw/zinc/68/90/62/408689062.db2.gz UCFSXEMCXFLDBS-DLBZAZTESA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000178315306 408803928 /nfs/dbraw/zinc/80/39/28/408803928.db2.gz CULJRQBVAWIKPM-GXTWGEPZSA-N 2 1 321.425 1.279 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000178315306 408803933 /nfs/dbraw/zinc/80/39/33/408803933.db2.gz CULJRQBVAWIKPM-GXTWGEPZSA-N 2 1 321.425 1.279 10 0 DDAEMP COC[C@]1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787879 423343035 /nfs/dbraw/zinc/34/30/35/423343035.db2.gz JXTKMCGPKBPOSV-YJBOKZPZSA-N 2 1 319.449 1.392 10 0 DDAEMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261920672 275868937 /nfs/dbraw/zinc/86/89/37/275868937.db2.gz KGKCCHSBBHMDQX-GVDBMIGSSA-N 2 1 323.481 1.380 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119114701 281090646 /nfs/dbraw/zinc/09/06/46/281090646.db2.gz ZQMQPTYKNWMGAX-RDHHWEPZSA-N 2 1 322.497 1.985 10 0 DDAEMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261837555 289003497 /nfs/dbraw/zinc/00/34/97/289003497.db2.gz ABHSUSQLLQKYMZ-JJTUDDRGSA-N 2 1 323.481 1.380 10 0 DDAEMP C[C@]1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)COC[C@@H]1[NH3+] ZINC000090606410 185306282 /nfs/dbraw/zinc/30/62/82/185306282.db2.gz DLVMOIVLQQJJPF-HOTGVXAUSA-N 2 1 309.841 1.826 10 0 DDAEMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH2+]1 ZINC000262365205 291045523 /nfs/dbraw/zinc/04/55/23/291045523.db2.gz KZSWSTQERCPLTM-LLLHUVSDSA-N 2 1 301.434 1.936 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638300087 422813161 /nfs/dbraw/zinc/81/31/61/422813161.db2.gz DWANXQPWLITJHA-WMLDXEAASA-N 2 1 305.422 1.002 10 0 DDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105129554 407352522 /nfs/dbraw/zinc/35/25/22/407352522.db2.gz GYNQMKWACYYZLS-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000113605694 407518811 /nfs/dbraw/zinc/51/88/11/407518811.db2.gz ITBAVCVTDSBHHD-IXDOHACOSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000261814965 407625853 /nfs/dbraw/zinc/62/58/53/407625853.db2.gz RWWBDBWWMAWKFX-IKGGRYGDSA-N 2 1 301.434 1.670 10 0 DDAEMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000261814965 407625855 /nfs/dbraw/zinc/62/58/55/407625855.db2.gz RWWBDBWWMAWKFX-IKGGRYGDSA-N 2 1 301.434 1.670 10 0 DDAEMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262006994 407709103 /nfs/dbraw/zinc/70/91/03/407709103.db2.gz VEOAXDZOZOZERZ-OAGGEKHMSA-N 2 1 304.438 1.394 10 0 DDAEMP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000262033386 407716473 /nfs/dbraw/zinc/71/64/73/407716473.db2.gz OGSGOIWTJWDGHV-QGZVFWFLSA-N 2 1 305.470 1.279 10 0 DDAEMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000262033386 407716482 /nfs/dbraw/zinc/71/64/82/407716482.db2.gz OGSGOIWTJWDGHV-QGZVFWFLSA-N 2 1 305.470 1.279 10 0 DDAEMP c1cc2c(c(CN[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905788 407662656 /nfs/dbraw/zinc/66/26/56/407662656.db2.gz IETXIHWDEGIWTP-ZNMIVQPWSA-N 2 1 304.390 1.662 10 0 DDAEMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905788 407662658 /nfs/dbraw/zinc/66/26/58/407662658.db2.gz IETXIHWDEGIWTP-ZNMIVQPWSA-N 2 1 304.390 1.662 10 0 DDAEMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000262346565 407805296 /nfs/dbraw/zinc/80/52/96/407805296.db2.gz UVJDIJISNQKIRY-INIZCTEOSA-N 2 1 301.434 1.759 10 0 DDAEMP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000245416304 407970508 /nfs/dbraw/zinc/97/05/08/407970508.db2.gz FAYNUZNFBLZYTD-OWCLPIDISA-N 2 1 311.470 1.164 10 0 DDAEMP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000245416304 407970512 /nfs/dbraw/zinc/97/05/12/407970512.db2.gz FAYNUZNFBLZYTD-OWCLPIDISA-N 2 1 311.470 1.164 10 0 DDAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000263222638 408064505 /nfs/dbraw/zinc/06/45/05/408064505.db2.gz MEYOKZJOGVZKNY-PWSUYJOCSA-N 2 1 315.211 1.128 10 0 DDAEMP CCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OCC ZINC000263275154 408084069 /nfs/dbraw/zinc/08/40/69/408084069.db2.gz SSLLESTXNNEWQM-CABCVRRESA-N 2 1 308.422 1.544 10 0 DDAEMP C[N@@H+](CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1)C1CCCC1 ZINC000246461605 408262363 /nfs/dbraw/zinc/26/23/63/408262363.db2.gz PRJTXFISJOEIIQ-INIZCTEOSA-N 2 1 308.470 1.741 10 0 DDAEMP C[NH+](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C1CCCC1 ZINC000246461605 408262370 /nfs/dbraw/zinc/26/23/70/408262370.db2.gz PRJTXFISJOEIIQ-INIZCTEOSA-N 2 1 308.470 1.741 10 0 DDAEMP C[NH+](CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C1CCCC1 ZINC000246461605 408262377 /nfs/dbraw/zinc/26/23/77/408262377.db2.gz PRJTXFISJOEIIQ-INIZCTEOSA-N 2 1 308.470 1.741 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247095380 408406333 /nfs/dbraw/zinc/40/63/33/408406333.db2.gz JRDBTQWUNYXIEL-PMPSAXMXSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247095380 408406339 /nfs/dbraw/zinc/40/63/39/408406339.db2.gz JRDBTQWUNYXIEL-PMPSAXMXSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247095380 408406342 /nfs/dbraw/zinc/40/63/42/408406342.db2.gz JRDBTQWUNYXIEL-PMPSAXMXSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000177319060 408580566 /nfs/dbraw/zinc/58/05/66/408580566.db2.gz LNOKIVMUHVCEDA-CVEARBPZSA-N 2 1 310.486 1.890 10 0 DDAEMP C(=C/CN1CC[N@H+]2CCC[C@@H]2C1)\CN1CC[NH+]2CCC[C@@H]2C1 ZINC000179527779 162731741 /nfs/dbraw/zinc/73/17/41/162731741.db2.gz SBCUBXAPHHRWMN-ZHEVZCJESA-N 2 1 304.482 1.103 10 0 DDAEMP C[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000249608353 408750628 /nfs/dbraw/zinc/75/06/28/408750628.db2.gz RROVQHFBFNYOIH-MAUKXSAKSA-N 2 1 306.450 1.745 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837240 423150980 /nfs/dbraw/zinc/15/09/80/423150980.db2.gz YIUOTHUZBGHLQK-OIISXLGYSA-N 2 1 301.434 1.480 10 0 DDAEMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637532512 422263641 /nfs/dbraw/zinc/26/36/41/422263641.db2.gz GFIXYROLBNRDRS-KBPBESRZSA-N 2 1 305.426 1.181 10 0 DDAEMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637532512 422263645 /nfs/dbraw/zinc/26/36/45/422263645.db2.gz GFIXYROLBNRDRS-KBPBESRZSA-N 2 1 305.426 1.181 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000246566523 278272056 /nfs/dbraw/zinc/27/20/56/278272056.db2.gz ZUAICBDGVOLJDG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000262070893 484261303 /nfs/dbraw/zinc/26/13/03/484261303.db2.gz CDHMANULTMWERO-CRAIPNDOSA-N 2 1 313.401 1.331 10 0 DDAEMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[NH2+]C)cc2F)CC1 ZINC000261731961 698435408 /nfs/dbraw/zinc/43/54/08/698435408.db2.gz LRFDXTNJTZBNNA-ZDUSSCGKSA-N 2 1 322.428 1.305 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261874503 698442260 /nfs/dbraw/zinc/44/22/60/698442260.db2.gz DLSOIRMAXGJGQG-QBPKDAKJSA-N 2 1 308.397 1.606 10 0 DDAEMP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000092626612 185329695 /nfs/dbraw/zinc/32/96/95/185329695.db2.gz CGIWGGWOHBSYGN-OAHLLOKOSA-N 2 1 311.451 1.001 10 0 DDAEMP C[NH2+]Cc1sccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092678608 185333421 /nfs/dbraw/zinc/33/34/21/185333421.db2.gz OXBWLSCIFLNWLM-NSHDSACASA-N 2 1 317.480 1.182 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000157544947 290729406 /nfs/dbraw/zinc/72/94/06/290729406.db2.gz KBKYRUANOGJYTE-KGLIPLIRSA-N 2 1 309.458 1.857 10 0 DDAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000245412715 354352716 /nfs/dbraw/zinc/35/27/16/354352716.db2.gz AWOJCUNHUKAACV-DOTOQJQBSA-N 2 1 301.434 1.816 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000245412715 354352721 /nfs/dbraw/zinc/35/27/21/354352721.db2.gz AWOJCUNHUKAACV-DOTOQJQBSA-N 2 1 301.434 1.816 10 0 DDAEMP CC(C)CS(=O)(=O)N1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000080185638 192010249 /nfs/dbraw/zinc/01/02/49/192010249.db2.gz JVQIITODCMWLFC-UHFFFAOYSA-N 2 1 305.488 1.109 10 0 DDAEMP CCC(CC)[N@H+](CCOC)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321438 193041022 /nfs/dbraw/zinc/04/10/22/193041022.db2.gz QVVDJJFECIOTIK-CQSZACIVSA-N 2 1 301.475 1.756 10 0 DDAEMP CCC(CC)[N@@H+](CCOC)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321438 193041025 /nfs/dbraw/zinc/04/10/25/193041025.db2.gz QVVDJJFECIOTIK-CQSZACIVSA-N 2 1 301.475 1.756 10 0 DDAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(=O)n3ccsc3n2)CC1 ZINC000091873164 193121286 /nfs/dbraw/zinc/12/12/86/193121286.db2.gz SZPSNXWDIRWARQ-UHFFFAOYSA-N 2 1 306.435 1.718 10 0 DDAEMP [NH3+][C@H]1CCC[C@H]1CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555760 193267167 /nfs/dbraw/zinc/26/71/67/193267167.db2.gz MBNBWLCLGXNVOB-UWVGGRQHSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@H]1CCC[C@H]1CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555760 193267169 /nfs/dbraw/zinc/26/71/69/193267169.db2.gz MBNBWLCLGXNVOB-UWVGGRQHSA-N 2 1 303.332 1.630 10 0 DDAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@@H]1CC[N@H+](C)[C@@H](C)COC ZINC000093590296 193271184 /nfs/dbraw/zinc/27/11/84/193271184.db2.gz XNVIJPTVRJKULB-LZWOXQAQSA-N 2 1 300.443 1.665 10 0 DDAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@@H]1CC[N@@H+](C)[C@@H](C)COC ZINC000093590296 193271186 /nfs/dbraw/zinc/27/11/86/193271186.db2.gz XNVIJPTVRJKULB-LZWOXQAQSA-N 2 1 300.443 1.665 10 0 DDAEMP CCC[NH2+]CCCS(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094445668 193371475 /nfs/dbraw/zinc/37/14/75/193371475.db2.gz OIQHLKSTNPGNGO-GJZGRUSLSA-N 2 1 317.499 1.265 10 0 DDAEMP CCC[NH2+]CCCS(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094445668 193371476 /nfs/dbraw/zinc/37/14/76/193371476.db2.gz OIQHLKSTNPGNGO-GJZGRUSLSA-N 2 1 317.499 1.265 10 0 DDAEMP C[NH+]1CCN([C@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022163887 182312214 /nfs/dbraw/zinc/31/22/14/182312214.db2.gz RAXJYHUSCKRVAB-CYBMUJFWSA-N 2 1 316.218 1.835 10 0 DDAEMP C[NH+](C)CCC[N@@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000111137472 194394615 /nfs/dbraw/zinc/39/46/15/194394615.db2.gz RXGMSJKZTCNVJA-UHFFFAOYSA-N 2 1 309.479 1.973 10 0 DDAEMP CCOCC[N@@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000111122093 194392190 /nfs/dbraw/zinc/39/21/90/194392190.db2.gz CWACPNJCDPBOJL-INIZCTEOSA-N 2 1 301.475 1.757 10 0 DDAEMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000063178212 184276613 /nfs/dbraw/zinc/27/66/13/184276613.db2.gz RJNUKLIHKHUTSY-LBPRGKRZSA-N 2 1 311.813 1.333 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000261894467 407660038 /nfs/dbraw/zinc/66/00/38/407660038.db2.gz GZQOVBMWHXOWPK-JHJVBQTASA-N 2 1 309.376 1.227 10 0 DDAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261929949 407677897 /nfs/dbraw/zinc/67/78/97/407677897.db2.gz WCCBAZHEKNQEKA-CYBMUJFWSA-N 2 1 306.410 1.117 10 0 DDAEMP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261974354 407698541 /nfs/dbraw/zinc/69/85/41/407698541.db2.gz QXSHKKSGHMXVFI-NUEKZKHPSA-N 2 1 308.397 1.951 10 0 DDAEMP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1CC ZINC000245430422 407977593 /nfs/dbraw/zinc/97/75/93/407977593.db2.gz LQOMKJQNEDQYLK-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245430422 407977601 /nfs/dbraw/zinc/97/76/01/407977601.db2.gz LQOMKJQNEDQYLK-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245430422 407977611 /nfs/dbraw/zinc/97/76/11/407977611.db2.gz LQOMKJQNEDQYLK-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000246110514 408145139 /nfs/dbraw/zinc/14/51/39/408145139.db2.gz POZQJOWPFXHLRZ-SJORKVTESA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000246110514 408145146 /nfs/dbraw/zinc/14/51/46/408145146.db2.gz POZQJOWPFXHLRZ-SJORKVTESA-N 2 1 318.465 1.845 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176323181 408338402 /nfs/dbraw/zinc/33/84/02/408338402.db2.gz KDEWCUITBDHJDN-INIZCTEOSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247352254 408457801 /nfs/dbraw/zinc/45/78/01/408457801.db2.gz OBJHXOYTGZMDMI-BZUAXINKSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000247352254 408457807 /nfs/dbraw/zinc/45/78/07/408457807.db2.gz OBJHXOYTGZMDMI-BZUAXINKSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000247352254 408457810 /nfs/dbraw/zinc/45/78/10/408457810.db2.gz OBJHXOYTGZMDMI-BZUAXINKSA-N 2 1 310.486 1.746 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@@H]1C ZINC000161735596 408633657 /nfs/dbraw/zinc/63/36/57/408633657.db2.gz VVCDJTIRRHPLRW-LSDHHAIUSA-N 2 1 320.437 1.015 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC(=O)N(C)CC(F)(F)F ZINC000178318996 408804951 /nfs/dbraw/zinc/80/49/51/408804951.db2.gz YQKWBDQNQSIHBJ-LBPRGKRZSA-N 2 1 318.343 1.677 10 0 DDAEMP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+](C)C)CCC[N@H+]1C1CC1 ZINC000347899501 410781622 /nfs/dbraw/zinc/78/16/22/410781622.db2.gz ILCROWMLQUEBMB-SUMWQHHRSA-N 2 1 319.453 1.013 10 0 DDAEMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649335557 423761267 /nfs/dbraw/zinc/76/12/67/423761267.db2.gz JPNJTDNBAGIRSI-IRXDYDNUSA-N 2 1 317.433 1.003 10 0 DDAEMP CC(C)[C@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246987590 276014502 /nfs/dbraw/zinc/01/45/02/276014502.db2.gz AUNBRDCGIUKTKT-GJZGRUSLSA-N 2 1 313.486 1.172 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)C[NH+]1CCCC1 ZINC000247499118 278201888 /nfs/dbraw/zinc/20/18/88/278201888.db2.gz UWKRRGUTDYQIGI-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000246988085 282027007 /nfs/dbraw/zinc/02/70/07/282027007.db2.gz QJALYBWNYNTFKE-OFQRWUPVSA-N 2 1 308.470 1.737 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246988085 282027013 /nfs/dbraw/zinc/02/70/13/282027013.db2.gz QJALYBWNYNTFKE-OFQRWUPVSA-N 2 1 308.470 1.737 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000246988085 282027015 /nfs/dbraw/zinc/02/70/15/282027015.db2.gz QJALYBWNYNTFKE-OFQRWUPVSA-N 2 1 308.470 1.737 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000333860836 289046568 /nfs/dbraw/zinc/04/65/68/289046568.db2.gz RZWOIXVPAHJSSP-LVQVYYBASA-N 2 1 324.469 1.009 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C[C@@H]12 ZINC000262566276 295321468 /nfs/dbraw/zinc/32/14/68/295321468.db2.gz WRTPLEZZHWVRLB-UTSKFRMZSA-N 2 1 305.466 1.837 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C[C@@H]12 ZINC000262566276 295321469 /nfs/dbraw/zinc/32/14/69/295321469.db2.gz WRTPLEZZHWVRLB-UTSKFRMZSA-N 2 1 305.466 1.837 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588234 699250392 /nfs/dbraw/zinc/25/03/92/699250392.db2.gz AULHDUYJTYVXEO-CRYBEJKASA-N 2 1 301.434 1.608 10 0 DDAEMP COCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000888097604 709212769 /nfs/dbraw/zinc/21/27/69/709212769.db2.gz KWEYVNPOCKPKLU-BDXSIMOUSA-N 2 1 322.449 1.995 10 0 DDAEMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000186724927 282181494 /nfs/dbraw/zinc/18/14/94/282181494.db2.gz YHLUCKOZEWJTFG-KRWDZBQOSA-N 2 1 303.450 1.712 10 0 DDAEMP C[NH2+]Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c(C)o1 ZINC000092679179 185333470 /nfs/dbraw/zinc/33/34/70/185333470.db2.gz VRXPYXJYTITIDT-GFCCVEGCSA-N 2 1 315.439 1.022 10 0 DDAEMP CC[NH2+][C@@](C)(CO)CCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000070337510 190881976 /nfs/dbraw/zinc/88/19/76/190881976.db2.gz UTKDJZVLPGOTML-CYBMUJFWSA-N 2 1 311.392 1.307 10 0 DDAEMP [NH3+]C1CCC(C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000081525615 192283903 /nfs/dbraw/zinc/28/39/03/192283903.db2.gz ZRRDGCMECLFJFQ-UHFFFAOYSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+]C1CCC(C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000081525615 192283906 /nfs/dbraw/zinc/28/39/06/192283906.db2.gz ZRRDGCMECLFJFQ-UHFFFAOYSA-N 2 1 303.332 1.630 10 0 DDAEMP CSC1(C[NH3+])CCN(c2[nH+]c(C)cc(C)c2C(N)=O)CC1 ZINC000091470769 193060628 /nfs/dbraw/zinc/06/06/28/193060628.db2.gz FXIUMKASMZARSH-UHFFFAOYSA-N 2 1 308.451 1.458 10 0 DDAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1nc2sccn2c1C[NH3+] ZINC000094446590 193371605 /nfs/dbraw/zinc/37/16/05/193371605.db2.gz FEQCBNVBFKLZLM-VXGBXAGGSA-N 2 1 305.451 1.918 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000173845138 248349100 /nfs/dbraw/zinc/34/91/00/248349100.db2.gz MJJLYYQDSHIUFK-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038858486 183012470 /nfs/dbraw/zinc/01/24/70/183012470.db2.gz DTPBTBUVEBIXTN-MRXNPFEDSA-N 2 1 319.424 1.812 10 0 DDAEMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038858486 183012473 /nfs/dbraw/zinc/01/24/73/183012473.db2.gz DTPBTBUVEBIXTN-MRXNPFEDSA-N 2 1 319.424 1.812 10 0 DDAEMP C[NH+]1CCN(C[C@@H]2OC[C@H]3CC[N@@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000248029607 257111219 /nfs/dbraw/zinc/11/12/19/257111219.db2.gz KVWKQFXHBZMXJE-NXHRZFHOSA-N 2 1 319.449 1.364 10 0 DDAEMP CN1CC[NH+](C[C@@H]2OC[C@H]3CC[N@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000248029607 257111221 /nfs/dbraw/zinc/11/12/21/257111221.db2.gz KVWKQFXHBZMXJE-NXHRZFHOSA-N 2 1 319.449 1.364 10 0 DDAEMP CN1CC[NH+](C[C@@H]2OC[C@H]3CC[N@@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000248029607 257111222 /nfs/dbraw/zinc/11/12/22/257111222.db2.gz KVWKQFXHBZMXJE-NXHRZFHOSA-N 2 1 319.449 1.364 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@H]12 ZINC000261639686 407563207 /nfs/dbraw/zinc/56/32/07/407563207.db2.gz IMWZWQWUTAPBHE-AEGPPILISA-N 2 1 307.825 1.625 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@H]12 ZINC000261639686 407563214 /nfs/dbraw/zinc/56/32/14/407563214.db2.gz IMWZWQWUTAPBHE-AEGPPILISA-N 2 1 307.825 1.625 10 0 DDAEMP CC[N@@H+](CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106915084 407366708 /nfs/dbraw/zinc/36/67/08/407366708.db2.gz IZOFKNPQMSSLSY-QGZVFWFLSA-N 2 1 303.450 1.760 10 0 DDAEMP CN(C[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000261929402 407675629 /nfs/dbraw/zinc/67/56/29/407675629.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CCC[NH2+]C3)CCCN2C)cn1 ZINC000261929402 407675632 /nfs/dbraw/zinc/67/56/32/407675632.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CCC[NH2+]C3)CCCN2C)cn1 ZINC000261929402 407675634 /nfs/dbraw/zinc/67/56/34/407675634.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 2 1 319.497 1.734 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262369866 407814786 /nfs/dbraw/zinc/81/47/86/407814786.db2.gz WAGRGUZXMGCNSH-PELKAZGASA-N 2 1 317.311 1.480 10 0 DDAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000237955609 407854627 /nfs/dbraw/zinc/85/46/27/407854627.db2.gz DWHDOKCANBJKQG-DLBZAZTESA-N 2 1 301.434 1.501 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000263223669 408064671 /nfs/dbraw/zinc/06/46/71/408064671.db2.gz MLSHIVQLUVGJEK-NEPJUHHUSA-N 2 1 304.312 1.298 10 0 DDAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1Br ZINC000263222640 408065193 /nfs/dbraw/zinc/06/51/93/408065193.db2.gz MEYOKZJOGVZKNY-ZYHUDNBSSA-N 2 1 315.211 1.128 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281674 408090755 /nfs/dbraw/zinc/09/07/55/408090755.db2.gz UIUPOIFYTWXXOT-DWBSNAHUSA-N 2 1 315.461 1.352 10 0 DDAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246018147 408122669 /nfs/dbraw/zinc/12/26/69/408122669.db2.gz NIXWTLWHNHWFKY-LSDHHAIUSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@H](C)C1 ZINC000246517067 408280551 /nfs/dbraw/zinc/28/05/51/408280551.db2.gz UOQDLGQPPFPGPU-PMPSAXMXSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246517067 408280558 /nfs/dbraw/zinc/28/05/58/408280558.db2.gz UOQDLGQPPFPGPU-PMPSAXMXSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246517067 408280563 /nfs/dbraw/zinc/28/05/63/408280563.db2.gz UOQDLGQPPFPGPU-PMPSAXMXSA-N 2 1 310.486 1.842 10 0 DDAEMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151297084 408291356 /nfs/dbraw/zinc/29/13/56/408291356.db2.gz HZBGLDSHSSCXRN-ZWKOTPCHSA-N 2 1 306.450 1.681 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000246815643 408347128 /nfs/dbraw/zinc/34/71/28/408347128.db2.gz DJBPNNYKRIPGDN-HZPDHXFCSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000246815643 408347135 /nfs/dbraw/zinc/34/71/35/408347135.db2.gz DJBPNNYKRIPGDN-HZPDHXFCSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000246815643 408347140 /nfs/dbraw/zinc/34/71/40/408347140.db2.gz DJBPNNYKRIPGDN-HZPDHXFCSA-N 2 1 310.486 1.748 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000247087836 408406727 /nfs/dbraw/zinc/40/67/27/408406727.db2.gz JKQDIWQDUUBFCL-FMKPAKJESA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000247087836 408406730 /nfs/dbraw/zinc/40/67/30/408406730.db2.gz JKQDIWQDUUBFCL-FMKPAKJESA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247087836 408406736 /nfs/dbraw/zinc/40/67/36/408406736.db2.gz JKQDIWQDUUBFCL-FMKPAKJESA-N 2 1 308.470 1.499 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247478353 408477681 /nfs/dbraw/zinc/47/76/81/408477681.db2.gz SKXCELWNWASULD-PVAVHDDUSA-N 2 1 301.434 1.984 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247478353 408477683 /nfs/dbraw/zinc/47/76/83/408477683.db2.gz SKXCELWNWASULD-PVAVHDDUSA-N 2 1 301.434 1.984 10 0 DDAEMP Cc1c[nH+]ccc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000192568651 163227662 /nfs/dbraw/zinc/22/76/62/163227662.db2.gz QNPKZWQTPQODSX-QGZVFWFLSA-N 2 1 318.465 1.621 10 0 DDAEMP CC(C)c1nnc2n1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000193088922 163247650 /nfs/dbraw/zinc/24/76/50/163247650.db2.gz NNTLVBUAQPJUPP-FFHGMXDLSA-N 2 1 303.454 1.931 10 0 DDAEMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000190891260 222091915 /nfs/dbraw/zinc/09/19/15/222091915.db2.gz GRADRPMIKZXAGS-HPUBIQBYSA-N 2 1 312.454 1.354 10 0 DDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000291181844 222203015 /nfs/dbraw/zinc/20/30/15/222203015.db2.gz OGOWIWKOBZNRLW-NZSAHSFTSA-N 2 1 317.477 1.960 10 0 DDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000291181844 222203018 /nfs/dbraw/zinc/20/30/18/222203018.db2.gz OGOWIWKOBZNRLW-NZSAHSFTSA-N 2 1 317.477 1.960 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc(Cl)c1OC ZINC000262143636 484263798 /nfs/dbraw/zinc/26/37/98/484263798.db2.gz PYZXEBPLCFZZGT-DGCLKSJQSA-N 2 1 314.813 1.417 10 0 DDAEMP O[C@@]1(CN[C@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975473 534421238 /nfs/dbraw/zinc/42/12/38/534421238.db2.gz GVAKHYMHXOCEAV-ZWKOTPCHSA-N 2 1 303.450 1.355 10 0 DDAEMP O[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000422975473 534421245 /nfs/dbraw/zinc/42/12/45/534421245.db2.gz GVAKHYMHXOCEAV-ZWKOTPCHSA-N 2 1 303.450 1.355 10 0 DDAEMP O=c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH]1 ZINC000073696041 527479727 /nfs/dbraw/zinc/47/97/27/527479727.db2.gz PPTTZEQCDWEIES-GFCCVEGCSA-N 2 1 316.380 1.665 10 0 DDAEMP COC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551142 698427363 /nfs/dbraw/zinc/42/73/63/698427363.db2.gz QESUCFUKCULGQS-MAUKXSAKSA-N 2 1 319.449 1.249 10 0 DDAEMP Cc1cc[nH+]c(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262126011 698455779 /nfs/dbraw/zinc/45/57/79/698455779.db2.gz LAQKTQKCLPSLNF-HUUCEWRRSA-N 2 1 302.422 1.475 10 0 DDAEMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C(N)=S ZINC000087832651 185232740 /nfs/dbraw/zinc/23/27/40/185232740.db2.gz XEVBLSPAQAJCES-CYBMUJFWSA-N 2 1 307.463 1.713 10 0 DDAEMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C(N)=S ZINC000087832651 185232741 /nfs/dbraw/zinc/23/27/41/185232741.db2.gz XEVBLSPAQAJCES-CYBMUJFWSA-N 2 1 307.463 1.713 10 0 DDAEMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C(N)=S ZINC000087832651 185232742 /nfs/dbraw/zinc/23/27/42/185232742.db2.gz XEVBLSPAQAJCES-CYBMUJFWSA-N 2 1 307.463 1.713 10 0 DDAEMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C(N)=S ZINC000087832651 185232743 /nfs/dbraw/zinc/23/27/43/185232743.db2.gz XEVBLSPAQAJCES-CYBMUJFWSA-N 2 1 307.463 1.713 10 0 DDAEMP CC[NH2+]CCCCS(=O)(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000092680062 185333547 /nfs/dbraw/zinc/33/35/47/185333547.db2.gz MCZDCHKGJIUWDQ-CQSZACIVSA-N 2 1 305.488 1.122 10 0 DDAEMP C[NH2+]Cc1csc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000092679845 185333628 /nfs/dbraw/zinc/33/36/28/185333628.db2.gz KMUZDFOTPBNUJN-LBPRGKRZSA-N 2 1 317.480 1.182 10 0 DDAEMP C[NH2+]Cc1csc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000092679845 185333629 /nfs/dbraw/zinc/33/36/29/185333629.db2.gz KMUZDFOTPBNUJN-LBPRGKRZSA-N 2 1 317.480 1.182 10 0 DDAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000262659066 282293521 /nfs/dbraw/zinc/29/35/21/282293521.db2.gz FJUYKSZGKVTWQL-WCVJEAGWSA-N 2 1 311.470 1.367 10 0 DDAEMP [NH3+]C[C@@H](c1ccc(Br)o1)N1CC[NH+](C2CC2)CC1 ZINC000042489802 183276230 /nfs/dbraw/zinc/27/62/30/183276230.db2.gz DNPVUHXKQHXRCP-NSHDSACASA-N 2 1 314.227 1.822 10 0 DDAEMP Cn1cncc1C[N@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCOCC3)[C@@H]2C1 ZINC000248023861 257110287 /nfs/dbraw/zinc/11/02/87/257110287.db2.gz IVUSZUAVJLWKBV-RYRKJORJSA-N 2 1 318.465 1.600 10 0 DDAEMP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638300960 422814035 /nfs/dbraw/zinc/81/40/35/422814035.db2.gz IIENKJFEBNQKNK-HFTRVMKXSA-N 2 1 319.449 1.390 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000123366305 407326968 /nfs/dbraw/zinc/32/69/68/407326968.db2.gz DJBPNNYKRIPGDN-JKSUJKDBSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000123366305 407326969 /nfs/dbraw/zinc/32/69/69/407326969.db2.gz DJBPNNYKRIPGDN-JKSUJKDBSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000123366305 407326970 /nfs/dbraw/zinc/32/69/70/407326970.db2.gz DJBPNNYKRIPGDN-JKSUJKDBSA-N 2 1 310.486 1.748 10 0 DDAEMP C[C@H](CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000178861217 407630723 /nfs/dbraw/zinc/63/07/23/407630723.db2.gz XHMJNCCPCDKMHD-YYIAUSFCSA-N 2 1 323.481 1.191 10 0 DDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261911213 407667200 /nfs/dbraw/zinc/66/72/00/407667200.db2.gz JAGOYGIXBMJWNN-IGKNDFSCSA-N 2 1 309.498 1.996 10 0 DDAEMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261914384 407668412 /nfs/dbraw/zinc/66/84/12/407668412.db2.gz JMHMSXOQTZWNKH-IPMKNSEASA-N 3 1 317.477 1.995 10 0 DDAEMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261924700 407674519 /nfs/dbraw/zinc/67/45/19/407674519.db2.gz KVFJBNSKXRYZCQ-BZUAXINKSA-N 2 1 304.438 1.394 10 0 DDAEMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261932208 407678208 /nfs/dbraw/zinc/67/82/08/407678208.db2.gz LUDKWNFEVNGUJU-KURKYZTESA-N 2 1 317.433 1.892 10 0 DDAEMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261990091 407705919 /nfs/dbraw/zinc/70/59/19/407705919.db2.gz SNCJQIKRZILIEC-KURKYZTESA-N 2 1 317.433 1.892 10 0 DDAEMP O=C(NC[C@@H]1CCCN(c2cc[nH+]cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000262043106 407723363 /nfs/dbraw/zinc/72/33/63/407723363.db2.gz CDLXKZAHMUNUNA-GXTWGEPZSA-N 2 1 322.840 1.820 10 0 DDAEMP CCO[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218091 407766023 /nfs/dbraw/zinc/76/60/23/407766023.db2.gz UHXSDXUAJBRLOV-CVEARBPZSA-N 2 1 323.481 1.478 10 0 DDAEMP C[NH2+]CCc1ccccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000262359856 407812139 /nfs/dbraw/zinc/81/21/39/407812139.db2.gz WGIOIKLJSVUCIZ-GDBMZVCRSA-N 2 1 301.434 1.757 10 0 DDAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262490762 407847361 /nfs/dbraw/zinc/84/73/61/407847361.db2.gz KYHXEJSKARRPLL-DLKVLKDVSA-N 2 1 305.397 1.672 10 0 DDAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262490762 407847367 /nfs/dbraw/zinc/84/73/67/407847367.db2.gz KYHXEJSKARRPLL-DLKVLKDVSA-N 2 1 305.397 1.672 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCCCNC3=O)C2)[nH+]1 ZINC000245933821 408106546 /nfs/dbraw/zinc/10/65/46/408106546.db2.gz VINUWUVMTKQBPO-CABCVRRESA-N 2 1 302.422 1.793 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000246260867 408194731 /nfs/dbraw/zinc/19/47/31/408194731.db2.gz LAYSUXMAHWQCBD-LSDHHAIUSA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000246260867 408194737 /nfs/dbraw/zinc/19/47/37/408194737.db2.gz LAYSUXMAHWQCBD-LSDHHAIUSA-N 2 1 311.470 1.191 10 0 DDAEMP COCc1nc(CN2CC[C@@H](CNc3cccc(C)n3)C2)no1 ZINC000182498038 408177880 /nfs/dbraw/zinc/17/78/80/408177880.db2.gz VHIKVUAHDXGINQ-ZDUSSCGKSA-N 2 1 317.393 1.853 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000246390963 408241363 /nfs/dbraw/zinc/24/13/63/408241363.db2.gz QZZHBGKDGZZNFD-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000246390963 408241367 /nfs/dbraw/zinc/24/13/67/408241367.db2.gz QZZHBGKDGZZNFD-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000246390963 408241374 /nfs/dbraw/zinc/24/13/74/408241374.db2.gz QZZHBGKDGZZNFD-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[N@@H+](C)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246861999 408357076 /nfs/dbraw/zinc/35/70/76/408357076.db2.gz DYXITTRSCWGIEQ-DLBZAZTESA-N 2 1 319.449 1.468 10 0 DDAEMP CCCC[C@@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247129763 408416449 /nfs/dbraw/zinc/41/64/49/408416449.db2.gz KGUUYNUGBKDKMS-HOCLYGCPSA-N 2 1 314.470 1.743 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247520425 408485862 /nfs/dbraw/zinc/48/58/62/408485862.db2.gz ZCHSIUHYGQSZGU-OAGGEKHMSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247520425 408485865 /nfs/dbraw/zinc/48/58/65/408485865.db2.gz ZCHSIUHYGQSZGU-OAGGEKHMSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247520425 408485872 /nfs/dbraw/zinc/48/58/72/408485872.db2.gz ZCHSIUHYGQSZGU-OAGGEKHMSA-N 2 1 310.486 1.889 10 0 DDAEMP C(CN1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000248344534 408550200 /nfs/dbraw/zinc/55/02/00/408550200.db2.gz LSHAJUKSYISRNF-ROUUACIJSA-N 2 1 306.498 1.327 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000192805699 408653704 /nfs/dbraw/zinc/65/37/04/408653704.db2.gz ZMUCUTVGEARTSK-HZPDHXFCSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000192805699 408653707 /nfs/dbraw/zinc/65/37/07/408653707.db2.gz ZMUCUTVGEARTSK-HZPDHXFCSA-N 2 1 323.456 1.644 10 0 DDAEMP CCC[C@H](C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[NH+](C)C ZINC000162128382 408674932 /nfs/dbraw/zinc/67/49/32/408674932.db2.gz MNKVSIGZLQEKGV-HZPDHXFCSA-N 2 1 312.502 1.107 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000309582518 418589927 /nfs/dbraw/zinc/58/99/27/418589927.db2.gz NPMSXKORDPJZLN-IRXDYDNUSA-N 2 1 301.434 1.706 10 0 DDAEMP O[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634699018 422558885 /nfs/dbraw/zinc/55/88/85/422558885.db2.gz CYWUUDZIJWEQQF-ZWKOTPCHSA-N 2 1 304.434 1.782 10 0 DDAEMP O[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699018 422558889 /nfs/dbraw/zinc/55/88/89/422558889.db2.gz CYWUUDZIJWEQQF-ZWKOTPCHSA-N 2 1 304.434 1.782 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246590811 282000004 /nfs/dbraw/zinc/00/00/04/282000004.db2.gz OAYUZOIBAPWAOS-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246590811 282000007 /nfs/dbraw/zinc/00/00/07/282000007.db2.gz OAYUZOIBAPWAOS-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246590811 282000008 /nfs/dbraw/zinc/00/00/08/282000008.db2.gz OAYUZOIBAPWAOS-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263116541 484274417 /nfs/dbraw/zinc/27/44/17/484274417.db2.gz APMFYWOJMCHFFW-AEFFLSMTSA-N 2 1 314.433 1.218 10 0 DDAEMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261944373 698446688 /nfs/dbraw/zinc/44/66/88/698446688.db2.gz NKMGOWYMKDCKLS-BRWVUGGUSA-N 2 1 317.433 1.293 10 0 DDAEMP COC1CC(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711736525 699259805 /nfs/dbraw/zinc/25/98/05/699259805.db2.gz FFRDQDNTROKILE-ACBHZAAOSA-N 2 1 318.461 1.980 10 0 DDAEMP COC1CC(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000711736525 699259807 /nfs/dbraw/zinc/25/98/07/699259807.db2.gz FFRDQDNTROKILE-ACBHZAAOSA-N 2 1 318.461 1.980 10 0 DDAEMP COC1CC(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000711736525 699259808 /nfs/dbraw/zinc/25/98/08/699259808.db2.gz FFRDQDNTROKILE-ACBHZAAOSA-N 2 1 318.461 1.980 10 0 DDAEMP COC1CC(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000711736525 699259810 /nfs/dbraw/zinc/25/98/10/699259810.db2.gz FFRDQDNTROKILE-ACBHZAAOSA-N 2 1 318.461 1.980 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@@H]1C(C)C ZINC000888097744 709212744 /nfs/dbraw/zinc/21/27/44/709212744.db2.gz NSTSURPEHZFDBH-ZJPYXAASSA-N 2 1 320.481 1.688 10 0 DDAEMP C[NH2+]C1CCC([N@@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695742 193290387 /nfs/dbraw/zinc/29/03/87/193290387.db2.gz HFXYCGUDYNQQPL-WLYUNCDWSA-N 2 1 317.499 1.120 10 0 DDAEMP CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CCC[NH3+])C2CCCC2)C1 ZINC000093695950 193291036 /nfs/dbraw/zinc/29/10/36/193291036.db2.gz HOXLFKSISKONBA-AWEZNQCLSA-N 2 1 317.499 1.251 10 0 DDAEMP CC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC([NH3+])CC1 ZINC000093698458 193292773 /nfs/dbraw/zinc/29/27/73/193292773.db2.gz XLJHXPTYFXAIBX-WLYUNCDWSA-N 2 1 317.499 1.250 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@H]1[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021523 193339168 /nfs/dbraw/zinc/33/91/68/193339168.db2.gz VKHIHGJWQXJFIJ-HUUCEWRRSA-N 2 1 300.468 1.416 10 0 DDAEMP COCCNc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040760790 183130507 /nfs/dbraw/zinc/13/05/07/183130507.db2.gz BHWYOMOOTGOUIW-UHFFFAOYSA-N 2 1 322.457 1.838 10 0 DDAEMP COCCNc1nc[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040760790 183130509 /nfs/dbraw/zinc/13/05/09/183130509.db2.gz BHWYOMOOTGOUIW-UHFFFAOYSA-N 2 1 322.457 1.838 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccccc3n2)CC1 ZINC000105862308 194149914 /nfs/dbraw/zinc/14/99/14/194149914.db2.gz ILEADNVDCJYKPK-OAHLLOKOSA-N 2 1 316.449 1.859 10 0 DDAEMP CCC[C@@H](C(N)=S)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000109471702 194266924 /nfs/dbraw/zinc/26/69/24/194266924.db2.gz MCDRXHCSQHYZFU-ZDUSSCGKSA-N 2 1 307.467 1.670 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638303451 422815113 /nfs/dbraw/zinc/81/51/13/422815113.db2.gz YGMOPBQSFROBLA-YJBOKZPZSA-N 2 1 319.449 1.379 10 0 DDAEMP CNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915728 407357071 /nfs/dbraw/zinc/35/70/71/407357071.db2.gz AREHCULCPAJNSA-QGZVFWFLSA-N 2 1 319.449 1.110 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261545213 407539472 /nfs/dbraw/zinc/53/94/72/407539472.db2.gz JQOZYZHRCOVQHG-ULQDDVLXSA-N 2 1 301.434 1.704 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261545213 407539477 /nfs/dbraw/zinc/53/94/77/407539477.db2.gz JQOZYZHRCOVQHG-ULQDDVLXSA-N 2 1 301.434 1.704 10 0 DDAEMP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1 ZINC000261928145 407674923 /nfs/dbraw/zinc/67/49/23/407674923.db2.gz LJJCNUKOOMKYNJ-ARFHVFGLSA-N 2 1 304.438 1.549 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000263197031 408053776 /nfs/dbraw/zinc/05/37/76/408053776.db2.gz INIDLDKXXXOUGO-RISCZKNCSA-N 2 1 306.797 1.400 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000263197027 408054382 /nfs/dbraw/zinc/05/43/82/408054382.db2.gz INIDLDKXXXOUGO-BXUZGUMPSA-N 2 1 306.797 1.400 10 0 DDAEMP C[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246187012 408171079 /nfs/dbraw/zinc/17/10/79/408171079.db2.gz HZJDORJPVYWSDN-CABCVRRESA-N 2 1 310.486 1.842 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000246465519 408262923 /nfs/dbraw/zinc/26/29/23/408262923.db2.gz PXWIMTQLIUTLQW-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246685281 408318266 /nfs/dbraw/zinc/31/82/66/408318266.db2.gz HYYMKKAZRIUXJF-DLBZAZTESA-N 2 1 323.481 1.476 10 0 DDAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246685281 408318270 /nfs/dbraw/zinc/31/82/70/408318270.db2.gz HYYMKKAZRIUXJF-DLBZAZTESA-N 2 1 323.481 1.476 10 0 DDAEMP CCOCC[N@@H+]1CCN(C(=O)C2([NH3+])CCCCC2)C[C@H]1CC ZINC000168087893 162178493 /nfs/dbraw/zinc/17/84/93/162178493.db2.gz AQCOMVRIKNRAQH-OAHLLOKOSA-N 2 1 311.470 1.607 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)C2([NH3+])CCCCC2)C[C@H]1CC ZINC000168087893 162178498 /nfs/dbraw/zinc/17/84/98/162178498.db2.gz AQCOMVRIKNRAQH-OAHLLOKOSA-N 2 1 311.470 1.607 10 0 DDAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3C=CCCC3)CC2)C1 ZINC000171746259 162240293 /nfs/dbraw/zinc/24/02/93/162240293.db2.gz OVOCKYIMYVNKMM-ROUUACIJSA-N 2 1 307.482 1.822 10 0 DDAEMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246932927 408370161 /nfs/dbraw/zinc/37/01/61/408370161.db2.gz HEECKLVZNVKBPE-ZBFHGGJFSA-N 2 1 322.453 1.587 10 0 DDAEMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246932927 408370168 /nfs/dbraw/zinc/37/01/68/408370168.db2.gz HEECKLVZNVKBPE-ZBFHGGJFSA-N 2 1 322.453 1.587 10 0 DDAEMP [NH3+]C1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000309561531 409785156 /nfs/dbraw/zinc/78/51/56/409785156.db2.gz RIUUDCDZHYNHCR-UHFFFAOYSA-N 2 1 301.434 1.848 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309571647 418590184 /nfs/dbraw/zinc/59/01/84/418590184.db2.gz GPYHHOLXVJQWBS-GVDBMIGSSA-N 2 1 301.434 1.752 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638835611 423147894 /nfs/dbraw/zinc/14/78/94/423147894.db2.gz MXQQPYKUAQJRFP-NJAFHUGGSA-N 2 1 315.461 1.870 10 0 DDAEMP C[C@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000631844421 421879510 /nfs/dbraw/zinc/87/95/10/421879510.db2.gz XFDJWHZNVCRWEY-QWHCGFSZSA-N 2 1 301.390 1.199 10 0 DDAEMP COc1ccccc1[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+](C)C ZINC000261746926 295383247 /nfs/dbraw/zinc/38/32/47/295383247.db2.gz MJJRAGZQTOFVER-NUEKZKHPSA-N 2 1 319.449 1.932 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261899944 297095622 /nfs/dbraw/zinc/09/56/22/297095622.db2.gz ORWAOHVJJCBIEI-ZURLZEQWSA-N 2 1 321.465 1.214 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH3+])o1 ZINC000309694011 698665683 /nfs/dbraw/zinc/66/56/83/698665683.db2.gz DPPSHOZBEROWDD-CYBMUJFWSA-N 2 1 301.390 1.989 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249461283 282157495 /nfs/dbraw/zinc/15/74/95/282157495.db2.gz ZMUCUTVGEARTSK-HOTGVXAUSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249461283 282157496 /nfs/dbraw/zinc/15/74/96/282157496.db2.gz ZMUCUTVGEARTSK-HOTGVXAUSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249461283 282157497 /nfs/dbraw/zinc/15/74/97/282157497.db2.gz ZMUCUTVGEARTSK-HOTGVXAUSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+]1CCSCC1 ZINC000132898805 539189943 /nfs/dbraw/zinc/18/99/43/539189943.db2.gz YVJZYMRMNDHYMM-GOEBONIOSA-N 2 1 321.490 1.843 10 0 DDAEMP C[N@@H+](CCNc1nc(NN)[nH+]cc1Br)C1CC1 ZINC000087870242 185234186 /nfs/dbraw/zinc/23/41/86/185234186.db2.gz CUFWQTGQWJXYGR-UHFFFAOYSA-N 2 1 301.192 1.031 10 0 DDAEMP CC(C)[NH2+][C@@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435509 185250551 /nfs/dbraw/zinc/25/05/51/185250551.db2.gz XOWMKYBTWAOKPV-ZDUSSCGKSA-N 2 1 309.376 1.893 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173500879 198221744 /nfs/dbraw/zinc/22/17/44/198221744.db2.gz PVEYWNLAGWNPSR-HNNXBMFYSA-N 2 1 305.426 1.461 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000173500879 198221746 /nfs/dbraw/zinc/22/17/46/198221746.db2.gz PVEYWNLAGWNPSR-HNNXBMFYSA-N 2 1 305.426 1.461 10 0 DDAEMP [NH3+][C@@H]1CCC[C@H](C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525685 192282590 /nfs/dbraw/zinc/28/25/90/192282590.db2.gz RUDCTGVBDKBJIS-VHSXEESVSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@@H]1CCC[C@H](C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525685 192282592 /nfs/dbraw/zinc/28/25/92/192282592.db2.gz RUDCTGVBDKBJIS-VHSXEESVSA-N 2 1 303.332 1.630 10 0 DDAEMP C[NH+](C)CCC[NH2+]Cc1cnc2cnc(Br)cn12 ZINC000092048939 193148026 /nfs/dbraw/zinc/14/80/26/193148026.db2.gz RHVWQRIDZBVYLR-UHFFFAOYSA-N 2 1 312.215 1.533 10 0 DDAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3cnc(Br)cn23)C1 ZINC000092049495 193148590 /nfs/dbraw/zinc/14/85/90/193148590.db2.gz BGPRXIKBUAUFRL-SNVBAGLBSA-N 2 1 324.226 1.533 10 0 DDAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cnc3cnc(Br)cn23)C1 ZINC000092049495 193148591 /nfs/dbraw/zinc/14/85/91/193148591.db2.gz BGPRXIKBUAUFRL-SNVBAGLBSA-N 2 1 324.226 1.533 10 0 DDAEMP CCC[NH2+][C@H]1CCC[C@@H]1CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000093554669 193267677 /nfs/dbraw/zinc/26/76/77/193267677.db2.gz SNJKRVQDHPOJDP-CABCVRRESA-N 2 1 317.499 1.122 10 0 DDAEMP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702658 193295906 /nfs/dbraw/zinc/29/59/06/193295906.db2.gz QTGBASLTABTCKV-KBPBESRZSA-N 2 1 317.499 1.120 10 0 DDAEMP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702658 193295908 /nfs/dbraw/zinc/29/59/08/193295908.db2.gz QTGBASLTABTCKV-KBPBESRZSA-N 2 1 317.499 1.120 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000094459104 193371230 /nfs/dbraw/zinc/37/12/30/193371230.db2.gz FKAOFZUBIHDDPM-GXTWGEPZSA-N 2 1 309.435 1.003 10 0 DDAEMP C[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169497 194397977 /nfs/dbraw/zinc/39/79/77/194397977.db2.gz ASCMUYHTEMIDMH-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP C[NH2+][C@](C)(CCCC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169497 194397978 /nfs/dbraw/zinc/39/79/78/194397978.db2.gz ASCMUYHTEMIDMH-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP Cc1nnc([C@H]2CC3(C[N@H+]2CCO)CC[NH+](CC(C)C)CC3)o1 ZINC000257191753 407486698 /nfs/dbraw/zinc/48/66/98/407486698.db2.gz RFIXVAFDUMUVCJ-OAHLLOKOSA-N 2 1 322.453 1.855 10 0 DDAEMP Cc1nnc([C@H]2CC3(C[N@@H+]2CCO)CC[NH+](CC(C)C)CC3)o1 ZINC000257191753 407486705 /nfs/dbraw/zinc/48/67/05/407486705.db2.gz RFIXVAFDUMUVCJ-OAHLLOKOSA-N 2 1 322.453 1.855 10 0 DDAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000151913721 407525572 /nfs/dbraw/zinc/52/55/72/407525572.db2.gz AQXSZILTQAYVHC-OAHLLOKOSA-N 2 1 319.453 1.886 10 0 DDAEMP NC(=O)c1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261838684 407636230 /nfs/dbraw/zinc/63/62/30/407636230.db2.gz UFCBVNNYNGXMEQ-MSOLQXFVSA-N 2 1 309.413 1.960 10 0 DDAEMP CC(C)C1CCC([NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)CC1 ZINC000261871731 407651143 /nfs/dbraw/zinc/65/11/43/407651143.db2.gz XLCPGXQYDOMEPO-UHFFFAOYSA-N 2 1 321.469 1.861 10 0 DDAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1OC ZINC000261885438 407654928 /nfs/dbraw/zinc/65/49/28/407654928.db2.gz FVXBWDSHSQZKSH-BZUAXINKSA-N 2 1 320.433 1.951 10 0 DDAEMP Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262002438 407707719 /nfs/dbraw/zinc/70/77/19/407707719.db2.gz LKYMZMNFHFBART-QGZVFWFLSA-N 2 1 305.470 1.154 10 0 DDAEMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588739 407710026 /nfs/dbraw/zinc/71/00/26/407710026.db2.gz UDZLYQONVJZSER-ZNMIVQPWSA-N 2 1 313.486 1.314 10 0 DDAEMP CC(C)n1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000172014292 407800995 /nfs/dbraw/zinc/80/09/95/407800995.db2.gz IKNBXJPEJIQCNF-HNNXBMFYSA-N 2 1 308.470 1.989 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281666 408090901 /nfs/dbraw/zinc/09/09/01/408090901.db2.gz UIUPOIFYTWXXOT-BDZKXGRMSA-N 2 1 315.461 1.352 10 0 DDAEMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907012 162248514 /nfs/dbraw/zinc/24/85/14/162248514.db2.gz RIXULVPECYQGBE-MRXNPFEDSA-N 2 1 310.486 1.988 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000177331073 408582731 /nfs/dbraw/zinc/58/27/31/408582731.db2.gz LOAYWUFIBZRGSH-MRXNPFEDSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309876211 409788786 /nfs/dbraw/zinc/78/87/86/409788786.db2.gz IFDHYSLNUXAATK-SJLPKXTDSA-N 2 1 301.434 1.767 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000248737745 287226062 /nfs/dbraw/zinc/22/60/62/287226062.db2.gz OVTVOBZHFAJYGJ-WBVHZDCISA-N 2 1 305.466 1.946 10 0 DDAEMP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000381299397 418728486 /nfs/dbraw/zinc/72/84/86/418728486.db2.gz CJHMIZGUSBPDMT-KRWDZBQOSA-N 2 1 301.434 1.721 10 0 DDAEMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171899931 277384119 /nfs/dbraw/zinc/38/41/19/277384119.db2.gz GMDXNTBMTBCJGB-MRXNPFEDSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000111606365 278195905 /nfs/dbraw/zinc/19/59/05/278195905.db2.gz RNLHPMVUGUCOSG-WMLDXEAASA-N 2 1 301.434 1.596 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)[nH+]1 ZINC000195516339 281245339 /nfs/dbraw/zinc/24/53/39/281245339.db2.gz MHGPZFJWTTZIIV-AWEZNQCLSA-N 2 1 302.422 1.745 10 0 DDAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000168729010 282059470 /nfs/dbraw/zinc/05/94/70/282059470.db2.gz AHYVFQQLHPYXCU-OLZOCXBDSA-N 2 1 318.421 1.643 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333834624 289046417 /nfs/dbraw/zinc/04/64/17/289046417.db2.gz NEGDJOYHYGSQIH-FVQBIDKESA-N 2 1 324.469 1.009 10 0 DDAEMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262326349 484269195 /nfs/dbraw/zinc/26/91/95/484269195.db2.gz RVCMOGSXRLEEEM-IAGOWNOFSA-N 2 1 319.449 1.229 10 0 DDAEMP [NH3+]C[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC000713823061 699267502 /nfs/dbraw/zinc/26/75/02/699267502.db2.gz RFGQBODJCMXVQT-DLBZAZTESA-N 2 1 317.433 1.085 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079458349 185172543 /nfs/dbraw/zinc/17/25/43/185172543.db2.gz PNCRZAKMCGNOGH-LSDHHAIUSA-N 2 1 310.486 1.746 10 0 DDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247650719 282173594 /nfs/dbraw/zinc/17/35/94/282173594.db2.gz WOAUNMNFXGJIFX-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](C[NH3+])C[N@@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639599 185229903 /nfs/dbraw/zinc/22/99/03/185229903.db2.gz KLZQGTVTGYRTEQ-LBPRGKRZSA-N 2 1 311.499 1.943 10 0 DDAEMP C[C@@H](C[NH3+])C[N@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639599 185229904 /nfs/dbraw/zinc/22/99/04/185229904.db2.gz KLZQGTVTGYRTEQ-LBPRGKRZSA-N 2 1 311.499 1.943 10 0 DDAEMP CC[NH2+][C@](C)(CCC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435122 185249999 /nfs/dbraw/zinc/24/99/99/185249999.db2.gz SOCOIOCMWPYGQN-WCQYABFASA-N 2 1 309.376 1.894 10 0 DDAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1cccnc1 ZINC000328640746 354557324 /nfs/dbraw/zinc/55/73/24/354557324.db2.gz QDRLTBPKBHRXCX-YJBOKZPZSA-N 2 1 322.416 1.907 10 0 DDAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3cnccn23)[C@@H]1c1cccnc1 ZINC000328640746 354557325 /nfs/dbraw/zinc/55/73/25/354557325.db2.gz QDRLTBPKBHRXCX-YJBOKZPZSA-N 2 1 322.416 1.907 10 0 DDAEMP C[NH2+][C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cnn(C)c1 ZINC000262419854 203288999 /nfs/dbraw/zinc/28/89/99/203288999.db2.gz RPFVSKCHJUVBFQ-HUUCEWRRSA-N 2 1 307.442 1.013 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831910 193314483 /nfs/dbraw/zinc/31/44/83/193314483.db2.gz HKVFLANDKKBBOV-DGCLKSJQSA-N 2 1 307.360 1.647 10 0 DDAEMP C[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019276453 182112068 /nfs/dbraw/zinc/11/20/68/182112068.db2.gz GLGJPNSLQQKFDV-SECBINFHSA-N 2 1 304.257 1.758 10 0 DDAEMP CC(C)[NH+](CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC000105075572 194069831 /nfs/dbraw/zinc/06/98/31/194069831.db2.gz ZGASQKXPJDNZMC-MRXNPFEDSA-N 2 1 310.486 1.985 10 0 DDAEMP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CCOCC1)[NH2+]C ZINC000111170538 194398544 /nfs/dbraw/zinc/39/85/44/194398544.db2.gz DOEPGFAPFPEXDU-MRXNPFEDSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC1CCOCC1)[NH2+]C ZINC000111170538 194398547 /nfs/dbraw/zinc/39/85/47/194398547.db2.gz DOEPGFAPFPEXDU-MRXNPFEDSA-N 2 1 300.443 1.666 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261698706 407582905 /nfs/dbraw/zinc/58/29/05/407582905.db2.gz BJNLXQFFJILGSJ-GDBMZVCRSA-N 2 1 311.470 1.511 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3cccnc3n2)CC1 ZINC000171588679 407710502 /nfs/dbraw/zinc/71/05/02/407710502.db2.gz LWEGEBPPUDGZPT-CQSZACIVSA-N 2 1 317.437 1.254 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000262302938 407790534 /nfs/dbraw/zinc/79/05/34/407790534.db2.gz OCKJZRQNZDKMEN-XIRDDKMYSA-N 2 1 319.449 1.377 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000262299377 407787351 /nfs/dbraw/zinc/78/73/51/407787351.db2.gz NSEGGLZIBBTYOB-XJKSGUPXSA-N 2 1 321.421 1.319 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000263186074 408051739 /nfs/dbraw/zinc/05/17/39/408051739.db2.gz HJIYPVAOSVNOCY-WCQYABFASA-N 2 1 312.797 1.171 10 0 DDAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(SC)cc1OC ZINC000263318492 408104929 /nfs/dbraw/zinc/10/49/29/408104929.db2.gz ZVJBZFQUTBVXJK-NWDGAFQWSA-N 2 1 312.435 1.096 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccsc3n2)CC1 ZINC000171589292 162228112 /nfs/dbraw/zinc/22/81/12/162228112.db2.gz WSAQFFKPMGTEGS-ZDUSSCGKSA-N 2 1 322.478 1.920 10 0 DDAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000247601504 408497550 /nfs/dbraw/zinc/49/75/50/408497550.db2.gz UPNSEGHHPYUVAM-VVLHAWIVSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000247601504 408497554 /nfs/dbraw/zinc/49/75/54/408497554.db2.gz UPNSEGHHPYUVAM-VVLHAWIVSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000247601504 408497558 /nfs/dbraw/zinc/49/75/58/408497558.db2.gz UPNSEGHHPYUVAM-VVLHAWIVSA-N 2 1 322.497 1.842 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000177331094 408582800 /nfs/dbraw/zinc/58/28/00/408582800.db2.gz LOAYWUFIBZRGSH-INIZCTEOSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000192805705 408651648 /nfs/dbraw/zinc/65/16/48/408651648.db2.gz ZMUCUTVGEARTSK-JKSUJKDBSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000192805705 408651654 /nfs/dbraw/zinc/65/16/54/408651654.db2.gz ZMUCUTVGEARTSK-JKSUJKDBSA-N 2 1 323.456 1.644 10 0 DDAEMP O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261708613 163689317 /nfs/dbraw/zinc/68/93/17/163689317.db2.gz KULWZROSXCMUCH-KRWDZBQOSA-N 2 1 317.433 1.135 10 0 DDAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000191482921 222103596 /nfs/dbraw/zinc/10/35/96/222103596.db2.gz GVHFHUJPKYNMBM-OAHLLOKOSA-N 2 1 322.453 1.141 10 0 DDAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000191482921 222103599 /nfs/dbraw/zinc/10/35/99/222103599.db2.gz GVHFHUJPKYNMBM-OAHLLOKOSA-N 2 1 322.453 1.141 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078696 422639288 /nfs/dbraw/zinc/63/92/88/422639288.db2.gz GBYVXCITIXQEFR-IAGOWNOFSA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638078696 422639294 /nfs/dbraw/zinc/63/92/94/422639294.db2.gz GBYVXCITIXQEFR-IAGOWNOFSA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638078696 422639300 /nfs/dbraw/zinc/63/93/00/422639300.db2.gz GBYVXCITIXQEFR-IAGOWNOFSA-N 2 1 318.465 1.046 10 0 DDAEMP COC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278916 423714245 /nfs/dbraw/zinc/71/42/45/423714245.db2.gz NBOPPILJQWSHQC-WMZOPIPTSA-N 2 1 317.433 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O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000262165000 698457663 /nfs/dbraw/zinc/45/76/63/698457663.db2.gz UDADZTCAHDAPGK-PWSUYJOCSA-N 2 1 306.353 1.968 10 0 DDAEMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1C[NH2+]C1 ZINC000262532549 295779376 /nfs/dbraw/zinc/77/93/76/295779376.db2.gz MECHACUXCPKHAH-ABAIWWIYSA-N 2 1 309.841 1.914 10 0 DDAEMP CCN1CC[NH+](CCCN2Cc3c(cccc3C)[C@@H]2C[NH3+])CC1 ZINC000071683061 191007324 /nfs/dbraw/zinc/00/73/24/191007324.db2.gz QYUBOAZPYMRYMS-IBGZPJMESA-N 2 1 316.493 1.838 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000041681320 183215893 /nfs/dbraw/zinc/21/58/93/183215893.db2.gz LKNWBHFDTGAUGG-OAHLLOKOSA-N 2 1 319.515 1.558 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105148693 194079816 /nfs/dbraw/zinc/07/98/16/194079816.db2.gz IHWSLHKRUJZCOP-HZPDHXFCSA-N 2 1 310.486 1.842 10 0 DDAEMP O[C@@H]1CCN(c2cc[nH+]c(NCCC34CCC[NH+]3CCC4)n2)C1 ZINC000065422362 184342006 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1.718 10 0 DDAEMP CC(C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000171588820 407711891 /nfs/dbraw/zinc/71/18/91/407711891.db2.gz JGJCYBQVXCQENS-CYBMUJFWSA-N 2 1 310.442 1.718 10 0 DDAEMP [NH3+]Cc1nc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)no1 ZINC000262122950 407744962 /nfs/dbraw/zinc/74/49/62/407744962.db2.gz CHEIZRCOHOPTOU-LBPRGKRZSA-N 2 1 307.785 1.328 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181046749 407949404 /nfs/dbraw/zinc/94/94/04/407949404.db2.gz FRWORPKDNRIEQU-RDJZCZTQSA-N 2 1 318.465 1.852 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000263223103 408066042 /nfs/dbraw/zinc/06/60/42/408066042.db2.gz MGXQTRMEVHRLFD-MSOLQXFVSA-N 2 1 312.413 1.936 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000246110502 408143924 /nfs/dbraw/zinc/14/39/24/408143924.db2.gz POZQJOWPFXHLRZ-IAGOWNOFSA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000246110502 408143930 /nfs/dbraw/zinc/14/39/30/408143930.db2.gz POZQJOWPFXHLRZ-IAGOWNOFSA-N 2 1 318.465 1.845 10 0 DDAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247181510 408424867 /nfs/dbraw/zinc/42/48/67/408424867.db2.gz KZIBRKBEVWTDQX-LTIDMASMSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247181510 408424873 /nfs/dbraw/zinc/42/48/73/408424873.db2.gz KZIBRKBEVWTDQX-LTIDMASMSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247181510 408424878 /nfs/dbraw/zinc/42/48/78/408424878.db2.gz KZIBRKBEVWTDQX-LTIDMASMSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000247439048 408469649 /nfs/dbraw/zinc/46/96/49/408469649.db2.gz RWNGSMQFAMEFGI-OWCLPIDISA-N 2 1 310.486 1.746 10 0 DDAEMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000249840555 408768974 /nfs/dbraw/zinc/76/89/74/408768974.db2.gz WHQNPTQXXZIUMO-ROUUACIJSA-N 2 1 313.445 1.958 10 0 DDAEMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249840555 408768979 /nfs/dbraw/zinc/76/89/79/408768979.db2.gz WHQNPTQXXZIUMO-ROUUACIJSA-N 2 1 313.445 1.958 10 0 DDAEMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249840555 408768983 /nfs/dbraw/zinc/76/89/83/408768983.db2.gz WHQNPTQXXZIUMO-ROUUACIJSA-N 2 1 313.445 1.958 10 0 DDAEMP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188420872 163051944 /nfs/dbraw/zinc/05/19/44/163051944.db2.gz MZTJDWRIJJCWQX-CQSZACIVSA-N 2 1 317.393 1.458 10 0 DDAEMP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188420872 163051946 /nfs/dbraw/zinc/05/19/46/163051946.db2.gz MZTJDWRIJJCWQX-CQSZACIVSA-N 2 1 317.393 1.458 10 0 DDAEMP C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351884719 410316847 /nfs/dbraw/zinc/31/68/47/410316847.db2.gz FIAGRXAXVOTJBQ-USXIJHARSA-N 2 1 301.434 1.765 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247092888 279126787 /nfs/dbraw/zinc/12/67/87/279126787.db2.gz IEGYMPRGROUZGC-ARFHVFGLSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000121629795 281141322 /nfs/dbraw/zinc/14/13/22/281141322.db2.gz WDDUOJHUBZWHCK-HZPDHXFCSA-N 2 1 311.470 1.022 10 0 DDAEMP C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000496104088 302525751 /nfs/dbraw/zinc/52/57/51/302525751.db2.gz JMSJMZWREYORCR-HOCLYGCPSA-N 2 1 317.433 1.985 10 0 DDAEMP CCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OCCC)c1 ZINC000262072997 484261534 /nfs/dbraw/zinc/26/15/34/484261534.db2.gz CTKOYQREOFCOQP-DOTOQJQBSA-N 2 1 322.449 1.934 10 0 DDAEMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262127894 484264191 /nfs/dbraw/zinc/26/41/91/484264191.db2.gz NHBSQANOIXQOPS-DOTOQJQBSA-N 2 1 312.417 1.519 10 0 DDAEMP C[C@@H]([NH3+])CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000261861736 698441779 /nfs/dbraw/zinc/44/17/79/698441779.db2.gz PUABWPUNNJBPML-MCIONIFRSA-N 2 1 305.422 1.972 10 0 DDAEMP C[C@@H]([NH3+])CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000261861736 698441783 /nfs/dbraw/zinc/44/17/83/698441783.db2.gz PUABWPUNNJBPML-MCIONIFRSA-N 2 1 305.422 1.972 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000261895729 698443725 /nfs/dbraw/zinc/44/37/25/698443725.db2.gz HBZLITMXUDIFNU-XDNAFOTISA-N 2 1 309.498 1.854 10 0 DDAEMP Cc1csc([C@@H]2CCCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262196832 698458541 /nfs/dbraw/zinc/45/85/41/698458541.db2.gz RXVAMEJPCPFYIO-AWEZNQCLSA-N 2 1 322.478 1.800 10 0 DDAEMP Cc1csc([C@H]2CCCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262196833 698458682 /nfs/dbraw/zinc/45/86/82/698458682.db2.gz RXVAMEJPCPFYIO-CQSZACIVSA-N 2 1 322.478 1.800 10 0 DDAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H]3CCCC[C@H]3O)C2)ccn1 ZINC000886062967 708690790 /nfs/dbraw/zinc/69/07/90/708690790.db2.gz DKSXBECBQVHFMI-KZNAEPCWSA-N 2 1 319.449 1.900 10 0 DDAEMP Cc1cc(N)nc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000893335800 710604002 /nfs/dbraw/zinc/60/40/02/710604002.db2.gz WDXWXWBRFSJHKQ-OAHLLOKOSA-N 2 1 312.421 1.721 10 0 DDAEMP COCC[N@H+](C)CC[C@@H]1CCC[C@@]1([NH2+]C(C)C)C(=O)OC ZINC000093591875 193271712 /nfs/dbraw/zinc/27/17/12/193271712.db2.gz FCBRLMADRMMQKQ-HOCLYGCPSA-N 2 1 300.443 1.665 10 0 DDAEMP COCC[N@@H+](C)CC[C@@H]1CCC[C@@]1([NH2+]C(C)C)C(=O)OC ZINC000093591875 193271714 /nfs/dbraw/zinc/27/17/14/193271714.db2.gz FCBRLMADRMMQKQ-HOCLYGCPSA-N 2 1 300.443 1.665 10 0 DDAEMP CCC[C@H](C(N)=S)[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000109470063 194266573 /nfs/dbraw/zinc/26/65/73/194266573.db2.gz OKHIWLNPZHHUOO-CQSZACIVSA-N 2 1 309.483 1.264 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@]12CCN(CC[NH+](C)C)C2=O ZINC000247950652 257114622 /nfs/dbraw/zinc/11/46/22/257114622.db2.gz BWALEPSYTHRCQS-YOEHRIQHSA-N 2 1 321.490 1.980 10 0 DDAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000171043065 407579123 /nfs/dbraw/zinc/57/91/23/407579123.db2.gz HAZJIWOHUKCFRG-CABCVRRESA-N 2 1 300.491 1.992 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000114481333 407582939 /nfs/dbraw/zinc/58/29/39/407582939.db2.gz LVQYQEHFOLPAJW-NVXWUHKLSA-N 2 1 322.497 1.144 10 0 DDAEMP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261918379 407672972 /nfs/dbraw/zinc/67/29/72/407672972.db2.gz JZEQIYMIDVWMKX-OAGGEKHMSA-N 2 1 303.406 1.032 10 0 DDAEMP Cc1csc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262244474 407773621 /nfs/dbraw/zinc/77/36/21/407773621.db2.gz WJFJYQZBOYMFJK-CQSZACIVSA-N 2 1 322.478 1.453 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262713460 407906035 /nfs/dbraw/zinc/90/60/35/407906035.db2.gz SQLYXUFMPHKMHF-INIZCTEOSA-N 2 1 313.486 1.711 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262489579 407847315 /nfs/dbraw/zinc/84/73/15/407847315.db2.gz KVIIBQMUNOYFAW-ULQDDVLXSA-N 2 1 301.434 1.623 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262489579 407847323 /nfs/dbraw/zinc/84/73/23/407847323.db2.gz KVIIBQMUNOYFAW-ULQDDVLXSA-N 2 1 301.434 1.623 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000263177641 408048196 /nfs/dbraw/zinc/04/81/96/408048196.db2.gz GHZNFPUMESYRMU-NEPJUHHUSA-N 2 1 316.348 1.357 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000263209047 408058778 /nfs/dbraw/zinc/05/87/78/408058778.db2.gz KAZJXUUPNNCSRL-WFASDCNBSA-N 2 1 306.797 1.196 10 0 DDAEMP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC000119526418 408085299 /nfs/dbraw/zinc/08/52/99/408085299.db2.gz LTYQOWFOEIGRLB-MRXNPFEDSA-N 2 1 311.470 1.288 10 0 DDAEMP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC000119526418 408085303 /nfs/dbraw/zinc/08/53/03/408085303.db2.gz LTYQOWFOEIGRLB-MRXNPFEDSA-N 2 1 311.470 1.288 10 0 DDAEMP CCCC[C@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247129746 408415102 /nfs/dbraw/zinc/41/51/02/408415102.db2.gz KGUUYNUGBKDKMS-GOEBONIOSA-N 2 1 314.470 1.743 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000177505351 408643266 /nfs/dbraw/zinc/64/32/66/408643266.db2.gz RTPDPPZZPJZYGN-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000177505351 408643268 /nfs/dbraw/zinc/64/32/68/408643268.db2.gz RTPDPPZZPJZYGN-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000177505351 408643274 /nfs/dbraw/zinc/64/32/74/408643274.db2.gz RTPDPPZZPJZYGN-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178311732 408803059 /nfs/dbraw/zinc/80/30/59/408803059.db2.gz RETQHJNHAWPMOB-INIZCTEOSA-N 2 1 322.453 1.589 10 0 DDAEMP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178311732 408803065 /nfs/dbraw/zinc/80/30/65/408803065.db2.gz RETQHJNHAWPMOB-INIZCTEOSA-N 2 1 322.453 1.589 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000178310763 408803485 /nfs/dbraw/zinc/80/34/85/408803485.db2.gz VURJHADOSJMSPQ-KRWDZBQOSA-N 2 1 312.417 1.972 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1 ZINC000178310763 408803489 /nfs/dbraw/zinc/80/34/89/408803489.db2.gz VURJHADOSJMSPQ-KRWDZBQOSA-N 2 1 312.417 1.972 10 0 DDAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327707 408805397 /nfs/dbraw/zinc/80/53/97/408805397.db2.gz VEWGLZXFQRUJOJ-HNNXBMFYSA-N 2 1 316.405 1.908 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327707 408805403 /nfs/dbraw/zinc/80/54/03/408805403.db2.gz VEWGLZXFQRUJOJ-HNNXBMFYSA-N 2 1 316.405 1.908 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000178329143 408806486 /nfs/dbraw/zinc/80/64/86/408806486.db2.gz MXGMKUXQOFOIPL-FZMZJTMJSA-N 2 1 319.409 1.033 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000178329143 408806490 /nfs/dbraw/zinc/80/64/90/408806490.db2.gz MXGMKUXQOFOIPL-FZMZJTMJSA-N 2 1 319.409 1.033 10 0 DDAEMP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[C@@H]1CSCCS1 ZINC000261991523 275395972 /nfs/dbraw/zinc/39/59/72/275395972.db2.gz SWAFXTHLFKVMSM-RFGFWPKPSA-N 2 1 302.509 1.582 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106902892 276172963 /nfs/dbraw/zinc/17/29/63/276172963.db2.gz QWINPZCNPGWMHX-IAGOWNOFSA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106902892 276172965 /nfs/dbraw/zinc/17/29/65/276172965.db2.gz QWINPZCNPGWMHX-IAGOWNOFSA-N 2 1 303.450 1.760 10 0 DDAEMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105127607 278342169 /nfs/dbraw/zinc/34/21/69/278342169.db2.gz WRRNDMDCERGCHG-JKSUJKDBSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105127607 278342170 /nfs/dbraw/zinc/34/21/70/278342170.db2.gz WRRNDMDCERGCHG-JKSUJKDBSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105127607 278342171 /nfs/dbraw/zinc/34/21/71/278342171.db2.gz WRRNDMDCERGCHG-JKSUJKDBSA-N 2 1 308.470 1.598 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247085373 282033438 /nfs/dbraw/zinc/03/34/38/282033438.db2.gz PNOJGMLTTVINNB-ARFHVFGLSA-N 2 1 310.486 1.985 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171906008 298239177 /nfs/dbraw/zinc/23/91/77/298239177.db2.gz PDMUYFZMCARHHH-INIZCTEOSA-N 2 1 308.470 1.598 10 0 DDAEMP [NH3+]CCc1cccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077321469 303390144 /nfs/dbraw/zinc/39/01/44/303390144.db2.gz TXVXUGHSNYOQTK-IBGZPJMESA-N 3 1 317.477 1.611 10 0 DDAEMP [NH3+]CCc1cccc(C[N@H+]2CC[C@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077321469 303390145 /nfs/dbraw/zinc/39/01/45/303390145.db2.gz TXVXUGHSNYOQTK-IBGZPJMESA-N 3 1 317.477 1.611 10 0 DDAEMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262326347 484269274 /nfs/dbraw/zinc/26/92/74/484269274.db2.gz RVCMOGSXRLEEEM-DLBZAZTESA-N 2 1 319.449 1.229 10 0 DDAEMP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000261905464 698444097 /nfs/dbraw/zinc/44/40/97/698444097.db2.gz VQBVMTPDNBUXLC-JSGCOSHPSA-N 2 1 318.421 1.060 10 0 DDAEMP C[NH2+][C@H]1COC[C@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000090438626 185296542 /nfs/dbraw/zinc/29/65/42/185296542.db2.gz POVWDDCDECTUAU-CJNGLKHVSA-N 2 1 309.841 1.696 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000092632504 185330331 /nfs/dbraw/zinc/33/03/31/185330331.db2.gz YJULUDKBRNZJCL-OAHLLOKOSA-N 2 1 317.499 1.122 10 0 DDAEMP C[NH+](C)Cc1ccc2c(c1)[C@@H](CN)[N@H+](C1CCC(O)CC1)C2 ZINC000071683825 191006570 /nfs/dbraw/zinc/00/65/70/191006570.db2.gz PSPJBCSGLKHRED-LEOMRAHMSA-N 2 1 303.450 1.867 10 0 DDAEMP C[NH+](C)Cc1ccc2c(c1)[C@@H](CN)[N@@H+](C1CCC(O)CC1)C2 ZINC000071683825 191006572 /nfs/dbraw/zinc/00/65/72/191006572.db2.gz PSPJBCSGLKHRED-LEOMRAHMSA-N 2 1 303.450 1.867 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000173290748 535142917 /nfs/dbraw/zinc/14/29/17/535142917.db2.gz YSKZZZRJWLVOLT-LSDHHAIUSA-N 2 1 311.470 1.020 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000173290748 535142924 /nfs/dbraw/zinc/14/29/24/535142924.db2.gz YSKZZZRJWLVOLT-LSDHHAIUSA-N 2 1 311.470 1.020 10 0 DDAEMP C[NH2+]CCCCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542814 192287808 /nfs/dbraw/zinc/28/78/08/192287808.db2.gz PYMNRSJWRZOPSY-UHFFFAOYSA-N 2 1 305.348 1.892 10 0 DDAEMP C[NH2+]CCCCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542814 192287810 /nfs/dbraw/zinc/28/78/10/192287810.db2.gz PYMNRSJWRZOPSY-UHFFFAOYSA-N 2 1 305.348 1.892 10 0 DDAEMP C[NH2+][C@]1(C(N)=O)CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756692 193301806 /nfs/dbraw/zinc/30/18/06/193301806.db2.gz MRDVPRWHWRUFCH-WCQYABFASA-N 2 1 307.360 1.647 10 0 DDAEMP C[C@H](C[NH3+])C[N@@H+]1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094051886 193341288 /nfs/dbraw/zinc/34/12/88/193341288.db2.gz NKCSCGQTRQTXAS-LLVKDONJSA-N 2 1 300.809 1.981 10 0 DDAEMP C[C@H](C[NH3+])C[N@H+]1CCCN(c2ncc(Cl)cc2F)CC1 ZINC000094051886 193341290 /nfs/dbraw/zinc/34/12/90/193341290.db2.gz NKCSCGQTRQTXAS-LLVKDONJSA-N 2 1 300.809 1.981 10 0 DDAEMP CCC[N@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638607 193387894 /nfs/dbraw/zinc/38/78/94/193387894.db2.gz DYUMACQJBCVHIG-GJZGRUSLSA-N 2 1 302.484 1.806 10 0 DDAEMP CCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638607 193387896 /nfs/dbraw/zinc/38/78/96/193387896.db2.gz DYUMACQJBCVHIG-GJZGRUSLSA-N 2 1 302.484 1.806 10 0 DDAEMP CC[NH+](CC)CC[C@H]([NH2+]C)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642943 193389205 /nfs/dbraw/zinc/38/92/05/193389205.db2.gz ZUOFFZCUEVWHMO-KKUMJFAQSA-N 2 1 304.500 1.910 10 0 DDAEMP NC(=[NH2+])c1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000020549568 182230272 /nfs/dbraw/zinc/23/02/72/182230272.db2.gz LQHSBQGLAVXVGH-UHFFFAOYSA-N 2 1 301.419 1.749 10 0 DDAEMP CCC[N@@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)CCN(C)C ZINC000041675140 183215637 /nfs/dbraw/zinc/21/56/37/183215637.db2.gz ITUABUNQUQKWFC-MRXNPFEDSA-N 2 1 301.475 1.711 10 0 DDAEMP CCC[C@@H](C(N)=S)[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000109470061 194266765 /nfs/dbraw/zinc/26/67/65/194266765.db2.gz OKHIWLNPZHHUOO-AWEZNQCLSA-N 2 1 309.483 1.264 10 0 DDAEMP Cc1cc2c(ncnc2N2CC[NH+](C[C@H](C)C[NH3+])CC2)s1 ZINC000110779039 194358270 /nfs/dbraw/zinc/35/82/70/194358270.db2.gz OHKYEFGKSPHQOA-LLVKDONJSA-N 2 1 305.451 1.717 10 0 DDAEMP c1csc(CC[NH2+]CCN2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000062974991 184263694 /nfs/dbraw/zinc/26/36/94/184263694.db2.gz DTUWFHANPCTYEI-HNNXBMFYSA-N 2 1 309.479 1.287 10 0 DDAEMP CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000120425786 195164803 /nfs/dbraw/zinc/16/48/03/195164803.db2.gz PGKCQWMGHPFPMH-HNNXBMFYSA-N 2 1 313.486 1.534 10 0 DDAEMP CC[N@@H+]1CCO[C@H]2C[NH+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247880595 257115146 /nfs/dbraw/zinc/11/51/46/257115146.db2.gz PUHUOJYPBFPRNC-HOCLYGCPSA-N 2 1 305.422 1.633 10 0 DDAEMP CC[N@H+]1CCO[C@H]2C[NH+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247880595 257115147 /nfs/dbraw/zinc/11/51/47/257115147.db2.gz PUHUOJYPBFPRNC-HOCLYGCPSA-N 2 1 305.422 1.633 10 0 DDAEMP CC[NH+]1CCO[C@H]2C[N@H+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247880595 257115148 /nfs/dbraw/zinc/11/51/48/257115148.db2.gz PUHUOJYPBFPRNC-HOCLYGCPSA-N 2 1 305.422 1.633 10 0 DDAEMP CC[NH+]1CCO[C@H]2C[N@@H+](Cc3cccnc3OC)CC[C@H]2C1 ZINC000247880595 257115150 /nfs/dbraw/zinc/11/51/50/257115150.db2.gz PUHUOJYPBFPRNC-HOCLYGCPSA-N 2 1 305.422 1.633 10 0 DDAEMP CC(C)[NH+](CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)C(C)C ZINC000113578066 407516590 /nfs/dbraw/zinc/51/65/90/407516590.db2.gz SLHUVUNPIZADMQ-JKSUJKDBSA-N 2 1 310.486 1.983 10 0 DDAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170835351 407525352 /nfs/dbraw/zinc/52/53/52/407525352.db2.gz BBCUGWLOQNKNDP-QGZVFWFLSA-N 2 1 318.465 1.984 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000152425225 407631751 /nfs/dbraw/zinc/63/17/51/407631751.db2.gz DVJYFOOYPSDDME-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000152425225 407631754 /nfs/dbraw/zinc/63/17/54/407631754.db2.gz DVJYFOOYPSDDME-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000152425225 407631760 /nfs/dbraw/zinc/63/17/60/407631760.db2.gz DVJYFOOYPSDDME-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000271448758 407688989 /nfs/dbraw/zinc/68/89/89/407688989.db2.gz HVRPTNJBOUTOSM-NZSAHSFTSA-N 2 1 317.477 1.817 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000262295599 407788848 /nfs/dbraw/zinc/78/88/48/407788848.db2.gz NISNHZZRJLXLKH-YOEHRIQHSA-N 2 1 319.449 1.651 10 0 DDAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262490767 407848556 /nfs/dbraw/zinc/84/85/56/407848556.db2.gz KYHXEJSKARRPLL-YUDUHTQSSA-N 2 1 305.397 1.672 10 0 DDAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262490767 407848561 /nfs/dbraw/zinc/84/85/61/407848561.db2.gz KYHXEJSKARRPLL-YUDUHTQSSA-N 2 1 305.397 1.672 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712612 407978261 /nfs/dbraw/zinc/97/82/61/407978261.db2.gz HYEAUWJYGYXLBN-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000245702286 408045762 /nfs/dbraw/zinc/04/57/62/408045762.db2.gz CQOXGWQRBYSUOZ-GOEBONIOSA-N 2 1 311.470 1.070 10 0 DDAEMP COCCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151118610 408260643 /nfs/dbraw/zinc/26/06/43/408260643.db2.gz PPCQYDHFYVLTDI-OAHLLOKOSA-N 2 1 320.437 1.277 10 0 DDAEMP CC[N@@H+](CCNC(=O)N1CCC[C@H]1Cn1ccnc1C)C1CC1 ZINC000176083169 408282657 /nfs/dbraw/zinc/28/26/57/408282657.db2.gz NVHKHFLRESZPMH-INIZCTEOSA-N 2 1 319.453 1.850 10 0 DDAEMP CC[N@@H+](CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)C1CC1 ZINC000176083169 408282670 /nfs/dbraw/zinc/28/26/70/408282670.db2.gz NVHKHFLRESZPMH-INIZCTEOSA-N 2 1 319.453 1.850 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000176170273 408300625 /nfs/dbraw/zinc/30/06/25/408300625.db2.gz OCQIRLQLDHVUEE-MRXNPFEDSA-N 2 1 310.486 1.988 10 0 DDAEMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000246759162 408333571 /nfs/dbraw/zinc/33/35/71/408333571.db2.gz BSWIOMZVOPTQJZ-BZUAXINKSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171904957 162246012 /nfs/dbraw/zinc/24/60/12/162246012.db2.gz RFCAKBHTFWJZHQ-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247112005 408410471 /nfs/dbraw/zinc/41/04/71/408410471.db2.gz ITBAVCVTDSBHHD-BRWVUGGUSA-N 2 1 322.497 1.985 10 0 DDAEMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000338368030 409942687 /nfs/dbraw/zinc/94/26/87/409942687.db2.gz FODWRTPNPJWPNC-BRWVUGGUSA-N 2 1 323.481 1.166 10 0 DDAEMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000338368030 409942693 /nfs/dbraw/zinc/94/26/93/409942693.db2.gz FODWRTPNPJWPNC-BRWVUGGUSA-N 2 1 323.481 1.166 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191338012 278395418 /nfs/dbraw/zinc/39/54/18/278395418.db2.gz FBMQAAHSGJYGGY-CQSZACIVSA-N 2 1 323.485 1.558 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191338012 278395420 /nfs/dbraw/zinc/39/54/20/278395420.db2.gz FBMQAAHSGJYGGY-CQSZACIVSA-N 2 1 323.485 1.558 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000263123486 484274349 /nfs/dbraw/zinc/27/43/49/484274349.db2.gz BCLDLXLJRDUISG-SKDRFNHKSA-N 2 1 319.630 1.772 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@@H]1C(C)C ZINC000888097821 709212546 /nfs/dbraw/zinc/21/25/46/709212546.db2.gz QAGRBXKKHKPNSA-BDXSIMOUSA-N 2 1 308.466 1.793 10 0 DDAEMP C[C@]1(C[NH2+]Cc2sccc2Br)COC[C@@H]1[NH3+] ZINC000087576086 185228792 /nfs/dbraw/zinc/22/87/92/185228792.db2.gz NZBRNFLNASZVPQ-QWRGUYRKSA-N 2 1 305.241 1.964 10 0 DDAEMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C(N)=S ZINC000087832650 185232719 /nfs/dbraw/zinc/23/27/19/185232719.db2.gz XEVBLSPAQAJCES-ZDUSSCGKSA-N 2 1 307.463 1.713 10 0 DDAEMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C(N)=S ZINC000087832650 185232720 /nfs/dbraw/zinc/23/27/20/185232720.db2.gz XEVBLSPAQAJCES-ZDUSSCGKSA-N 2 1 307.463 1.713 10 0 DDAEMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C(N)=S ZINC000087832650 185232721 /nfs/dbraw/zinc/23/27/21/185232721.db2.gz XEVBLSPAQAJCES-ZDUSSCGKSA-N 2 1 307.463 1.713 10 0 DDAEMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C(N)=S ZINC000087832650 185232722 /nfs/dbraw/zinc/23/27/22/185232722.db2.gz XEVBLSPAQAJCES-ZDUSSCGKSA-N 2 1 307.463 1.713 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092680030 185333464 /nfs/dbraw/zinc/33/34/64/185333464.db2.gz WVEICNKNFICLIN-GFCCVEGCSA-N 2 1 317.480 1.312 10 0 DDAEMP CN(C[C@H]1CCC[N@H+]1C)c1ncc(Br)cc1C[NH3+] ZINC000092673259 185333027 /nfs/dbraw/zinc/33/30/27/185333027.db2.gz AWEMQOZMIAQPNK-GFCCVEGCSA-N 2 1 313.243 1.833 10 0 DDAEMP C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237450779 186290946 /nfs/dbraw/zinc/29/09/46/186290946.db2.gz ZSRCVQXSRAWZFJ-FRFSOERESA-N 2 1 301.434 1.677 10 0 DDAEMP C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237450779 186290948 /nfs/dbraw/zinc/29/09/48/186290948.db2.gz ZSRCVQXSRAWZFJ-FRFSOERESA-N 2 1 301.434 1.677 10 0 DDAEMP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195299155 201375184 /nfs/dbraw/zinc/37/51/84/201375184.db2.gz ZHMGLUBSNQWNPO-QGZVFWFLSA-N 2 1 318.465 1.704 10 0 DDAEMP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195299155 201375188 /nfs/dbraw/zinc/37/51/88/201375188.db2.gz ZHMGLUBSNQWNPO-QGZVFWFLSA-N 2 1 318.465 1.704 10 0 DDAEMP CCN(C)C(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195299155 201375190 /nfs/dbraw/zinc/37/51/90/201375190.db2.gz ZHMGLUBSNQWNPO-QGZVFWFLSA-N 2 1 318.465 1.704 10 0 DDAEMP CCN(C)C(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195299155 201375193 /nfs/dbraw/zinc/37/51/93/201375193.db2.gz ZHMGLUBSNQWNPO-QGZVFWFLSA-N 2 1 318.465 1.704 10 0 DDAEMP Cc1nn(C)c(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)c1Br ZINC000091528506 193070114 /nfs/dbraw/zinc/07/01/14/193070114.db2.gz ZYMPROXAJUQAPL-SNVBAGLBSA-N 2 1 303.248 1.701 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](CC)CCOC ZINC000093591122 193271017 /nfs/dbraw/zinc/27/10/17/193271017.db2.gz OZYOWFVSFGYXJW-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](CC)CCOC ZINC000093591122 193271018 /nfs/dbraw/zinc/27/10/18/193271018.db2.gz OZYOWFVSFGYXJW-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP [NH3+]C[C@H](c1ccc(Br)o1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094458745 193371082 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COCC[N@H+]1CCO[C@H]2C[NH+](Cc3ccncc3)CC[C@H]2C1 ZINC000247894693 257115355 /nfs/dbraw/zinc/11/53/55/257115355.db2.gz UNTHNURAHLKOQH-IRXDYDNUSA-N 2 1 305.422 1.251 10 0 DDAEMP COCC[NH+]1CCO[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2C1 ZINC000247894693 257115356 /nfs/dbraw/zinc/11/53/56/257115356.db2.gz UNTHNURAHLKOQH-IRXDYDNUSA-N 2 1 305.422 1.251 10 0 DDAEMP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2C1 ZINC000247894693 257115357 /nfs/dbraw/zinc/11/53/57/257115357.db2.gz UNTHNURAHLKOQH-IRXDYDNUSA-N 2 1 305.422 1.251 10 0 DDAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829672 407520698 /nfs/dbraw/zinc/52/06/98/407520698.db2.gz PBSZYSJLLAIRKW-XHSDSOJGSA-N 2 1 310.486 1.700 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C[C@@H]1CC ZINC000261893858 407661028 /nfs/dbraw/zinc/66/10/28/407661028.db2.gz UHPRENUGMBWDFJ-CVEARBPZSA-N 2 1 311.470 1.335 10 0 DDAEMP C[NH+](C)CC1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000178976632 407679514 /nfs/dbraw/zinc/67/95/14/407679514.db2.gz ZCRZIXQAABMONL-UYSNPLJNSA-N 2 1 308.470 1.596 10 0 DDAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000262529717 407859387 /nfs/dbraw/zinc/85/93/87/407859387.db2.gz PKCAFOXKNOFYOV-MELADBBJSA-N 2 1 306.406 1.882 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262583810 407874614 /nfs/dbraw/zinc/87/46/14/407874614.db2.gz ZLAXQVLLVQUJAP-IWCQGFGOSA-N 2 1 301.434 1.875 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262583810 407874621 /nfs/dbraw/zinc/87/46/21/407874621.db2.gz ZLAXQVLLVQUJAP-IWCQGFGOSA-N 2 1 301.434 1.875 10 0 DDAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263097190 408023446 /nfs/dbraw/zinc/02/34/46/408023446.db2.gz YYXWEKVNRKUHTE-BPLDGKMQSA-N 2 1 323.387 1.935 10 0 DDAEMP COC(=O)[C@H](c1cccnc1)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154542095 408047890 /nfs/dbraw/zinc/04/78/90/408047890.db2.gz DEKHJQDSIXABSD-HOTGVXAUSA-N 2 1 314.389 1.965 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000246426951 408253163 /nfs/dbraw/zinc/25/31/63/408253163.db2.gz STDNYWBNFQFLSY-INMHGKMJSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246426951 408253168 /nfs/dbraw/zinc/25/31/68/408253168.db2.gz STDNYWBNFQFLSY-INMHGKMJSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000246426951 408253171 /nfs/dbraw/zinc/25/31/71/408253171.db2.gz STDNYWBNFQFLSY-INMHGKMJSA-N 2 1 320.481 1.739 10 0 DDAEMP O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)NC[C@@H]1CCCO1 ZINC000151106639 408255594 /nfs/dbraw/zinc/25/55/94/408255594.db2.gz ODBIGLJCOKEDEJ-CABCVRRESA-N 2 1 318.421 1.111 10 0 DDAEMP O=C(CN1CC[C@H](CNc2ccccn2)C1)NC[C@@H]1CCCO1 ZINC000151106639 408255599 /nfs/dbraw/zinc/25/55/99/408255599.db2.gz ODBIGLJCOKEDEJ-CABCVRRESA-N 2 1 318.421 1.111 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247336985 408455601 /nfs/dbraw/zinc/45/56/01/408455601.db2.gz NGSVKPKYOROZMK-QXSJWSMHSA-N 2 1 310.486 1.887 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000247093655 408405021 /nfs/dbraw/zinc/40/50/21/408405021.db2.gz JNYUQDZNPLOIRJ-GOEBONIOSA-N 2 1 310.486 1.698 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000247095366 408405456 /nfs/dbraw/zinc/40/54/56/408405456.db2.gz JRDBTQWUNYXIEL-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000247095366 408405459 /nfs/dbraw/zinc/40/54/59/408405459.db2.gz JRDBTQWUNYXIEL-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000247095366 408405465 /nfs/dbraw/zinc/40/54/65/408405465.db2.gz JRDBTQWUNYXIEL-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000247107207 408409743 /nfs/dbraw/zinc/40/97/43/408409743.db2.gz DRHSUQKRUVGYSS-KGLIPLIRSA-N 2 1 320.441 1.145 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247390623 408461613 /nfs/dbraw/zinc/46/16/13/408461613.db2.gz QKOISHHFLSRLTC-OAGGEKHMSA-N 2 1 312.502 1.991 10 0 DDAEMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184921838 408717716 /nfs/dbraw/zinc/71/77/16/408717716.db2.gz NTFIYWLRGRMILH-WBVHZDCISA-N 2 1 318.465 1.041 10 0 DDAEMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298633 408802267 /nfs/dbraw/zinc/80/22/67/408802267.db2.gz HEECKLVZNVKBPE-GDBMZVCRSA-N 2 1 322.453 1.587 10 0 DDAEMP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298633 408802271 /nfs/dbraw/zinc/80/22/71/408802271.db2.gz HEECKLVZNVKBPE-GDBMZVCRSA-N 2 1 322.453 1.587 10 0 DDAEMP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188420907 163052381 /nfs/dbraw/zinc/05/23/81/163052381.db2.gz MZTJDWRIJJCWQX-AWEZNQCLSA-N 2 1 317.393 1.458 10 0 DDAEMP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188420907 163052383 /nfs/dbraw/zinc/05/23/83/163052383.db2.gz MZTJDWRIJJCWQX-AWEZNQCLSA-N 2 1 317.393 1.458 10 0 DDAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)nc1 ZINC000262037265 163753832 /nfs/dbraw/zinc/75/38/32/163753832.db2.gz YDXUTZDFNRFHDG-NXOAAHMSSA-N 2 1 316.449 1.407 10 0 DDAEMP COC[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637877468 422438793 /nfs/dbraw/zinc/43/87/93/422438793.db2.gz UMWRNRKHOPVOCK-HNNXBMFYSA-N 2 1 319.449 1.521 10 0 DDAEMP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649332212 423758375 /nfs/dbraw/zinc/75/83/75/423758375.db2.gz GXQRJZIOWDQZEL-MAUKXSAKSA-N 2 1 319.449 1.392 10 0 DDAEMP C[C@@]1(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261677433 274450351 /nfs/dbraw/zinc/45/03/51/274450351.db2.gz ABOWKCRAQKURHW-ZWKOTPCHSA-N 2 1 303.450 1.337 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247196560 276363224 /nfs/dbraw/zinc/36/32/24/276363224.db2.gz LLEULJFVTDRIJZ-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247196560 276363226 /nfs/dbraw/zinc/36/32/26/276363226.db2.gz LLEULJFVTDRIJZ-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247196560 276363227 /nfs/dbraw/zinc/36/32/27/276363227.db2.gz LLEULJFVTDRIJZ-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2nnnn2C2CC2)CC1 ZINC000248816009 278395791 /nfs/dbraw/zinc/39/57/91/278395791.db2.gz DPMUPKYEQPSKPV-CHWSQXEVSA-N 2 1 322.457 1.094 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2nnnn2C2CC2)CC1 ZINC000248816009 278395792 /nfs/dbraw/zinc/39/57/92/278395792.db2.gz DPMUPKYEQPSKPV-CHWSQXEVSA-N 2 1 322.457 1.094 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](C)CC1 ZINC000175556329 279173573 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FC(F)(F)c1nnc2n1CC[N@H+](CCCC[NH2+]C1CC1)C2 ZINC000081542701 192287052 /nfs/dbraw/zinc/28/70/52/192287052.db2.gz BDLDYKXPHPBIBS-UHFFFAOYSA-N 2 1 303.332 1.645 10 0 DDAEMP [NH3+]CCN(CC[NH3+])CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040575797 183104256 /nfs/dbraw/zinc/10/42/56/183104256.db2.gz KMCOYLWRSCNRGN-UHFFFAOYSA-N 3 1 307.829 1.520 10 0 DDAEMP CC(C)[NH+](CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC000105075576 194070391 /nfs/dbraw/zinc/07/03/91/194070391.db2.gz ZGASQKXPJDNZMC-INIZCTEOSA-N 2 1 310.486 1.985 10 0 DDAEMP C[C@H]1CN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)CC[N@H+]1C ZINC000110707356 194352705 /nfs/dbraw/zinc/35/27/05/194352705.db2.gz RLKMAABQIUDIQS-GWCFXTLKSA-N 2 1 311.813 1.704 10 0 DDAEMP CC[C@@]1(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CCC[NH2+]C1 ZINC000062867759 184257016 /nfs/dbraw/zinc/25/70/16/184257016.db2.gz ITBFYKLPGRPNRQ-MRXNPFEDSA-N 2 1 310.463 1.960 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121642474 195321640 /nfs/dbraw/zinc/32/16/40/195321640.db2.gz IZFWYFWIWOMRFK-HOCLYGCPSA-N 2 1 321.469 2.000 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121642474 195321642 /nfs/dbraw/zinc/32/16/42/195321642.db2.gz IZFWYFWIWOMRFK-HOCLYGCPSA-N 2 1 321.469 2.000 10 0 DDAEMP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000106916859 407367505 /nfs/dbraw/zinc/36/75/05/407367505.db2.gz ZAVQBYZNGJTKTB-RHSMWYFYSA-N 2 1 303.450 1.758 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000114481335 407584527 /nfs/dbraw/zinc/58/45/27/407584527.db2.gz LVQYQEHFOLPAJW-DOTOQJQBSA-N 2 1 322.497 1.144 10 0 DDAEMP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH2+]C1 ZINC000261979542 407699045 /nfs/dbraw/zinc/69/90/45/407699045.db2.gz AHLQMAUEBYXSIY-ZDUSSCGKSA-N 2 1 301.390 1.214 10 0 DDAEMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH2+]C1 ZINC000261979542 407699052 /nfs/dbraw/zinc/69/90/52/407699052.db2.gz AHLQMAUEBYXSIY-ZDUSSCGKSA-N 2 1 301.390 1.214 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132777437 407800618 /nfs/dbraw/zinc/80/06/18/407800618.db2.gz JVZOZFIUJWTMGI-IRXDYDNUSA-N 2 1 317.433 1.050 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132777437 407800629 /nfs/dbraw/zinc/80/06/29/407800629.db2.gz JVZOZFIUJWTMGI-IRXDYDNUSA-N 2 1 317.433 1.050 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357319 407808567 /nfs/dbraw/zinc/80/85/67/407808567.db2.gz VDQODQABHPKMBK-IZBFETAHSA-N 2 1 305.466 1.835 10 0 DDAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc(Cl)c1OC ZINC000263302856 408097778 /nfs/dbraw/zinc/09/77/78/408097778.db2.gz XIHKOKBLORURHN-ZYHUDNBSSA-N 2 1 300.786 1.027 10 0 DDAEMP CC(C)COC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171624541 162229910 /nfs/dbraw/zinc/22/99/10/162229910.db2.gz UGSQHOWQPYKDEW-WBVHZDCISA-N 2 1 316.486 1.045 10 0 DDAEMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000172192300 162263519 /nfs/dbraw/zinc/26/35/19/162263519.db2.gz VHOKOZLIPQMLRA-HUUCEWRRSA-N 2 1 310.486 1.842 10 0 DDAEMP C(CCN1CC[N@H+]2CCC[C@H]2C1)CN1CC[NH+]2CCC[C@H]2C1 ZINC000246922778 408367521 /nfs/dbraw/zinc/36/75/21/408367521.db2.gz ILZOATBZKXFVPR-ROUUACIJSA-N 2 1 306.498 1.327 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247112015 408409185 /nfs/dbraw/zinc/40/91/85/408409185.db2.gz ITBAVCVTDSBHHD-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)COC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247254299 408438497 /nfs/dbraw/zinc/43/84/97/408438497.db2.gz UGSQHOWQPYKDEW-DOTOQJQBSA-N 2 1 316.486 1.045 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000246189546 163463733 /nfs/dbraw/zinc/46/37/33/163463733.db2.gz MJVDRGQTFIYOQC-ARFHVFGLSA-N 2 1 310.486 1.985 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OCC(C)C ZINC000263253692 163939046 /nfs/dbraw/zinc/93/90/46/163939046.db2.gz QGJKGFRQJGQIIA-JKSUJKDBSA-N 2 1 322.449 1.790 10 0 DDAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000173290962 287093845 /nfs/dbraw/zinc/09/38/45/287093845.db2.gz CMZLXKOSBCWFFR-HUUCEWRRSA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000173290962 287093846 /nfs/dbraw/zinc/09/38/46/287093846.db2.gz CMZLXKOSBCWFFR-HUUCEWRRSA-N 2 1 319.449 1.275 10 0 DDAEMP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638511885 422936876 /nfs/dbraw/zinc/93/68/76/422936876.db2.gz CHEPYMIVDGTPJE-QZTJIDSGSA-N 2 1 315.461 1.965 10 0 DDAEMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638511881 422936946 /nfs/dbraw/zinc/93/69/46/422936946.db2.gz CHEPYMIVDGTPJE-MSOLQXFVSA-N 2 1 315.461 1.965 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245422626 279325668 /nfs/dbraw/zinc/32/56/68/279325668.db2.gz PXEMMKQYAYEJJN-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245422626 279325669 /nfs/dbraw/zinc/32/56/69/279325669.db2.gz PXEMMKQYAYEJJN-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000245422626 279325671 /nfs/dbraw/zinc/32/56/71/279325671.db2.gz PXEMMKQYAYEJJN-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)CCO1 ZINC000262996088 288134013 /nfs/dbraw/zinc/13/40/13/288134013.db2.gz OFXGUIVYTWZEOI-UWWQBHOKSA-N 2 1 323.481 1.606 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000333834627 289046098 /nfs/dbraw/zinc/04/60/98/289046098.db2.gz NEGDJOYHYGSQIH-VNQPRFMTSA-N 2 1 324.469 1.009 10 0 DDAEMP O[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309748014 698666807 /nfs/dbraw/zinc/66/68/07/698666807.db2.gz YIXJGBRWZLDJNW-MDMSPXHWSA-N 2 1 302.418 1.246 10 0 DDAEMP CN(C)C(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309789453 698667224 /nfs/dbraw/zinc/66/72/24/698667224.db2.gz OGXHPDWMLAEFRN-FGTMMUONSA-N 2 1 315.461 1.965 10 0 DDAEMP FC1(F)CC[NH2+]C[C@H]1CNc1cc[nH+]cc1Br ZINC000717050131 699286004 /nfs/dbraw/zinc/28/60/04/699286004.db2.gz QMTNHTKHEQXEPY-QMMMGPOBSA-N 2 1 306.154 1.923 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])oc1C ZINC000092680068 185333500 /nfs/dbraw/zinc/33/35/00/185333500.db2.gz WORZYAPPTIDPCZ-LBPRGKRZSA-N 2 1 315.439 1.152 10 0 DDAEMP CN(C[C@@H]1CCC[N@H+]1C)c1ncc(Br)cc1C[NH3+] ZINC000092673260 185333179 /nfs/dbraw/zinc/33/31/79/185333179.db2.gz AWEMQOZMIAQPNK-LBPRGKRZSA-N 2 1 313.243 1.833 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@@H+](CCC[C@@H]1CCC[NH2+]1)C2 ZINC000081546991 192287985 /nfs/dbraw/zinc/28/79/85/192287985.db2.gz LDWGKROERJOOIZ-JTQLQIEISA-N 2 1 303.332 1.645 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@H+](CCC[C@@H]1CCC[NH2+]1)C2 ZINC000081546991 192287987 /nfs/dbraw/zinc/28/79/87/192287987.db2.gz LDWGKROERJOOIZ-JTQLQIEISA-N 2 1 303.332 1.645 10 0 DDAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000193376219 201040597 /nfs/dbraw/zinc/04/05/97/201040597.db2.gz UFQQIVKOMZPXNB-CVEARBPZSA-N 2 1 307.438 1.993 10 0 DDAEMP CC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000093698427 193292801 /nfs/dbraw/zinc/29/28/01/193292801.db2.gz RBCPMHWBOVXSLG-RRFJBIMHSA-N 2 1 317.499 1.107 10 0 DDAEMP CC[N@H+](Cc1nn2c(nc(C)cc2=O)s1)CC(C)(C)C[NH3+] ZINC000093891248 193324242 /nfs/dbraw/zinc/32/42/42/193324242.db2.gz IOTIXCWQEBOVJX-UHFFFAOYSA-N 2 1 309.439 1.266 10 0 DDAEMP CC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)CC(C)(C)C[NH3+] ZINC000093891248 193324243 /nfs/dbraw/zinc/32/42/43/193324243.db2.gz IOTIXCWQEBOVJX-UHFFFAOYSA-N 2 1 309.439 1.266 10 0 DDAEMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000636281928 422775640 /nfs/dbraw/zinc/77/56/40/422775640.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 2 1 318.421 1.271 10 0 DDAEMP C[NH+]1CCC(CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105245514 194087449 /nfs/dbraw/zinc/08/74/49/194087449.db2.gz PGORYIGRFHPPEI-MRXNPFEDSA-N 2 1 308.470 1.598 10 0 DDAEMP Cc1ccc(C[NH2+]CCN2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062974953 184263501 /nfs/dbraw/zinc/26/35/01/184263501.db2.gz GARXTSHJTCTRMI-HNNXBMFYSA-N 2 1 309.479 1.553 10 0 DDAEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1O ZINC000121107997 195294147 /nfs/dbraw/zinc/29/41/47/195294147.db2.gz ADVILKQQHJJCHX-AWEZNQCLSA-N 2 1 322.449 1.925 10 0 DDAEMP CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261839804 407635633 /nfs/dbraw/zinc/63/56/33/407635633.db2.gz AIEDLYKKOOCDGE-BRWVUGGUSA-N 2 1 323.481 1.524 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)NC1CCCCC1 ZINC000261873250 407650300 /nfs/dbraw/zinc/65/03/00/407650300.db2.gz DJKAMDHXRQZLCD-BBWFWOEESA-N 2 1 323.481 1.572 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048443 407724041 /nfs/dbraw/zinc/72/40/41/407724041.db2.gz ZIWQYBNBJRHJGG-IPMKNSEASA-N 2 1 317.477 1.865 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000262202294 407762416 /nfs/dbraw/zinc/76/24/16/407762416.db2.gz DDBHHFKIKCNAOG-QGZVFWFLSA-N 2 1 319.449 1.331 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262400500 407826694 /nfs/dbraw/zinc/82/66/94/407826694.db2.gz YNGDMGPMMAWTKR-CJNGLKHVSA-N 2 1 309.454 1.277 10 0 DDAEMP C[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246281784 408204394 /nfs/dbraw/zinc/20/43/94/408204394.db2.gz KBJZSKNJDPAOJK-ILXRZTDVSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246367896 408234603 /nfs/dbraw/zinc/23/46/03/408234603.db2.gz QWINPZCNPGWMHX-SJORKVTESA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246367896 408234610 /nfs/dbraw/zinc/23/46/10/408234610.db2.gz QWINPZCNPGWMHX-SJORKVTESA-N 2 1 303.450 1.760 10 0 DDAEMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184921820 408718281 /nfs/dbraw/zinc/71/82/81/408718281.db2.gz NTFIYWLRGRMILH-RDJZCZTQSA-N 2 1 318.465 1.041 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000193723433 408738816 /nfs/dbraw/zinc/73/88/16/408738816.db2.gz ADHKINMOWAZGNS-JYJNAYRXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000193723433 408738820 /nfs/dbraw/zinc/73/88/20/408738820.db2.gz ADHKINMOWAZGNS-JYJNAYRXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000193723433 408738825 /nfs/dbraw/zinc/73/88/25/408738825.db2.gz ADHKINMOWAZGNS-JYJNAYRXSA-N 2 1 310.486 1.890 10 0 DDAEMP Cc1cccc(NC[C@H]2CCN(Cc3nc(N(C)C)no3)C2)n1 ZINC000185264694 408788968 /nfs/dbraw/zinc/78/89/68/408788968.db2.gz NXITXWQKEXVKEQ-CYBMUJFWSA-N 2 1 316.409 1.773 10 0 DDAEMP Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)nc12 ZINC000262556848 163849274 /nfs/dbraw/zinc/84/92/74/163849274.db2.gz UKXWBLAMKGIDED-HNNXBMFYSA-N 2 1 300.406 1.577 10 0 DDAEMP Cc1cccn2c(=O)cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)nc12 ZINC000262556848 163849276 /nfs/dbraw/zinc/84/92/76/163849276.db2.gz UKXWBLAMKGIDED-HNNXBMFYSA-N 2 1 300.406 1.577 10 0 DDAEMP Cc1cnn(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000634645178 422527940 /nfs/dbraw/zinc/52/79/40/422527940.db2.gz IPPJXYWKZIGBJV-GOSISDBHSA-N 2 1 314.433 1.418 10 0 DDAEMP Cc1cnn(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000634645178 422527943 /nfs/dbraw/zinc/52/79/43/422527943.db2.gz IPPJXYWKZIGBJV-GOSISDBHSA-N 2 1 314.433 1.418 10 0 DDAEMP C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658238810 424615907 /nfs/dbraw/zinc/61/59/07/424615907.db2.gz IWLNZWHMKBJVEB-CGTJXYLNSA-N 2 1 315.461 1.965 10 0 DDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246684265 280321961 /nfs/dbraw/zinc/32/19/61/280321961.db2.gz HRIROBZTJPMMPP-HOTGVXAUSA-N 2 1 309.454 1.086 10 0 DDAEMP C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991896 308207474 /nfs/dbraw/zinc/20/74/74/308207474.db2.gz AXQMOEMXMBAKOB-WDSOQIARSA-N 2 1 317.477 1.601 10 0 DDAEMP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991896 308207476 /nfs/dbraw/zinc/20/74/76/308207476.db2.gz AXQMOEMXMBAKOB-WDSOQIARSA-N 2 1 317.477 1.601 10 0 DDAEMP O=C(CNc1cc[nH+]c2cc(Cl)ccc12)N1CC[NH2+]CC1 ZINC000037716296 337367472 /nfs/dbraw/zinc/36/74/72/337367472.db2.gz NXAXNKYRONOGCZ-UHFFFAOYSA-N 2 1 304.781 1.732 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000181687719 539238111 /nfs/dbraw/zinc/23/81/11/539238111.db2.gz HFJMFFHVWVGOGH-JKSUJKDBSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000181687719 539238113 /nfs/dbraw/zinc/23/81/13/539238113.db2.gz HFJMFFHVWVGOGH-JKSUJKDBSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000181687719 539238115 /nfs/dbraw/zinc/23/81/15/539238115.db2.gz HFJMFFHVWVGOGH-JKSUJKDBSA-N 2 1 323.456 1.644 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000330323993 282199744 /nfs/dbraw/zinc/19/97/44/282199744.db2.gz TYKIMBASJFRAGM-HUUCEWRRSA-N 2 1 312.421 1.891 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000330323993 282199745 /nfs/dbraw/zinc/19/97/45/282199745.db2.gz TYKIMBASJFRAGM-HUUCEWRRSA-N 2 1 312.421 1.891 10 0 DDAEMP [NH3+]C[C@H]1c2cccc(Cl)c2CN1CCC[NH+]1CCOCC1 ZINC000071683243 191006919 /nfs/dbraw/zinc/00/69/19/191006919.db2.gz LFTQTQVEZPYLRL-INIZCTEOSA-N 2 1 309.841 1.878 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000150752129 186063738 /nfs/dbraw/zinc/06/37/38/186063738.db2.gz HFRJRPPCQGIHEQ-IAGOWNOFSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000150752129 186063740 /nfs/dbraw/zinc/06/37/40/186063740.db2.gz HFRJRPPCQGIHEQ-IAGOWNOFSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000150752129 186063742 /nfs/dbraw/zinc/06/37/42/186063742.db2.gz HFRJRPPCQGIHEQ-IAGOWNOFSA-N 2 1 322.497 1.844 10 0 DDAEMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000262676777 354395979 /nfs/dbraw/zinc/39/59/79/354395979.db2.gz UJWWOHSNBNBAMU-QXSJWSMHSA-N 2 1 311.470 1.510 10 0 DDAEMP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000073402180 191312708 /nfs/dbraw/zinc/31/27/08/191312708.db2.gz GYBCQQWXESVMRW-OAHLLOKOSA-N 2 1 316.449 1.719 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@@H+](CCC[C@H]1CCC[NH2+]1)C2 ZINC000081546990 192287824 /nfs/dbraw/zinc/28/78/24/192287824.db2.gz LDWGKROERJOOIZ-SNVBAGLBSA-N 2 1 303.332 1.645 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@H+](CCC[C@H]1CCC[NH2+]1)C2 ZINC000081546990 192287826 /nfs/dbraw/zinc/28/78/26/192287826.db2.gz LDWGKROERJOOIZ-SNVBAGLBSA-N 2 1 303.332 1.645 10 0 DDAEMP CC[N@@H+]1CCO[C@@H](COc2c(Cl)cc(C[NH3+])cc2OC)C1 ZINC000092050984 193148056 /nfs/dbraw/zinc/14/80/56/193148056.db2.gz LZKWBNVIAATDGQ-GFCCVEGCSA-N 2 1 314.813 1.907 10 0 DDAEMP CC[N@H+]1CCO[C@@H](COc2c(Cl)cc(C[NH3+])cc2OC)C1 ZINC000092050984 193148057 /nfs/dbraw/zinc/14/80/57/193148057.db2.gz LZKWBNVIAATDGQ-GFCCVEGCSA-N 2 1 314.813 1.907 10 0 DDAEMP CCC[C@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702644 193295754 /nfs/dbraw/zinc/29/57/54/193295754.db2.gz OIKCEFNSPAHQLQ-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP CCC[C@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702644 193295756 /nfs/dbraw/zinc/29/57/56/193295756.db2.gz OIKCEFNSPAHQLQ-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP CCC[N@H+](CC(=O)NCCCOC(C)C)CC(C)(C)C[NH3+] ZINC000093891967 193324338 /nfs/dbraw/zinc/32/43/38/193324338.db2.gz BSRIPLNZIYNOKE-UHFFFAOYSA-N 2 1 301.475 1.615 10 0 DDAEMP CCC[N@@H+](CC(=O)NCCCOC(C)C)CC(C)(C)C[NH3+] ZINC000093891967 193324340 /nfs/dbraw/zinc/32/43/40/193324340.db2.gz BSRIPLNZIYNOKE-UHFFFAOYSA-N 2 1 301.475 1.615 10 0 DDAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000043014496 183327355 /nfs/dbraw/zinc/32/73/55/183327355.db2.gz KHVCMLXJLBCQOD-HZPDHXFCSA-N 2 1 311.857 1.728 10 0 DDAEMP CC(C)c1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000105862739 194149767 /nfs/dbraw/zinc/14/97/67/194149767.db2.gz QCDSZYRDVCHAFS-CQSZACIVSA-N 2 1 323.485 1.463 10 0 DDAEMP CC(C)c1nnc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000105862739 194149770 /nfs/dbraw/zinc/14/97/70/194149770.db2.gz QCDSZYRDVCHAFS-CQSZACIVSA-N 2 1 323.485 1.463 10 0 DDAEMP C[N@@H+]1[C@@H]2CC[NH+](CC3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248063488 257110751 /nfs/dbraw/zinc/11/07/51/257110751.db2.gz VLWAYAQAKYAQNM-OKZBNKHCSA-N 2 1 318.465 1.704 10 0 DDAEMP C[NH+]1[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248063488 257110752 /nfs/dbraw/zinc/11/07/52/257110752.db2.gz VLWAYAQAKYAQNM-OKZBNKHCSA-N 2 1 318.465 1.704 10 0 DDAEMP C[NH+]1[C@@H]2CC[N@H+](CC3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248063488 257110753 /nfs/dbraw/zinc/11/07/53/257110753.db2.gz VLWAYAQAKYAQNM-OKZBNKHCSA-N 2 1 318.465 1.704 10 0 DDAEMP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000261981428 296632381 /nfs/dbraw/zinc/63/23/81/296632381.db2.gz RSPASCIJLBIKCG-CAOSSQGBSA-N 2 1 304.438 1.507 10 0 DDAEMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)C1(C)C ZINC000249098168 286304865 /nfs/dbraw/zinc/30/48/65/286304865.db2.gz JATJXXYSYVQCRT-CKEIUWERSA-N 2 1 311.470 1.462 10 0 DDAEMP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000106916861 407367253 /nfs/dbraw/zinc/36/72/53/407367253.db2.gz ZAVQBYZNGJTKTB-PBHICJAKSA-N 2 1 303.450 1.758 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170854896 407530207 /nfs/dbraw/zinc/53/02/07/407530207.db2.gz XVPDLMVTBGNMMS-FZKCQIBNSA-N 2 1 311.470 1.283 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170854896 407530209 /nfs/dbraw/zinc/53/02/09/407530209.db2.gz XVPDLMVTBGNMMS-FZKCQIBNSA-N 2 1 311.470 1.283 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]12 ZINC000262584413 407874320 /nfs/dbraw/zinc/87/43/20/407874320.db2.gz ZMLUWQPYDGDBPH-LERXQTSPSA-N 2 1 318.808 1.517 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000263251848 408077216 /nfs/dbraw/zinc/07/72/16/408077216.db2.gz QAQNDDRTLWUOPS-RNCFNFMXSA-N 2 1 308.332 1.025 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000247531625 408490001 /nfs/dbraw/zinc/49/00/01/408490001.db2.gz ZXPWDTSKHVYNPJ-OAGGEKHMSA-N 2 1 310.486 1.889 10 0 DDAEMP CCCCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247392890 408462305 /nfs/dbraw/zinc/46/23/05/408462305.db2.gz XKECUIXLZGHHQQ-GJZGRUSLSA-N 2 1 313.486 1.316 10 0 DDAEMP C(CN1CC[NH+]2CCCC[C@@H]2C1)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000248331267 408548360 /nfs/dbraw/zinc/54/83/60/408548360.db2.gz DXPONNDDKZBPJJ-RTBURBONSA-N 2 1 320.525 1.717 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000246434713 163487717 /nfs/dbraw/zinc/48/77/17/163487717.db2.gz NLVBLXWMJCTEOG-ZIAGYGMSSA-N 2 1 322.457 1.295 10 0 DDAEMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccccc2Cl)n1 ZINC000263240762 163936672 /nfs/dbraw/zinc/93/66/72/163936672.db2.gz OOOMLMCMZZPTTC-ABAIWWIYSA-N 2 1 320.824 1.410 10 0 DDAEMP C[C@H]1C[C@@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637933859 422489379 /nfs/dbraw/zinc/48/93/79/422489379.db2.gz KBLQLAHVUHOURS-HOCLYGCPSA-N 2 1 301.434 1.895 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245574 424619444 /nfs/dbraw/zinc/61/94/44/424619444.db2.gz SJDZTTOYUUNZHI-BPQIPLTHSA-N 2 1 315.461 1.965 10 0 DDAEMP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000111606361 278196342 /nfs/dbraw/zinc/19/63/42/278196342.db2.gz RNLHPMVUGUCOSG-YOEHRIQHSA-N 2 1 301.434 1.596 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185795568 279294610 /nfs/dbraw/zinc/29/46/10/279294610.db2.gz ZRRVYBOYBUMTRY-OAHLLOKOSA-N 2 1 310.486 1.892 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000247108727 280376683 /nfs/dbraw/zinc/37/66/83/280376683.db2.gz NBMLQPDPVXYVBZ-HZPDHXFCSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC000247108727 280376684 /nfs/dbraw/zinc/37/66/84/280376684.db2.gz NBMLQPDPVXYVBZ-HZPDHXFCSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000247108727 280376686 /nfs/dbraw/zinc/37/66/86/280376686.db2.gz NBMLQPDPVXYVBZ-HZPDHXFCSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC000247108727 280376688 /nfs/dbraw/zinc/37/66/88/280376688.db2.gz NBMLQPDPVXYVBZ-HZPDHXFCSA-N 2 1 311.470 1.430 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000247914071 289313990 /nfs/dbraw/zinc/31/39/90/289313990.db2.gz ARRWLZPPRKBQTM-IKGGRYGDSA-N 2 1 316.449 1.777 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248845967 698381848 /nfs/dbraw/zinc/38/18/48/698381848.db2.gz NDKYQKQEOKZLSS-GOEBONIOSA-N 2 1 324.465 1.497 10 0 DDAEMP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000262395619 698467943 /nfs/dbraw/zinc/46/79/43/698467943.db2.gz BUGAGXLSRMSXOE-LNSITVRQSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000262395619 698467945 /nfs/dbraw/zinc/46/79/45/698467945.db2.gz BUGAGXLSRMSXOE-LNSITVRQSA-N 2 1 306.406 1.882 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000220940525 539265047 /nfs/dbraw/zinc/26/50/47/539265047.db2.gz KUOGODJEKVZAGG-WCQYABFASA-N 2 1 307.360 1.471 10 0 DDAEMP C[N@@H+](CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171903938 198004752 /nfs/dbraw/zinc/00/47/52/198004752.db2.gz CJSXCYNDLKOAAR-QGZVFWFLSA-N 2 1 316.449 1.608 10 0 DDAEMP C[NH+](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171903938 198004754 /nfs/dbraw/zinc/00/47/54/198004754.db2.gz CJSXCYNDLKOAAR-QGZVFWFLSA-N 2 1 316.449 1.608 10 0 DDAEMP C[NH+](CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171903938 198004756 /nfs/dbraw/zinc/00/47/56/198004756.db2.gz CJSXCYNDLKOAAR-QGZVFWFLSA-N 2 1 316.449 1.608 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000175607541 354258460 /nfs/dbraw/zinc/25/84/60/354258460.db2.gz ROSCGAHCTDFEJK-HZPDHXFCSA-N 2 1 311.470 1.380 10 0 DDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000156764515 354221831 /nfs/dbraw/zinc/22/18/31/354221831.db2.gz CABWLJXTJFZPSP-JKSUJKDBSA-N 2 1 312.502 1.944 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000237935801 202396095 /nfs/dbraw/zinc/39/60/95/202396095.db2.gz DWHDOKCANBJKQG-IAGOWNOFSA-N 2 1 301.434 1.501 10 0 DDAEMP CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508450 183086206 /nfs/dbraw/zinc/08/62/06/183086206.db2.gz MWNWAYCDOPRHGM-HNNXBMFYSA-N 2 1 307.463 1.707 10 0 DDAEMP Cc1cc2c(ncnc2N2CCC[N@@H+](CCC[NH3+])CC2)s1 ZINC000110779027 194358581 /nfs/dbraw/zinc/35/85/81/194358581.db2.gz ZUTOQCHAYQCGNR-UHFFFAOYSA-N 2 1 305.451 1.861 10 0 DDAEMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261883940 407654571 /nfs/dbraw/zinc/65/45/71/407654571.db2.gz FQKLWUYKPISMGE-OAGGEKHMSA-N 2 1 323.481 1.382 10 0 DDAEMP Cc1cccc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)[nH+]1 ZINC000262101485 407740851 /nfs/dbraw/zinc/74/08/51/407740851.db2.gz IUEZKXUZOFBZOE-GJZGRUSLSA-N 2 1 302.422 1.475 10 0 DDAEMP C[C@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1CCO ZINC000187686074 407880524 /nfs/dbraw/zinc/88/05/24/407880524.db2.gz IUEBIYRHGXPBOL-HNNXBMFYSA-N 2 1 309.429 1.256 10 0 DDAEMP C[C@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000187686074 407880530 /nfs/dbraw/zinc/88/05/30/407880530.db2.gz IUEBIYRHGXPBOL-HNNXBMFYSA-N 2 1 309.429 1.256 10 0 DDAEMP C[C@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000187686074 407880537 /nfs/dbraw/zinc/88/05/37/407880537.db2.gz IUEBIYRHGXPBOL-HNNXBMFYSA-N 2 1 309.429 1.256 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000263177645 408047417 /nfs/dbraw/zinc/04/74/17/408047417.db2.gz GHZNFPUMESYRMU-VXGBXAGGSA-N 2 1 316.348 1.357 10 0 DDAEMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[NH2+]C2)C1 ZINC000263272858 408084583 /nfs/dbraw/zinc/08/45/83/408084583.db2.gz IHIDTMGUIICKDB-AWEZNQCLSA-N 2 1 301.434 1.754 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246026322 408122172 /nfs/dbraw/zinc/12/21/72/408122172.db2.gz RDQDWKRZQOAKBR-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176213581 408312270 /nfs/dbraw/zinc/31/22/70/408312270.db2.gz IJPZQEJVAFGDBY-SJORKVTESA-N 2 1 319.424 1.953 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176213581 408312275 /nfs/dbraw/zinc/31/22/75/408312275.db2.gz IJPZQEJVAFGDBY-SJORKVTESA-N 2 1 319.424 1.953 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000173508229 162343559 /nfs/dbraw/zinc/34/35/59/162343559.db2.gz FNPDKESZVRPFOC-RDJZCZTQSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247505497 408483063 /nfs/dbraw/zinc/48/30/63/408483063.db2.gz VJLOKSKFFDCBMB-WCXIOVBPSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247505497 408483065 /nfs/dbraw/zinc/48/30/65/408483065.db2.gz VJLOKSKFFDCBMB-WCXIOVBPSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247505497 408483068 /nfs/dbraw/zinc/48/30/68/408483068.db2.gz VJLOKSKFFDCBMB-WCXIOVBPSA-N 2 1 322.497 1.985 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192639846 408621753 /nfs/dbraw/zinc/62/17/53/408621753.db2.gz OVTVOBZHFAJYGJ-NVXWUHKLSA-N 2 1 305.466 1.946 10 0 DDAEMP CCC[C@H](C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)[NH+](C)C ZINC000162128633 408674048 /nfs/dbraw/zinc/67/40/48/408674048.db2.gz MNKVSIGZLQEKGV-JKSUJKDBSA-N 2 1 312.502 1.107 10 0 DDAEMP C[C@H]([NH3+])[C@H]1CN([C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000253370629 408814115 /nfs/dbraw/zinc/81/41/15/408814115.db2.gz UBYXGWGQSXDALW-KCITZHQASA-N 2 1 317.477 1.945 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C[N@H+]1Cc1ccccc1 ZINC000649343820 423776304 /nfs/dbraw/zinc/77/63/04/423776304.db2.gz YAHUWGHGCGMWOE-PVAVHDDUSA-N 2 1 317.433 1.002 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588233 699250316 /nfs/dbraw/zinc/25/03/16/699250316.db2.gz AULHDUYJTYVXEO-AKBUMOGYSA-N 2 1 301.434 1.608 10 0 DDAEMP Cc1n[nH]cc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886044639 708688058 /nfs/dbraw/zinc/68/80/58/708688058.db2.gz DYXWTVHHLIYQEF-KRWDZBQOSA-N 2 1 315.421 1.828 10 0 DDAEMP COc1ccc(C[NH+]2CCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095498878 185374564 /nfs/dbraw/zinc/37/45/64/185374564.db2.gz LMYRDNFFCMVWDL-INIZCTEOSA-N 2 1 320.433 1.736 10 0 DDAEMP CCOCCOC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164514 185240870 /nfs/dbraw/zinc/24/08/70/185240870.db2.gz YGGRAHRDIDLZAI-UYTSQGDYSA-N 2 1 300.443 1.005 10 0 DDAEMP C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248587794 539272243 /nfs/dbraw/zinc/27/22/43/539272243.db2.gz QNSYGXZIELEXPT-ZMSDIMECSA-N 2 1 323.481 1.212 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000092626702 185329603 /nfs/dbraw/zinc/32/96/03/185329603.db2.gz CCANWTJPIBLHBL-CQSZACIVSA-N 2 1 311.451 1.250 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000092634025 185330178 /nfs/dbraw/zinc/33/01/78/185330178.db2.gz FSPFKFZVMZBZEP-NSHDSACASA-N 2 1 317.480 1.312 10 0 DDAEMP CC[C@H](CC[NH3+])[N@@H+]1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185664 192009970 /nfs/dbraw/zinc/00/99/70/192009970.db2.gz BJDGTXKNFMMEHW-CQSZACIVSA-N 2 1 319.515 1.497 10 0 DDAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185664 192009973 /nfs/dbraw/zinc/00/99/73/192009973.db2.gz BJDGTXKNFMMEHW-CQSZACIVSA-N 2 1 319.515 1.497 10 0 DDAEMP C[NH2+][C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000262310256 203258553 /nfs/dbraw/zinc/25/85/53/203258553.db2.gz CUXFQNPSTJBIBZ-MRXNPFEDSA-N 2 1 315.421 1.423 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCCOC ZINC000093593569 193271941 /nfs/dbraw/zinc/27/19/41/193271941.db2.gz XPUREGUUSVMGGM-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)CCCOC ZINC000093593569 193271943 /nfs/dbraw/zinc/27/19/43/193271943.db2.gz XPUREGUUSVMGGM-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CS(=O)(=O)N1CCC[C@H](C[N@@H+](CCC[NH3+])C2CCCC2)C1 ZINC000093695949 193291469 /nfs/dbraw/zinc/29/14/69/193291469.db2.gz HOXLFKSISKONBA-CQSZACIVSA-N 2 1 317.499 1.251 10 0 DDAEMP C[NH2+]CCC[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872857 182251095 /nfs/dbraw/zinc/25/10/95/182251095.db2.gz STSOYIBTKWIQGH-UHFFFAOYSA-N 2 1 301.390 1.403 10 0 DDAEMP [NH3+]CC1C[NH+](C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000039952175 183023864 /nfs/dbraw/zinc/02/38/64/183023864.db2.gz MEEVJYVYMSJHKM-UHFFFAOYSA-N 2 1 303.406 1.678 10 0 DDAEMP CC(C)[C@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862311 194150605 /nfs/dbraw/zinc/15/06/05/194150605.db2.gz AUNBRDCGIUKTKT-CABCVRRESA-N 2 1 313.486 1.172 10 0 DDAEMP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062097015 184206068 /nfs/dbraw/zinc/20/60/68/184206068.db2.gz KCMDUPOQLUUXMI-CYBMUJFWSA-N 2 1 305.488 1.120 10 0 DDAEMP Cc1nc[nH]c1C[N@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCOCC3)[C@@H]2C1 ZINC000247998773 257111500 /nfs/dbraw/zinc/11/15/00/257111500.db2.gz BEUWYYKJKWXXRK-IKGGRYGDSA-N 2 1 318.465 1.898 10 0 DDAEMP C[NH+](C)CCN1C(=O)CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000248013385 257111886 /nfs/dbraw/zinc/11/18/86/257111886.db2.gz PVJJMOGAERWUJT-JKSUJKDBSA-N 2 1 302.422 1.209 10 0 DDAEMP Cc1cc(C[N@@H+]2C[C@@H]3OC[C@H](C[NH+]4CCCC4)[C@@H]3C2)n(C)n1 ZINC000503717851 257208528 /nfs/dbraw/zinc/20/85/28/257208528.db2.gz CJYMHFNECKSPEJ-XIRDDKMYSA-N 2 1 304.438 1.271 10 0 DDAEMP Cc1cc(C[N@H+]2C[C@@H]3OC[C@H](C[NH+]4CCCC4)[C@@H]3C2)n(C)n1 ZINC000503717851 257208530 /nfs/dbraw/zinc/20/85/30/257208530.db2.gz CJYMHFNECKSPEJ-XIRDDKMYSA-N 2 1 304.438 1.271 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CCCCC1 ZINC000261936070 407678642 /nfs/dbraw/zinc/67/86/42/407678642.db2.gz MFVQCKXLYAFHLG-BZUAXINKSA-N 2 1 309.454 1.136 10 0 DDAEMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000130487905 407693406 /nfs/dbraw/zinc/69/34/06/407693406.db2.gz GIAWAEYODIIZDY-HNNXBMFYSA-N 2 1 304.438 1.992 10 0 DDAEMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000130487905 407693412 /nfs/dbraw/zinc/69/34/12/407693412.db2.gz GIAWAEYODIIZDY-HNNXBMFYSA-N 2 1 304.438 1.992 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262059463 407725837 /nfs/dbraw/zinc/72/58/37/407725837.db2.gz ASNSDVHKFKDNJR-WBVHZDCISA-N 2 1 323.481 1.478 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262059463 407725841 /nfs/dbraw/zinc/72/58/41/407725841.db2.gz ASNSDVHKFKDNJR-WBVHZDCISA-N 2 1 323.481 1.478 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C[C@@H]12 ZINC000262566274 407869085 /nfs/dbraw/zinc/86/90/85/407869085.db2.gz WRTPLEZZHWVRLB-MZBWOGCUSA-N 2 1 305.466 1.837 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C[C@@H]12 ZINC000262566274 407869089 /nfs/dbraw/zinc/86/90/89/407869089.db2.gz WRTPLEZZHWVRLB-MZBWOGCUSA-N 2 1 305.466 1.837 10 0 DDAEMP COc1sc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1Br ZINC000263211728 408058473 /nfs/dbraw/zinc/05/84/73/408058473.db2.gz KICOUEDRMVWMOK-GMSGAONNSA-N 2 1 321.240 1.189 10 0 DDAEMP Cn1cc(C[N@@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000132290197 162033687 /nfs/dbraw/zinc/03/36/87/162033687.db2.gz CCSYVZMXBNIEOL-UHFFFAOYSA-N 2 1 305.470 1.414 10 0 DDAEMP Cn1cc(C[N@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000132290197 162033690 /nfs/dbraw/zinc/03/36/90/162033690.db2.gz CCSYVZMXBNIEOL-UHFFFAOYSA-N 2 1 305.470 1.414 10 0 DDAEMP C[NH+](C)CCCCCCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171904789 162246438 /nfs/dbraw/zinc/24/64/38/162246438.db2.gz PITXJNFJJXLDTP-MRXNPFEDSA-N 2 1 310.486 1.988 10 0 DDAEMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246932906 408370904 /nfs/dbraw/zinc/37/09/04/408370904.db2.gz HEECKLVZNVKBPE-HOCLYGCPSA-N 2 1 322.453 1.587 10 0 DDAEMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246932906 408370908 /nfs/dbraw/zinc/37/09/08/408370908.db2.gz HEECKLVZNVKBPE-HOCLYGCPSA-N 2 1 322.453 1.587 10 0 DDAEMP Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000192575805 408614731 /nfs/dbraw/zinc/61/47/31/408614731.db2.gz QXMGBDOGJBGHTG-ZIAGYGMSSA-N 2 1 322.453 1.576 10 0 DDAEMP Cc1c[nH+]ccc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000192568665 163228239 /nfs/dbraw/zinc/22/82/39/163228239.db2.gz QNPKZWQTPQODSX-KRWDZBQOSA-N 2 1 318.465 1.621 10 0 DDAEMP 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COCCC[N@@H+](CCOC)[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093856805 193319424 /nfs/dbraw/zinc/31/94/24/193319424.db2.gz FWZDMKFJVULWTD-HZPDHXFCSA-N 2 1 300.443 1.007 10 0 DDAEMP CCC[NH2+][C@@]1(CO)CC[C@@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093856798 193319556 /nfs/dbraw/zinc/31/95/56/193319556.db2.gz NIXIMAFDYVPAJQ-CVEARBPZSA-N 2 1 302.459 1.255 10 0 DDAEMP NC(=[NH2+])c1c(Cl)cccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062980612 184264562 /nfs/dbraw/zinc/26/45/62/184264562.db2.gz VSUYENVKEHFVMF-NSHDSACASA-N 2 1 308.813 1.535 10 0 DDAEMP C[NH+](C)CCN1C(=O)C[C@H]2[C@H]1CC[N@H+]2Cc1cccc(F)c1 ZINC000248042075 257110535 /nfs/dbraw/zinc/11/05/35/257110535.db2.gz VSTMBKDPOQSBCS-CVEARBPZSA-N 2 1 305.397 1.563 10 0 DDAEMP COCC[N@H+]1CCO[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000503718360 257208921 /nfs/dbraw/zinc/20/89/21/257208921.db2.gz RZIWOBNTOHIAOJ-NVXWUHKLSA-N 2 1 308.397 1.605 10 0 DDAEMP Cc1noc([C@@]23C[N@@H+](CC(C)C)C[C@@H]2CCN(CCCO)C3)n1 ZINC000257193544 407486623 /nfs/dbraw/zinc/48/66/23/407486623.db2.gz YSTGRFVVGWJNGT-RDJZCZTQSA-N 2 1 322.453 1.292 10 0 DDAEMP Brc1c[nH+]ccc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261571460 407544377 /nfs/dbraw/zinc/54/43/77/407544377.db2.gz LBKKWYGLUBLTFQ-LLVKDONJSA-N 2 1 311.227 1.328 10 0 DDAEMP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261867194 407646441 /nfs/dbraw/zinc/64/64/41/407646441.db2.gz CRYINBSHNUUMQC-UXLLHSPISA-N 2 1 314.433 1.783 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CCCCCC1 ZINC000261867160 407648075 /nfs/dbraw/zinc/64/80/75/407648075.db2.gz CRRBXKGRRUFMHB-BRWVUGGUSA-N 2 1 323.481 1.526 10 0 DDAEMP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261942327 407681990 /nfs/dbraw/zinc/68/19/90/407681990.db2.gz NAIOCLOOZWDTEV-BRWVUGGUSA-N 2 1 303.450 1.999 10 0 DDAEMP c1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261940997 407682775 /nfs/dbraw/zinc/68/27/75/407682775.db2.gz MUMRCVPWLOEZMA-KURKYZTESA-N 2 1 304.434 1.950 10 0 DDAEMP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000261981432 407701107 /nfs/dbraw/zinc/70/11/07/407701107.db2.gz RSPASCIJLBIKCG-JJXSEGSLSA-N 2 1 304.438 1.507 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262310106 407794694 /nfs/dbraw/zinc/79/46/94/407794694.db2.gz OYZCTIPEWGYHOI-YOEHRIQHSA-N 2 1 319.449 1.508 10 0 DDAEMP [NH3+]Cc1nc(CN2CCC[N@H+](Cc3ccccc3)CC2)no1 ZINC000262299403 407788522 /nfs/dbraw/zinc/78/85/22/407788522.db2.gz XFJYIOYJUOMKFO-UHFFFAOYSA-N 2 1 301.394 1.236 10 0 DDAEMP [NH3+]Cc1nc(CN2CCC[N@@H+](Cc3ccccc3)CC2)no1 ZINC000262299403 407788524 /nfs/dbraw/zinc/78/85/24/407788524.db2.gz XFJYIOYJUOMKFO-UHFFFAOYSA-N 2 1 301.394 1.236 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000263223105 408065155 /nfs/dbraw/zinc/06/51/55/408065155.db2.gz MGXQTRMEVHRLFD-ROUUACIJSA-N 2 1 312.413 1.936 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000263268767 408084599 /nfs/dbraw/zinc/08/45/99/408084599.db2.gz RWENQOPJVZPDSY-BXKDBHETSA-N 2 1 303.175 1.258 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246382295 408239172 /nfs/dbraw/zinc/23/91/72/408239172.db2.gz ZQMQPTYKNWMGAX-OTBWCIGPSA-N 2 1 322.497 1.985 10 0 DDAEMP CO[C@@H](C)c1noc(CN2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246941411 408373187 /nfs/dbraw/zinc/37/31/87/408373187.db2.gz HOWDCESLMNETCS-AAEUAGOBSA-N 2 1 305.382 1.947 10 0 DDAEMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000247219814 408430935 /nfs/dbraw/zinc/43/09/35/408430935.db2.gz YJEWLLNJUANVBF-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185170011 408772891 /nfs/dbraw/zinc/77/28/91/408772891.db2.gz VXMAFISELFZEFV-HZPDHXFCSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+](C)C1CC1 ZINC000381845422 418729842 /nfs/dbraw/zinc/72/98/42/418729842.db2.gz AKCGUQAMASWLBF-YJBOKZPZSA-N 2 1 305.466 1.552 10 0 DDAEMP C[C@@H](C[NH+](C)Cc1ccccc1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000381845422 418729843 /nfs/dbraw/zinc/72/98/43/418729843.db2.gz AKCGUQAMASWLBF-YJBOKZPZSA-N 2 1 305.466 1.552 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638837278 423151743 /nfs/dbraw/zinc/15/17/43/423151743.db2.gz YRXIXPQQPHZHIQ-UBDQQSCGSA-N 2 1 315.461 1.998 10 0 DDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC2CC[NH2+]CC2)C1 ZINC000665285167 424774211 /nfs/dbraw/zinc/77/42/11/424774211.db2.gz FOOBDNPSRZSQRB-GOSISDBHSA-N 2 1 302.466 1.144 10 0 DDAEMP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000665285167 424774212 /nfs/dbraw/zinc/77/42/12/424774212.db2.gz FOOBDNPSRZSQRB-GOSISDBHSA-N 2 1 302.466 1.144 10 0 DDAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246376091 278252629 /nfs/dbraw/zinc/25/26/29/278252629.db2.gz GYNQMKWACYYZLS-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[N@@H+](C)[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246862028 279044443 /nfs/dbraw/zinc/04/44/43/279044443.db2.gz DYXITTRSCWGIEQ-IRXDYDNUSA-N 2 1 319.449 1.468 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000263111965 484274636 /nfs/dbraw/zinc/27/46/36/484274636.db2.gz AIHINQBDPXWARJ-DGCLKSJQSA-N 2 1 304.312 1.298 10 0 DDAEMP O=C(NC1CC1)c1noc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000262021990 501050670 /nfs/dbraw/zinc/05/06/70/501050670.db2.gz WFWNFFPMSGCXDH-ZDUSSCGKSA-N 2 1 319.409 1.098 10 0 DDAEMP CN(C)c1cc[nH+]c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000154345665 522304749 /nfs/dbraw/zinc/30/47/49/522304749.db2.gz SQYYLAMACTVLFV-HUUCEWRRSA-N 2 1 319.453 1.722 10 0 DDAEMP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[C@@H](C)[NH3+])CC2)cn1 ZINC000261845525 698440669 /nfs/dbraw/zinc/44/06/69/698440669.db2.gz PWOAOPYZWIDRPI-CQSZACIVSA-N 2 1 307.442 1.065 10 0 DDAEMP CCCn1cc(C[N@H+]2CCCN(C(=O)C[C@@H](C)[NH3+])CC2)cn1 ZINC000261845525 698440671 /nfs/dbraw/zinc/44/06/71/698440671.db2.gz PWOAOPYZWIDRPI-CQSZACIVSA-N 2 1 307.442 1.065 10 0 DDAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261966071 698447805 /nfs/dbraw/zinc/44/78/05/698447805.db2.gz QATUTTOYKLPLQV-KZNAEPCWSA-N 2 1 304.434 1.984 10 0 DDAEMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262006909 698450415 /nfs/dbraw/zinc/45/04/15/698450415.db2.gz VDPCEHRTSSOAMQ-ZJPYXAASSA-N 2 1 304.434 1.775 10 0 DDAEMP CNS(=O)(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C(C)C)o1 ZINC000088540599 185255816 /nfs/dbraw/zinc/25/58/16/185255816.db2.gz QTBWXDHNLXCSCK-UHFFFAOYSA-N 2 1 317.455 1.398 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N(C)CC2CC[NH+](C)CC2)n1 ZINC000092895174 353874015 /nfs/dbraw/zinc/87/40/15/353874015.db2.gz CHXIUNXRTIVGCV-UHFFFAOYSA-N 2 1 300.410 1.749 10 0 DDAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000237398397 202254280 /nfs/dbraw/zinc/25/42/80/202254280.db2.gz JTPAVKWAUVILBN-PBHICJAKSA-N 2 1 317.433 1.398 10 0 DDAEMP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720993 193097302 /nfs/dbraw/zinc/09/73/02/193097302.db2.gz VJCZFIHHKSVZGZ-BZPMIXESSA-N 2 1 312.845 1.376 10 0 DDAEMP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720993 193097304 /nfs/dbraw/zinc/09/73/04/193097304.db2.gz VJCZFIHHKSVZGZ-BZPMIXESSA-N 2 1 312.845 1.376 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@H]1CC[N@H+](CC)CCOC ZINC000093591214 193271832 /nfs/dbraw/zinc/27/18/32/193271832.db2.gz IAJLJYHCKFCSEM-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@@]1([NH2+]C)CCC[C@H]1CC[N@@H+](CC)CCOC ZINC000093591214 193271833 /nfs/dbraw/zinc/27/18/33/193271833.db2.gz IAJLJYHCKFCSEM-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[N@H+]1CCN(c2ncc(Br)cc2C[NH3+])C[C@@H]1C ZINC000110749692 194357248 /nfs/dbraw/zinc/35/72/48/194357248.db2.gz ZRKXAQKNXRRVLX-JTQLQIEISA-N 2 1 313.243 1.833 10 0 DDAEMP Cc1cc(C[N@@H+]2C[C@@H]3OC[C@@H](C[NH+]4CCCC4)[C@@H]3C2)n(C)n1 ZINC000248007141 257111364 /nfs/dbraw/zinc/11/13/64/257111364.db2.gz CJYMHFNECKSPEJ-PVAVHDDUSA-N 2 1 304.438 1.271 10 0 DDAEMP Cc1cc(C[N@H+]2C[C@@H]3OC[C@@H](C[NH+]4CCCC4)[C@@H]3C2)n(C)n1 ZINC000248007141 257111366 /nfs/dbraw/zinc/11/13/66/257111366.db2.gz CJYMHFNECKSPEJ-PVAVHDDUSA-N 2 1 304.438 1.271 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113583456 407516416 /nfs/dbraw/zinc/51/64/16/407516416.db2.gz MXRDMKKCKFJSLR-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261837560 407634829 /nfs/dbraw/zinc/63/48/29/407634829.db2.gz ABHSUSQLLQKYMZ-ZHCJQAHYSA-N 2 1 323.481 1.380 10 0 DDAEMP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261888028 407658028 /nfs/dbraw/zinc/65/80/28/407658028.db2.gz GCXKUSPRGNHYJE-BBWFWOEESA-N 2 1 304.434 1.984 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000173290732 407872580 /nfs/dbraw/zinc/87/25/80/407872580.db2.gz YSKZZZRJWLVOLT-HUUCEWRRSA-N 2 1 311.470 1.020 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000173290732 407872586 /nfs/dbraw/zinc/87/25/86/407872586.db2.gz YSKZZZRJWLVOLT-HUUCEWRRSA-N 2 1 311.470 1.020 10 0 DDAEMP CCC[N@@H+](CC)CCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000175761291 408198682 /nfs/dbraw/zinc/19/86/82/408198682.db2.gz SOZGXCGLAQSZKJ-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000175761291 408198683 /nfs/dbraw/zinc/19/86/83/408198683.db2.gz SOZGXCGLAQSZKJ-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000175761291 408198693 /nfs/dbraw/zinc/19/86/93/408198693.db2.gz SOZGXCGLAQSZKJ-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000175761291 408198700 /nfs/dbraw/zinc/19/87/00/408198700.db2.gz SOZGXCGLAQSZKJ-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000175761291 408198704 /nfs/dbraw/zinc/19/87/04/408198704.db2.gz SOZGXCGLAQSZKJ-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@@H](C)C1 ZINC000246517043 408280113 /nfs/dbraw/zinc/28/01/13/408280113.db2.gz UOQDLGQPPFPGPU-JYJNAYRXSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000246517043 408280118 /nfs/dbraw/zinc/28/01/18/408280118.db2.gz UOQDLGQPPFPGPU-JYJNAYRXSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000246517043 408280125 /nfs/dbraw/zinc/28/01/25/408280125.db2.gz UOQDLGQPPFPGPU-JYJNAYRXSA-N 2 1 310.486 1.842 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1CC ZINC000168079242 162178660 /nfs/dbraw/zinc/17/86/60/162178660.db2.gz KTXQGFSGZGEKFD-OWCLPIDISA-N 2 1 311.470 1.463 10 0 DDAEMP CCc1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000247254110 408438428 /nfs/dbraw/zinc/43/84/28/408438428.db2.gz UFFDHBVYZFQIIQ-QWHCGFSZSA-N 2 1 310.442 1.718 10 0 DDAEMP CCc1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000247254110 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QJALYBWNYNTFKE-SQWLQELKSA-N 2 1 308.470 1.737 10 0 DDAEMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000186724942 289366661 /nfs/dbraw/zinc/36/66/61/289366661.db2.gz YHLUCKOZEWJTFG-QGZVFWFLSA-N 2 1 303.450 1.712 10 0 DDAEMP C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973368 533892306 /nfs/dbraw/zinc/89/23/06/533892306.db2.gz BVQVXXDVTKRSHO-JQHSSLGASA-N 2 1 303.450 1.211 10 0 DDAEMP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973368 533892312 /nfs/dbraw/zinc/89/23/12/533892312.db2.gz BVQVXXDVTKRSHO-JQHSSLGASA-N 2 1 303.450 1.211 10 0 DDAEMP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886044640 708688096 /nfs/dbraw/zinc/68/80/96/708688096.db2.gz DYXWTVHHLIYQEF-QGZVFWFLSA-N 2 1 315.421 1.828 10 0 DDAEMP CCn1cc([C@H]2OCC[C@@H]2C[NH2+]CCn2cc[nH+]c2C)cn1 ZINC000888076655 709209190 /nfs/dbraw/zinc/20/91/90/709209190.db2.gz BWCCBAZEBDFCQT-ZBFHGGJFSA-N 2 1 303.410 1.775 10 0 DDAEMP C[NH2+]Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cs1 ZINC000092679264 185333417 /nfs/dbraw/zinc/33/34/17/185333417.db2.gz PUNIYBZTFKFWOX-NSHDSACASA-N 2 1 317.480 1.182 10 0 DDAEMP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480380 186166502 /nfs/dbraw/zinc/16/65/02/186166502.db2.gz JZFQNLURJZGMMN-SJORKVTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480380 186166505 /nfs/dbraw/zinc/16/65/05/186166505.db2.gz JZFQNLURJZGMMN-SJORKVTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480380 186166506 /nfs/dbraw/zinc/16/65/06/186166506.db2.gz JZFQNLURJZGMMN-SJORKVTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480380 186166508 /nfs/dbraw/zinc/16/65/08/186166508.db2.gz JZFQNLURJZGMMN-SJORKVTESA-N 2 1 301.434 1.986 10 0 DDAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000193376204 201040317 /nfs/dbraw/zinc/04/03/17/201040317.db2.gz UFQQIVKOMZPXNB-HZPDHXFCSA-N 2 1 307.438 1.993 10 0 DDAEMP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720995 193097000 /nfs/dbraw/zinc/09/70/00/193097000.db2.gz VJCZFIHHKSVZGZ-YRGRVCCFSA-N 2 1 312.845 1.376 10 0 DDAEMP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720995 193097002 /nfs/dbraw/zinc/09/70/02/193097002.db2.gz VJCZFIHHKSVZGZ-YRGRVCCFSA-N 2 1 312.845 1.376 10 0 DDAEMP CCc1ccccc1OCC[N@@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091915163 193126149 /nfs/dbraw/zinc/12/61/49/193126149.db2.gz FTEHBZRFVPQVJB-WMZOPIPTSA-N 2 1 304.434 1.674 10 0 DDAEMP CCc1ccccc1OCC[N@H+]1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000091915163 193126150 /nfs/dbraw/zinc/12/61/50/193126150.db2.gz FTEHBZRFVPQVJB-WMZOPIPTSA-N 2 1 304.434 1.674 10 0 DDAEMP C[NH2+][C@]1(C(N)=O)CCC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756650 193301664 /nfs/dbraw/zinc/30/16/64/193301664.db2.gz IAEVITNCBUEEFC-GMXVVIOVSA-N 2 1 307.360 1.647 10 0 DDAEMP C[NH2+][C@]1(C(N)=O)CCC[C@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093756650 193301667 /nfs/dbraw/zinc/30/16/67/193301667.db2.gz IAEVITNCBUEEFC-GMXVVIOVSA-N 2 1 307.360 1.647 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000105174439 194081931 /nfs/dbraw/zinc/08/19/31/194081931.db2.gz PGMXSACJUJADNQ-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000105174439 194081932 /nfs/dbraw/zinc/08/19/32/194081932.db2.gz PGMXSACJUJADNQ-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000105174439 194081933 /nfs/dbraw/zinc/08/19/33/194081933.db2.gz PGMXSACJUJADNQ-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP C[N@@H+](CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)C1CCCC1 ZINC000105293077 194093941 /nfs/dbraw/zinc/09/39/41/194093941.db2.gz PRJTXFISJOEIIQ-MRXNPFEDSA-N 2 1 308.470 1.741 10 0 DDAEMP C[NH+](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C1CCCC1 ZINC000105293077 194093942 /nfs/dbraw/zinc/09/39/42/194093942.db2.gz PRJTXFISJOEIIQ-MRXNPFEDSA-N 2 1 308.470 1.741 10 0 DDAEMP C[NH+](CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C1CCCC1 ZINC000105293077 194093945 /nfs/dbraw/zinc/09/39/45/194093945.db2.gz PRJTXFISJOEIIQ-MRXNPFEDSA-N 2 1 308.470 1.741 10 0 DDAEMP CCN[C@@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145822 194395853 /nfs/dbraw/zinc/39/58/53/194395853.db2.gz QUGNQKMSNLCCRA-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CN(Cc1cccc(Br)c1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990421 184199831 /nfs/dbraw/zinc/19/98/31/184199831.db2.gz KCXRVQBMVHYHRP-CQSZACIVSA-N 2 1 312.255 1.914 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4C3)C[C@@H]12 ZINC000261714785 407590044 /nfs/dbraw/zinc/59/00/44/407590044.db2.gz PNBDQXUFXSRPHR-MRVWCRGKSA-N 2 1 305.447 1.302 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4C3)C[C@@H]12 ZINC000261714785 407590048 /nfs/dbraw/zinc/59/00/48/407590048.db2.gz PNBDQXUFXSRPHR-MRVWCRGKSA-N 2 1 305.447 1.302 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113586145 407516501 /nfs/dbraw/zinc/51/65/01/407516501.db2.gz ZYWUQOQPSLPDCQ-XJKSGUPXSA-N 2 1 306.454 1.491 10 0 DDAEMP [NH3+]Cc1nc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)no1 ZINC000261815206 407625183 /nfs/dbraw/zinc/62/51/83/407625183.db2.gz XFVNALKQVNXJQS-GFCCVEGCSA-N 2 1 307.785 1.328 10 0 DDAEMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262006997 407708346 /nfs/dbraw/zinc/70/83/46/407708346.db2.gz VEOAXDZOZOZERZ-XHSDSOJGSA-N 2 1 304.438 1.394 10 0 DDAEMP CCn1c(C)nnc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171589359 407710565 /nfs/dbraw/zinc/71/05/65/407710565.db2.gz OGCPCHNNWIXMIY-CYBMUJFWSA-N 2 1 309.458 1.131 10 0 DDAEMP CCn1c(C)nnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171589359 407710570 /nfs/dbraw/zinc/71/05/70/407710570.db2.gz OGCPCHNNWIXMIY-CYBMUJFWSA-N 2 1 309.458 1.131 10 0 DDAEMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262043614 407723584 /nfs/dbraw/zinc/72/35/84/407723584.db2.gz YWIGFNRCTKLLLF-KURKYZTESA-N 3 1 309.498 1.855 10 0 DDAEMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262142468 407750634 /nfs/dbraw/zinc/75/06/34/407750634.db2.gz HHKPJWPKABKXQL-KFWWJZLASA-N 2 1 311.470 1.380 10 0 DDAEMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262142468 407750639 /nfs/dbraw/zinc/75/06/39/407750639.db2.gz HHKPJWPKABKXQL-KFWWJZLASA-N 2 1 311.470 1.380 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000246243967 408190548 /nfs/dbraw/zinc/19/05/48/408190548.db2.gz JBLUQWIYMOYUBB-ARFHVFGLSA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000246243967 408190555 /nfs/dbraw/zinc/19/05/55/408190555.db2.gz JBLUQWIYMOYUBB-ARFHVFGLSA-N 2 1 311.470 1.191 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246353061 408229311 /nfs/dbraw/zinc/22/93/11/408229311.db2.gz GGMHJRSWHMUOHT-KFWWJZLASA-N 2 1 310.486 1.887 10 0 DDAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246977157 408379591 /nfs/dbraw/zinc/37/95/91/408379591.db2.gz QXHNSKJUIAMLCO-ROUUACIJSA-N 2 1 317.477 1.960 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000247057045 408398107 /nfs/dbraw/zinc/39/81/07/408398107.db2.gz FQARZZRFLWBRHC-WMLDXEAASA-N 2 1 319.449 1.238 10 0 DDAEMP CCc1cc(=O)[nH]c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000176864393 408462931 /nfs/dbraw/zinc/46/29/31/408462931.db2.gz ZFTPUFHWIJHWGM-ZDUSSCGKSA-N 2 1 322.453 1.269 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309571644 418589884 /nfs/dbraw/zinc/58/98/84/418589884.db2.gz GPYHHOLXVJQWBS-BBWFWOEESA-N 2 1 301.434 1.752 10 0 DDAEMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261985661 279190634 /nfs/dbraw/zinc/19/06/34/279190634.db2.gz SAVIKOFVZMHZOJ-GVDBMIGSSA-N 2 1 306.454 1.326 10 0 DDAEMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262113348 484262890 /nfs/dbraw/zinc/26/28/90/484262890.db2.gz KRRURQJGSPPEKZ-DYVFJYSZSA-N 2 1 318.396 1.298 10 0 DDAEMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000092626654 185329892 /nfs/dbraw/zinc/32/98/92/185329892.db2.gz CHPGBUOPSADLDA-HNNXBMFYSA-N 2 1 311.451 1.001 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092632508 185330144 /nfs/dbraw/zinc/33/01/44/185330144.db2.gz CUCASYJEYIVZHM-LSDHHAIUSA-N 2 1 317.499 1.265 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596087 193270860 /nfs/dbraw/zinc/27/08/60/193270860.db2.gz ANCZVOKSAATGEQ-WCQYABFASA-N 2 1 309.376 1.894 10 0 DDAEMP CC[NH2+][C@]1(CO)CCC[C@@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093783169 193307409 /nfs/dbraw/zinc/30/74/09/193307409.db2.gz HYOMQLGUQQIIGD-HZPDHXFCSA-N 2 1 302.459 1.255 10 0 DDAEMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638886 193387587 /nfs/dbraw/zinc/38/75/87/193387587.db2.gz LFANHBJIPNMWQL-CABCVRRESA-N 2 1 302.484 1.664 10 0 DDAEMP CCOC(=O)[C@](C)(CC[N@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145997 194395545 /nfs/dbraw/zinc/39/55/45/194395545.db2.gz WMWIMDDWLJWGLS-INIZCTEOSA-N 2 1 301.475 1.580 10 0 DDAEMP CCOC(=O)[C@](C)(CC[N@@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145997 194395547 /nfs/dbraw/zinc/39/55/47/194395547.db2.gz WMWIMDDWLJWGLS-INIZCTEOSA-N 2 1 301.475 1.580 10 0 DDAEMP CCCN[C@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145830 194395905 /nfs/dbraw/zinc/39/59/05/194395905.db2.gz RIGKLQDHBYGHNU-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@H](c2cccs2)C2CC2)C1 ZINC000063178196 184276781 /nfs/dbraw/zinc/27/67/81/184276781.db2.gz CSETUJKPZPGIPW-ZFWWWQNUSA-N 2 1 307.463 1.986 10 0 DDAEMP C[NH+](C)C[C@@H]1OC[C@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000248034719 257110396 /nfs/dbraw/zinc/11/03/96/257110396.db2.gz ULMDRVFBUQNFHV-RKVPGOIHSA-N 2 1 318.417 1.814 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113579201 407515520 /nfs/dbraw/zinc/51/55/20/407515520.db2.gz UDMAVDQDCZVINH-GOEBONIOSA-N 2 1 308.470 1.737 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000170833429 407524963 /nfs/dbraw/zinc/52/49/63/407524963.db2.gz HAUMXVDRUBXHLP-CQSZACIVSA-N 2 1 322.478 1.452 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000170833429 407524968 /nfs/dbraw/zinc/52/49/68/407524968.db2.gz HAUMXVDRUBXHLP-CQSZACIVSA-N 2 1 322.478 1.452 10 0 DDAEMP COc1cc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)ccc1F ZINC000261797891 407618441 /nfs/dbraw/zinc/61/84/41/407618441.db2.gz OYGHMAYTYCZZAL-CQSZACIVSA-N 2 1 307.413 1.956 10 0 DDAEMP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261867192 407647279 /nfs/dbraw/zinc/64/72/79/407647279.db2.gz CRYINBSHNUUMQC-INMHGKMJSA-N 2 1 314.433 1.783 10 0 DDAEMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261967239 407695064 /nfs/dbraw/zinc/69/50/64/407695064.db2.gz QDNGMJZWEKLMIE-GVDBMIGSSA-N 2 1 317.433 1.075 10 0 DDAEMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1=O ZINC000262027741 407717011 /nfs/dbraw/zinc/71/70/11/407717011.db2.gz XFWHUTMZJRBYKO-TUVASFSCSA-N 2 1 309.454 1.133 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000132535467 407792583 /nfs/dbraw/zinc/79/25/83/407792583.db2.gz NGSVKPKYOROZMK-WCVJEAGWSA-N 2 1 310.486 1.887 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]12 ZINC000262584407 407874493 /nfs/dbraw/zinc/87/44/93/407874493.db2.gz ZMLUWQPYDGDBPH-DDTOSNHZSA-N 2 1 318.808 1.517 10 0 DDAEMP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000245416302 407969499 /nfs/dbraw/zinc/96/94/99/407969499.db2.gz FAYNUZNFBLZYTD-HRCADAONSA-N 2 1 311.470 1.164 10 0 DDAEMP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000245416302 407969503 /nfs/dbraw/zinc/96/95/03/407969503.db2.gz FAYNUZNFBLZYTD-HRCADAONSA-N 2 1 311.470 1.164 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000263192653 408054244 /nfs/dbraw/zinc/05/42/44/408054244.db2.gz ICLCVFDAQXGOJC-GXSJLCMTSA-N 2 1 306.740 1.611 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000246465540 408262784 /nfs/dbraw/zinc/26/27/84/408262784.db2.gz PXWIMTQLIUTLQW-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000176018583 408265880 /nfs/dbraw/zinc/26/58/80/408265880.db2.gz GAGOVEPMHITATF-QGZVFWFLSA-N 2 1 320.481 1.883 10 0 DDAEMP CCc1cc(=O)[nH]c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000176864373 408460308 /nfs/dbraw/zinc/46/03/08/408460308.db2.gz ZFTPUFHWIJHWGM-CYBMUJFWSA-N 2 1 322.453 1.269 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000247482770 408478647 /nfs/dbraw/zinc/47/86/47/408478647.db2.gz WGPPXKBVQWRWQB-JKSUJKDBSA-N 2 1 311.470 1.334 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000247482770 408478653 /nfs/dbraw/zinc/47/86/53/408478653.db2.gz WGPPXKBVQWRWQB-JKSUJKDBSA-N 2 1 311.470 1.334 10 0 DDAEMP Cn1nccc1[C@H]1[C@H](CNC2=[NH+]CCCN2)CCC[N@H+]1C1CC1 ZINC000262158264 163778454 /nfs/dbraw/zinc/77/84/54/163778454.db2.gz SESNBIOQDINILC-XJKSGUPXSA-N 2 1 316.453 1.275 10 0 DDAEMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000175045594 287219386 /nfs/dbraw/zinc/21/93/86/287219386.db2.gz QENUSUHFIIXZSN-IAGOWNOFSA-N 2 1 323.481 1.574 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000175045594 287219387 /nfs/dbraw/zinc/21/93/87/287219387.db2.gz QENUSUHFIIXZSN-IAGOWNOFSA-N 2 1 323.481 1.574 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000262070894 484261494 /nfs/dbraw/zinc/26/14/94/484261494.db2.gz CDHMANULTMWERO-MAUKXSAKSA-N 2 1 313.401 1.331 10 0 DDAEMP Cn1ccnc1C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811357 698438777 /nfs/dbraw/zinc/43/87/77/698438777.db2.gz HRUWVWIIDUEQBT-HZPDHXFCSA-N 2 1 318.465 1.791 10 0 DDAEMP CCc1nn(C)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180094348 539235202 /nfs/dbraw/zinc/23/52/02/539235202.db2.gz RIMUTIOWNMJNLU-AWEZNQCLSA-N 2 1 308.470 1.507 10 0 DDAEMP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261864813 282387346 /nfs/dbraw/zinc/38/73/46/282387346.db2.gz WUIVPIIFWXDQAK-SJORKVTESA-N 2 1 301.434 1.529 10 0 DDAEMP CN(CC1CC1)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261864813 282387352 /nfs/dbraw/zinc/38/73/52/282387352.db2.gz WUIVPIIFWXDQAK-SJORKVTESA-N 2 1 301.434 1.529 10 0 DDAEMP [NH3+][C@@H]1CCC[C@@H](C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525689 192282717 /nfs/dbraw/zinc/28/27/17/192282717.db2.gz RUDCTGVBDKBJIS-NXEZZACHSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@@H]1CCC[C@@H](C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525689 192282719 /nfs/dbraw/zinc/28/27/19/192282719.db2.gz RUDCTGVBDKBJIS-NXEZZACHSA-N 2 1 303.332 1.630 10 0 DDAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](CC)CCOCC)C(N)=O ZINC000111122201 194393007 /nfs/dbraw/zinc/39/30/07/194393007.db2.gz JYVDOXWLOTWUMT-MRXNPFEDSA-N 2 1 301.475 1.759 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000246538481 285266485 /nfs/dbraw/zinc/26/64/85/285266485.db2.gz APQUQLBTFXHBSW-JYJNAYRXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000246538481 285266486 /nfs/dbraw/zinc/26/64/86/285266486.db2.gz APQUQLBTFXHBSW-JYJNAYRXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000246538481 285266488 /nfs/dbraw/zinc/26/64/88/285266488.db2.gz APQUQLBTFXHBSW-JYJNAYRXSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638300086 422812475 /nfs/dbraw/zinc/81/24/75/422812475.db2.gz DWANXQPWLITJHA-RHSMWYFYSA-N 2 1 305.422 1.002 10 0 DDAEMP C[C@H]1CCN(Cc2noc(C[NH3+])n2)CC[N@@H+]1Cc1ccccc1 ZINC000261655569 407568885 /nfs/dbraw/zinc/56/88/85/407568885.db2.gz GQOPFAGCLZYOTN-AWEZNQCLSA-N 2 1 315.421 1.625 10 0 DDAEMP C[C@H]1CCN(Cc2noc(C[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC000261655569 407568890 /nfs/dbraw/zinc/56/88/90/407568890.db2.gz GQOPFAGCLZYOTN-AWEZNQCLSA-N 2 1 315.421 1.625 10 0 DDAEMP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261918381 407672544 /nfs/dbraw/zinc/67/25/44/407672544.db2.gz JZEQIYMIDVWMKX-XHSDSOJGSA-N 2 1 303.406 1.032 10 0 DDAEMP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261974351 407698268 /nfs/dbraw/zinc/69/82/68/407698268.db2.gz QXSHKKSGHMXVFI-BMFZPTHFSA-N 2 1 308.397 1.951 10 0 DDAEMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc2c1OCO2 ZINC000262041183 407719798 /nfs/dbraw/zinc/71/97/98/407719798.db2.gz YOSVHIGVQLVDMA-RRFJBIMHSA-N 2 1 304.390 1.662 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262251324 407774779 /nfs/dbraw/zinc/77/47/79/407774779.db2.gz QCWYPXBZOVOBDC-HNNXBMFYSA-N 2 1 315.421 1.625 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262251324 407774783 /nfs/dbraw/zinc/77/47/83/407774783.db2.gz QCWYPXBZOVOBDC-HNNXBMFYSA-N 2 1 315.421 1.625 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000263161363 408043079 /nfs/dbraw/zinc/04/30/79/408043079.db2.gz DVHPLXZTDGZGQS-YPMHNXCESA-N 2 1 304.312 1.298 10 0 DDAEMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263285460 408089587 /nfs/dbraw/zinc/08/95/87/408089587.db2.gz UYLJNJTWZVFYQR-ZYHUDNBSSA-N 2 1 315.211 1.128 10 0 DDAEMP Cc1ccc(CN2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)o1 ZINC000121035463 408152565 /nfs/dbraw/zinc/15/25/65/408152565.db2.gz HNDVDUHVZIOESM-SFHVURJKSA-N 2 1 321.465 1.815 10 0 DDAEMP Cc1ccc(CN2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)o1 ZINC000121035463 408152573 /nfs/dbraw/zinc/15/25/73/408152573.db2.gz HNDVDUHVZIOESM-SFHVURJKSA-N 2 1 321.465 1.815 10 0 DDAEMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ncn1 ZINC000246441286 408256483 /nfs/dbraw/zinc/25/64/83/408256483.db2.gz ONIXSRLPSFWEIY-QLFBSQMISA-N 2 1 318.469 1.559 10 0 DDAEMP CC[NH+](CC)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190668170 408298983 /nfs/dbraw/zinc/29/89/83/408298983.db2.gz QUWMSSXGVJDDJG-QGZVFWFLSA-N 2 1 318.465 1.704 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176213594 408313237 /nfs/dbraw/zinc/31/32/37/408313237.db2.gz IJPZQEJVAFGDBY-IRXDYDNUSA-N 2 1 319.424 1.953 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176213594 408313244 /nfs/dbraw/zinc/31/32/44/408313244.db2.gz IJPZQEJVAFGDBY-IRXDYDNUSA-N 2 1 319.424 1.953 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000194135694 408765855 /nfs/dbraw/zinc/76/58/55/408765855.db2.gz CGARYMXAQXISII-INIZCTEOSA-N 2 1 310.486 1.892 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270682 163941085 /nfs/dbraw/zinc/94/10/85/163941085.db2.gz SDOLIRQLIJMZRY-PBHICJAKSA-N 2 1 323.868 1.474 10 0 DDAEMP 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322.478 1.718 10 0 DDAEMP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCOCC1 ZINC000261908877 286657824 /nfs/dbraw/zinc/65/78/24/286657824.db2.gz IQZGXZKPDLLVJN-RRFJBIMHSA-N 2 1 314.495 1.645 10 0 DDAEMP C[N@@H+](CC1CC[NH2+]CC1)C1CCN(CCn2cccn2)CC1 ZINC000178983060 407682165 /nfs/dbraw/zinc/68/21/65/407682165.db2.gz ULGMYSBTGQHNJP-UHFFFAOYSA-N 2 1 305.470 1.279 10 0 DDAEMP C[N@H+](CCCO)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000115547823 407688404 /nfs/dbraw/zinc/68/84/04/407688404.db2.gz RPARKCFAOJUYOT-SFHVURJKSA-N 2 1 306.450 1.673 10 0 DDAEMP C[N@@H+](CCCO)C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000115547823 407688405 /nfs/dbraw/zinc/68/84/05/407688405.db2.gz RPARKCFAOJUYOT-SFHVURJKSA-N 2 1 306.450 1.673 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000263192586 408053106 /nfs/dbraw/zinc/05/31/06/408053106.db2.gz IBMVEIXCNHTGLB-CABZTGNLSA-N 2 1 319.630 1.772 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000176174212 408301167 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DDAEMP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178311720 408803697 /nfs/dbraw/zinc/80/36/97/408803697.db2.gz RETQHJNHAWPMOB-MRXNPFEDSA-N 2 1 322.453 1.589 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262314719 287272478 /nfs/dbraw/zinc/27/24/78/287272478.db2.gz QSQGPAUXYGLPTF-NCOADZHNSA-N 2 1 323.481 1.476 10 0 DDAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262314719 287272481 /nfs/dbraw/zinc/27/24/81/287272481.db2.gz QSQGPAUXYGLPTF-NCOADZHNSA-N 2 1 323.481 1.476 10 0 DDAEMP C[C@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283251 424773392 /nfs/dbraw/zinc/77/33/92/424773392.db2.gz JZFBWQQSJRZNFU-WDSOQIARSA-N 2 1 316.493 1.390 10 0 DDAEMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283251 424773395 /nfs/dbraw/zinc/77/33/95/424773395.db2.gz JZFBWQQSJRZNFU-WDSOQIARSA-N 2 1 316.493 1.390 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396369651 483993910 /nfs/dbraw/zinc/99/39/10/483993910.db2.gz MTXDVLAELAZIJT-OIISXLGYSA-N 2 1 301.434 1.847 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396369651 483993919 /nfs/dbraw/zinc/99/39/19/483993919.db2.gz MTXDVLAELAZIJT-OIISXLGYSA-N 2 1 301.434 1.847 10 0 DDAEMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1)C(C)C ZINC000262202570 484264857 /nfs/dbraw/zinc/26/48/57/484264857.db2.gz IFZRMKRXOXUVJT-SJORKVTESA-N 2 1 319.449 1.227 10 0 DDAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OCC(C)C ZINC000262198041 484264980 /nfs/dbraw/zinc/26/49/80/484264980.db2.gz ZRIOYNBXVZXYQX-CABCVRRESA-N 2 1 308.422 1.400 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000333457630 484431415 /nfs/dbraw/zinc/43/14/15/484431415.db2.gz YMJWKUYWQOAKEV-OAGGEKHMSA-N 2 1 310.486 1.876 10 0 DDAEMP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[NH2+]C)cc2F)CC1 ZINC000261731960 698434930 /nfs/dbraw/zinc/43/49/30/698434930.db2.gz LRFDXTNJTZBNNA-CYBMUJFWSA-N 2 1 322.428 1.305 10 0 DDAEMP COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262039660 698451662 /nfs/dbraw/zinc/45/16/62/698451662.db2.gz YIEKYDXRUDQSKJ-KSZLIROESA-N 2 1 320.433 1.821 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713223830 699265200 /nfs/dbraw/zinc/26/52/00/699265200.db2.gz BMEBCGZWRSIBBE-KBEGMRNHSA-N 2 1 301.434 1.751 10 0 DDAEMP C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000092633780 185330444 /nfs/dbraw/zinc/33/04/44/185330444.db2.gz NDQRZPGNYVMYDY-JSGCOSHPSA-N 2 1 311.451 1.421 10 0 DDAEMP CC(C)[NH+]1CCC(N2CC[N@@H+](CC3CC3)C[C@@H]2CCO)CC1 ZINC000071751382 191021972 /nfs/dbraw/zinc/02/19/72/191021972.db2.gz WWUXWURBKNMYNE-SFHVURJKSA-N 2 1 309.498 1.638 10 0 DDAEMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000262365213 291046456 /nfs/dbraw/zinc/04/64/56/291046456.db2.gz KZSWSTQERCPLTM-QSPRXWTASA-N 2 1 301.434 1.936 10 0 DDAEMP CCC[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592056 193271260 /nfs/dbraw/zinc/27/12/60/193271260.db2.gz MQSNTNMJHMLFKJ-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CCC[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)CCOC ZINC000093592056 193271262 /nfs/dbraw/zinc/27/12/62/193271262.db2.gz MQSNTNMJHMLFKJ-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000040784443 183134039 /nfs/dbraw/zinc/13/40/39/183134039.db2.gz BVDYKQKJEZWFFD-LSVZVQIISA-N 2 1 314.495 1.520 10 0 DDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000040784443 183134040 /nfs/dbraw/zinc/13/40/40/183134040.db2.gz BVDYKQKJEZWFFD-LSVZVQIISA-N 2 1 314.495 1.520 10 0 DDAEMP C[N@H+](CCCCCNC(=O)c1cnccn1)C1CC[NH+](C)CC1 ZINC000041565798 183203981 /nfs/dbraw/zinc/20/39/81/183203981.db2.gz ZVQBCXGXGKUAKU-UHFFFAOYSA-N 2 1 319.453 1.403 10 0 DDAEMP C[N@@H+](CCCCCNC(=O)c1cnccn1)C1CC[NH+](C)CC1 ZINC000041565798 183203984 /nfs/dbraw/zinc/20/39/84/183203984.db2.gz ZVQBCXGXGKUAKU-UHFFFAOYSA-N 2 1 319.453 1.403 10 0 DDAEMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000110648832 194345334 /nfs/dbraw/zinc/34/53/34/194345334.db2.gz CMMZBAWWCQEMRS-NSHDSACASA-N 2 1 310.467 1.333 10 0 DDAEMP C[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169500 194398175 /nfs/dbraw/zinc/39/81/75/194398175.db2.gz ASCMUYHTEMIDMH-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP C[NH2+][C@@](C)(CCCC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169500 194398177 /nfs/dbraw/zinc/39/81/77/194398177.db2.gz ASCMUYHTEMIDMH-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP Cc1cc(C[N@@H+]2C[C@@H]3OC[C@H](C[NH+]4CCCCC4)[C@@H]3C2)n(C)n1 ZINC000248064823 257111169 /nfs/dbraw/zinc/11/11/69/257111169.db2.gz VTCIBNUKHOFSCA-SZMVWBNQSA-N 2 1 318.465 1.661 10 0 DDAEMP Cc1cc(C[N@H+]2C[C@@H]3OC[C@H](C[NH+]4CCCCC4)[C@@H]3C2)n(C)n1 ZINC000248064823 257111170 /nfs/dbraw/zinc/11/11/70/257111170.db2.gz VTCIBNUKHOFSCA-SZMVWBNQSA-N 2 1 318.465 1.661 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000123366038 407326866 /nfs/dbraw/zinc/32/68/66/407326866.db2.gz DJBPNNYKRIPGDN-HOTGVXAUSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000123366038 407326867 /nfs/dbraw/zinc/32/68/67/407326867.db2.gz DJBPNNYKRIPGDN-HOTGVXAUSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000123366038 407326870 /nfs/dbraw/zinc/32/68/70/407326870.db2.gz DJBPNNYKRIPGDN-HOTGVXAUSA-N 2 1 310.486 1.748 10 0 DDAEMP Cc1csc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc(=O)n12 ZINC000261700338 407584004 /nfs/dbraw/zinc/58/40/04/407584004.db2.gz ODUGWSNXBBFCTD-WCFLWFBJSA-N 2 1 304.419 1.234 10 0 DDAEMP Cc1csc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc(=O)n12 ZINC000261700338 407584015 /nfs/dbraw/zinc/58/40/15/407584015.db2.gz ODUGWSNXBBFCTD-WCFLWFBJSA-N 2 1 304.419 1.234 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000113617259 407519447 /nfs/dbraw/zinc/51/94/47/407519447.db2.gz GETJKKVGOKMCME-GOEBONIOSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000113617259 407519454 /nfs/dbraw/zinc/51/94/54/407519454.db2.gz GETJKKVGOKMCME-GOEBONIOSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000113617259 407519462 /nfs/dbraw/zinc/51/94/62/407519462.db2.gz GETJKKVGOKMCME-GOEBONIOSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000170854902 407529924 /nfs/dbraw/zinc/52/99/24/407529924.db2.gz XVPDLMVTBGNMMS-WCVJEAGWSA-N 2 1 311.470 1.283 10 0 DDAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000261861031 407643394 /nfs/dbraw/zinc/64/33/94/407643394.db2.gz CCFXFXRBXUYYNM-XHSDSOJGSA-N 2 1 320.433 1.951 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261910033 407666981 /nfs/dbraw/zinc/66/69/81/407666981.db2.gz IVJXJCIOLRFJGR-GVDBMIGSSA-N 2 1 314.433 1.624 10 0 DDAEMP CCCn1cc(CN2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023681 407714908 /nfs/dbraw/zinc/71/49/08/407714908.db2.gz NJQCSDLEKHITIR-GOSISDBHSA-N 2 1 319.497 1.800 10 0 DDAEMP CCCn1cc(C[N@@H+]2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023681 407714909 /nfs/dbraw/zinc/71/49/09/407714909.db2.gz NJQCSDLEKHITIR-GOSISDBHSA-N 2 1 319.497 1.800 10 0 DDAEMP CCCn1cc(C[N@H+]2CCCN(C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023681 407714912 /nfs/dbraw/zinc/71/49/12/407714912.db2.gz NJQCSDLEKHITIR-GOSISDBHSA-N 2 1 319.497 1.800 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048444 407723459 /nfs/dbraw/zinc/72/34/59/407723459.db2.gz ZIWQYBNBJRHJGG-OTWHNJEPSA-N 2 1 317.477 1.865 10 0 DDAEMP C[N@@H+](CCCNC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000262088693 407734741 /nfs/dbraw/zinc/73/47/41/407734741.db2.gz HTIVSUNLVSYAGN-UHFFFAOYSA-N 2 1 311.470 1.513 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000174114577 407916198 /nfs/dbraw/zinc/91/61/98/407916198.db2.gz CZGCHIMLUDHCJG-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)sc1Br ZINC000263311345 408102019 /nfs/dbraw/zinc/10/20/19/408102019.db2.gz YSGCFIVAPDCWRP-WCBMZHEXSA-N 2 1 305.241 1.489 10 0 DDAEMP O=C(C[N@H+]1CC[C@@H](CNc2ccccn2)C1)NC[C@@H]1CCCO1 ZINC000151106587 408255822 /nfs/dbraw/zinc/25/58/22/408255822.db2.gz ODBIGLJCOKEDEJ-GJZGRUSLSA-N 2 1 318.421 1.111 10 0 DDAEMP O=C(CN1CC[C@@H](CNc2ccccn2)C1)NC[C@@H]1CCCO1 ZINC000151106587 408255828 /nfs/dbraw/zinc/25/58/28/408255828.db2.gz ODBIGLJCOKEDEJ-GJZGRUSLSA-N 2 1 318.421 1.111 10 0 DDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246461034 408264481 /nfs/dbraw/zinc/26/44/81/408264481.db2.gz PJAFOSFHWWPQFE-IIAWOOMASA-N 2 1 321.469 1.856 10 0 DDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246461034 408264484 /nfs/dbraw/zinc/26/44/84/408264484.db2.gz PJAFOSFHWWPQFE-IIAWOOMASA-N 2 1 321.469 1.856 10 0 DDAEMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000173653856 162353708 /nfs/dbraw/zinc/35/37/08/162353708.db2.gz IBXWMBNKLJTONF-GDBMZVCRSA-N 2 1 319.453 1.110 10 0 DDAEMP CN(C)[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317940 163314868 /nfs/dbraw/zinc/31/48/68/163314868.db2.gz KOQVSGPBWDHGQF-SJORKVTESA-N 2 1 301.434 1.986 10 0 DDAEMP CN(C)[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317940 163314870 /nfs/dbraw/zinc/31/48/70/163314870.db2.gz KOQVSGPBWDHGQF-SJORKVTESA-N 2 1 301.434 1.986 10 0 DDAEMP COC[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278914 423715857 /nfs/dbraw/zinc/71/58/57/423715857.db2.gz NBOPPILJQWSHQC-FUHWJXTLSA-N 2 1 317.433 1.146 10 0 DDAEMP C[C@@]1(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261677427 279159348 /nfs/dbraw/zinc/15/93/48/279159348.db2.gz ABOWKCRAQKURHW-QZTJIDSGSA-N 2 1 303.450 1.337 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246307731 279294659 /nfs/dbraw/zinc/29/46/59/279294659.db2.gz NMZMRNGFSKICCD-WZYMTQMTSA-N 2 1 308.470 1.785 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000246307731 279294660 /nfs/dbraw/zinc/29/46/60/279294660.db2.gz NMZMRNGFSKICCD-WZYMTQMTSA-N 2 1 308.470 1.785 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000246307731 279294661 /nfs/dbraw/zinc/29/46/61/279294661.db2.gz NMZMRNGFSKICCD-WZYMTQMTSA-N 2 1 308.470 1.785 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246988012 282027062 /nfs/dbraw/zinc/02/70/62/282027062.db2.gz QJALYBWNYNTFKE-IIAWOOMASA-N 2 1 308.470 1.737 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246988012 282027067 /nfs/dbraw/zinc/02/70/67/282027067.db2.gz QJALYBWNYNTFKE-IIAWOOMASA-N 2 1 308.470 1.737 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246988012 282027069 /nfs/dbraw/zinc/02/70/69/282027069.db2.gz QJALYBWNYNTFKE-IIAWOOMASA-N 2 1 308.470 1.737 10 0 DDAEMP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261828951 298130790 /nfs/dbraw/zinc/13/07/90/298130790.db2.gz SSTKYRRQPZINCN-BMFZPTHFSA-N 2 1 303.450 1.964 10 0 DDAEMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261828951 298130792 /nfs/dbraw/zinc/13/07/92/298130792.db2.gz SSTKYRRQPZINCN-BMFZPTHFSA-N 2 1 303.450 1.964 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396374743 483994973 /nfs/dbraw/zinc/99/49/73/483994973.db2.gz OHWPEOMRZSJOPS-BFYDXBDKSA-N 2 1 301.434 1.575 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396374743 483994981 /nfs/dbraw/zinc/99/49/81/483994981.db2.gz OHWPEOMRZSJOPS-BFYDXBDKSA-N 2 1 301.434 1.575 10 0 DDAEMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261944380 698446769 /nfs/dbraw/zinc/44/67/69/698446769.db2.gz NKMGOWYMKDCKLS-ZACQAIPSSA-N 2 1 317.433 1.293 10 0 DDAEMP C1CC1[NH+]1CCC(c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)CC1 ZINC000329685947 698754582 /nfs/dbraw/zinc/75/45/82/698754582.db2.gz AEMQBDRXJQEUTH-HUUCEWRRSA-N 2 1 318.421 1.947 10 0 DDAEMP C1CC1[NH+]1CCC(c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)CC1 ZINC000329685947 698754586 /nfs/dbraw/zinc/75/45/86/698754586.db2.gz AEMQBDRXJQEUTH-HUUCEWRRSA-N 2 1 318.421 1.947 10 0 DDAEMP CN(CCC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000088420069 185249587 /nfs/dbraw/zinc/24/95/87/185249587.db2.gz FXMTYRMUPVLYAZ-LBPRGKRZSA-N 2 1 307.360 1.614 10 0 DDAEMP CN(CCC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000088420069 185249588 /nfs/dbraw/zinc/24/95/88/185249588.db2.gz FXMTYRMUPVLYAZ-LBPRGKRZSA-N 2 1 307.360 1.614 10 0 DDAEMP CC[NH2+][C@@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435567 185250368 /nfs/dbraw/zinc/25/03/68/185250368.db2.gz PKZUVJKYJHJSLZ-GWCFXTLKSA-N 2 1 309.376 1.893 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088543065 185256002 /nfs/dbraw/zinc/25/60/02/185256002.db2.gz WQKCZFVTMYGUBQ-UHFFFAOYSA-N 2 1 303.428 1.137 10 0 DDAEMP CSC1(C[NH3+])CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000091474115 193061294 /nfs/dbraw/zinc/06/12/94/193061294.db2.gz XRNOHUBTHMGRHR-UHFFFAOYSA-N 2 1 311.426 1.921 10 0 DDAEMP C([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000094374860 193366712 /nfs/dbraw/zinc/36/67/12/193366712.db2.gz COBIJGFMFCJRGI-KLHDSHLOSA-N 2 1 312.479 1.494 10 0 DDAEMP C([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000094374860 193366714 /nfs/dbraw/zinc/36/67/14/193366714.db2.gz COBIJGFMFCJRGI-KLHDSHLOSA-N 2 1 312.479 1.494 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C(N)=O)c2ccccc2)CC1 ZINC000105862444 194149753 /nfs/dbraw/zinc/14/97/53/194149753.db2.gz FQARZZRFLWBRHC-PBHICJAKSA-N 2 1 319.449 1.238 10 0 DDAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111884083 407419443 /nfs/dbraw/zinc/41/94/43/407419443.db2.gz KNDKPGUABNETNQ-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000111884083 407419445 /nfs/dbraw/zinc/41/94/45/407419445.db2.gz KNDKPGUABNETNQ-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000111884083 407419446 /nfs/dbraw/zinc/41/94/46/407419446.db2.gz KNDKPGUABNETNQ-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC000178753414 407584139 /nfs/dbraw/zinc/58/41/39/407584139.db2.gz NUFJOJXBIQCEPB-INIZCTEOSA-N 2 1 316.449 1.961 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(C1CC1)C1CC1 ZINC000178753414 407584145 /nfs/dbraw/zinc/58/41/45/407584145.db2.gz NUFJOJXBIQCEPB-INIZCTEOSA-N 2 1 316.449 1.961 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC3CC[NH2+]CC3)CCCN2C)cn1 ZINC000261744004 407597586 /nfs/dbraw/zinc/59/75/86/407597586.db2.gz BRKFCAINNLKPBE-FUHWJXTLSA-N 2 1 319.497 1.734 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CC2)CC1 ZINC000152395031 407628451 /nfs/dbraw/zinc/62/84/51/407628451.db2.gz JAMLWPGSKIWDIP-MRXNPFEDSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000152395031 407628457 /nfs/dbraw/zinc/62/84/57/407628457.db2.gz JAMLWPGSKIWDIP-MRXNPFEDSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000152395031 407628461 /nfs/dbraw/zinc/62/84/61/407628461.db2.gz JAMLWPGSKIWDIP-MRXNPFEDSA-N 2 1 308.470 1.596 10 0 DDAEMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261890288 407657133 /nfs/dbraw/zinc/65/71/33/407657133.db2.gz GKODMTUGBXNOTQ-BBWFWOEESA-N 2 1 317.433 1.293 10 0 DDAEMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262043612 407722816 /nfs/dbraw/zinc/72/28/16/407722816.db2.gz YWIGFNRCTKLLLF-KSZLIROESA-N 3 1 309.498 1.855 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000262054046 407726534 /nfs/dbraw/zinc/72/65/34/407726534.db2.gz ZZPOWNSZCUESTC-XDNAFOTISA-N 2 1 309.498 1.854 10 0 DDAEMP CC(C)c1[nH+]ccn1CCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263283207 408090075 /nfs/dbraw/zinc/09/00/75/408090075.db2.gz UPCKLDZBVOGLOV-GFCCVEGCSA-N 2 1 304.398 1.208 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246402493 408244976 /nfs/dbraw/zinc/24/49/76/408244976.db2.gz JYBOHUKVDKKNLP-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246402493 408244981 /nfs/dbraw/zinc/24/49/81/408244981.db2.gz JYBOHUKVDKKNLP-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246402493 408244985 /nfs/dbraw/zinc/24/49/85/408244985.db2.gz JYBOHUKVDKKNLP-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)[nH+]c1 ZINC000170855647 162195194 /nfs/dbraw/zinc/19/51/94/162195194.db2.gz FSSYSPJHHBOPBU-MRXNPFEDSA-N 2 1 316.449 1.769 10 0 DDAEMP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247015985 408387276 /nfs/dbraw/zinc/38/72/76/408387276.db2.gz LPALRPGNVSTYDD-HOTGVXAUSA-N 2 1 319.453 1.850 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247015985 408387283 /nfs/dbraw/zinc/38/72/83/408387283.db2.gz LPALRPGNVSTYDD-HOTGVXAUSA-N 2 1 319.453 1.850 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000247440292 408470363 /nfs/dbraw/zinc/47/03/63/408470363.db2.gz RYFUEWKUAXYIKV-NYTXWWLZSA-N 2 1 308.470 1.640 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000247440292 408470369 /nfs/dbraw/zinc/47/03/69/408470369.db2.gz RYFUEWKUAXYIKV-NYTXWWLZSA-N 2 1 308.470 1.640 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000247440292 408470373 /nfs/dbraw/zinc/47/03/73/408470373.db2.gz RYFUEWKUAXYIKV-NYTXWWLZSA-N 2 1 308.470 1.640 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2ccnc2c1 ZINC000177787940 408712601 /nfs/dbraw/zinc/71/26/01/408712601.db2.gz ZKNZIFKBRARGEU-DZGCQCFKSA-N 2 1 313.405 1.712 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378904287 418726211 /nfs/dbraw/zinc/72/62/11/418726211.db2.gz JLBCMDKUCIPIOB-HYVNUMGLSA-N 2 1 301.434 1.480 10 0 DDAEMP C[C@@H](O)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637911004 422468517 /nfs/dbraw/zinc/46/85/17/422468517.db2.gz RXRGSIXMYGZMOE-OAHLLOKOSA-N 2 1 319.449 1.257 10 0 DDAEMP C[C@]1(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261677430 280154728 /nfs/dbraw/zinc/15/47/28/280154728.db2.gz ABOWKCRAQKURHW-ROUUACIJSA-N 2 1 303.450 1.337 10 0 DDAEMP [NH3+][C@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)C1CCC1 ZINC000333251712 295327600 /nfs/dbraw/zinc/32/76/00/295327600.db2.gz GYKCMMKDVWMRII-CABCVRRESA-N 2 1 307.825 1.940 10 0 DDAEMP C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400332067 302368964 /nfs/dbraw/zinc/36/89/64/302368964.db2.gz FCXBFXGFOWGKEY-IEBWSBKVSA-N 2 1 316.493 1.392 10 0 DDAEMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400425339 302369369 /nfs/dbraw/zinc/36/93/69/302369369.db2.gz YGAKJFJXZWXNGM-HIFRSBDPSA-N 2 1 303.406 1.595 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc(Cl)c1OC ZINC000262143641 484264149 /nfs/dbraw/zinc/26/41/49/484264149.db2.gz PYZXEBPLCFZZGT-YPMHNXCESA-N 2 1 314.813 1.417 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000309716518 484379357 /nfs/dbraw/zinc/37/93/57/484379357.db2.gz KYOGCHKQVFMYPS-PVAVHDDUSA-N 2 1 303.450 1.998 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC ZINC000262357675 698465932 /nfs/dbraw/zinc/46/59/32/698465932.db2.gz IDTYWGCXXHRXMF-HRCADAONSA-N 2 1 311.470 1.334 10 0 DDAEMP COc1ccc(C[NH+]2CCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095498877 185374748 /nfs/dbraw/zinc/37/47/48/185374748.db2.gz LMYRDNFFCMVWDL-MRXNPFEDSA-N 2 1 320.433 1.736 10 0 DDAEMP COCC[N@@H+](C)CCNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079293753 185163714 /nfs/dbraw/zinc/16/37/14/185163714.db2.gz VXPZNDHDKUMAGW-CQSZACIVSA-N 2 1 301.475 1.472 10 0 DDAEMP C[NH2+][C@H]1COC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000087575908 185228802 /nfs/dbraw/zinc/22/88/02/185228802.db2.gz PQHJDNXWGLIHDK-WPRPVWTQSA-N 2 1 305.241 1.835 10 0 DDAEMP OCCN1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000384744768 354630430 /nfs/dbraw/zinc/63/04/30/354630430.db2.gz RGXVISYPRLFDSS-IBGZPJMESA-N 2 1 317.477 1.697 10 0 DDAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000237889438 202381060 /nfs/dbraw/zinc/38/10/60/202381060.db2.gz DWHDOKCANBJKQG-IRXDYDNUSA-N 2 1 301.434 1.501 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](CC)CCOC ZINC000093591125 193271586 /nfs/dbraw/zinc/27/15/86/193271586.db2.gz OZYOWFVSFGYXJW-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](CC)CCOC ZINC000093591125 193271588 /nfs/dbraw/zinc/27/15/88/193271588.db2.gz OZYOWFVSFGYXJW-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP [NH3+]Cc1ccc(C(F)(F)F)nc1N1CC[NH+](C2CC2)CC1 ZINC000094334178 193360283 /nfs/dbraw/zinc/36/02/83/193360283.db2.gz DJUDEJOHXBUGHB-UHFFFAOYSA-N 2 1 300.328 1.844 10 0 DDAEMP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000042169386 183238091 /nfs/dbraw/zinc/23/80/91/183238091.db2.gz SJILWLJHYDWVJC-AWEZNQCLSA-N 2 1 307.463 1.925 10 0 DDAEMP CCCC[C@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915394 194169685 /nfs/dbraw/zinc/16/96/85/194169685.db2.gz KGUUYNUGBKDKMS-GDBMZVCRSA-N 2 1 314.470 1.743 10 0 DDAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)[NH2+]C ZINC000111169894 194398421 /nfs/dbraw/zinc/39/84/21/194398421.db2.gz CYNAFOALVMHSNB-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)C[C@@H]1CCCOC1)[NH2+]C ZINC000111169894 194398423 /nfs/dbraw/zinc/39/84/23/194398423.db2.gz CYNAFOALVMHSNB-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@](C)(CCC[N@H+](C)CC1CCOCC1)C(=O)OC ZINC000111170132 194398454 /nfs/dbraw/zinc/39/84/54/194398454.db2.gz PCNYKOYNVUQDEG-MRXNPFEDSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)CC1CCOCC1)C(=O)OC ZINC000111170132 194398456 /nfs/dbraw/zinc/39/84/56/194398456.db2.gz PCNYKOYNVUQDEG-MRXNPFEDSA-N 2 1 300.443 1.666 10 0 DDAEMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000158080656 197241555 /nfs/dbraw/zinc/24/15/55/197241555.db2.gz YFXXXDBIOZDROR-QZTJIDSGSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000158080656 197241557 /nfs/dbraw/zinc/24/15/57/197241557.db2.gz YFXXXDBIOZDROR-QZTJIDSGSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158080656 197241558 /nfs/dbraw/zinc/24/15/58/197241558.db2.gz YFXXXDBIOZDROR-QZTJIDSGSA-N 2 1 306.450 1.838 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113601994 407518308 /nfs/dbraw/zinc/51/83/08/407518308.db2.gz ZZXMKBPFCSTWKN-XHSDSOJGSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000113601994 407518313 /nfs/dbraw/zinc/51/83/13/407518313.db2.gz ZZXMKBPFCSTWKN-XHSDSOJGSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000113601994 407518319 /nfs/dbraw/zinc/51/83/19/407518319.db2.gz ZZXMKBPFCSTWKN-XHSDSOJGSA-N 2 1 308.470 1.596 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171614422 407719506 /nfs/dbraw/zinc/71/95/06/407719506.db2.gz KZTVISGQZHNSFF-SJORKVTESA-N 2 1 301.434 1.466 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171614422 407719514 /nfs/dbraw/zinc/71/95/14/407719514.db2.gz KZTVISGQZHNSFF-SJORKVTESA-N 2 1 301.434 1.466 10 0 DDAEMP Cc1csc(=O)n1CC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262112475 407743920 /nfs/dbraw/zinc/74/39/20/407743920.db2.gz BBYGQCMNWVIHLJ-CVEARBPZSA-N 2 1 317.458 1.893 10 0 DDAEMP CC(C)n1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000179517020 407799325 /nfs/dbraw/zinc/79/93/25/407799325.db2.gz DHBFRMFAPKSDIA-OAHLLOKOSA-N 2 1 308.470 1.989 10 0 DDAEMP Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)nc12 ZINC000262556850 407866555 /nfs/dbraw/zinc/86/65/55/407866555.db2.gz UKXWBLAMKGIDED-OAHLLOKOSA-N 2 1 300.406 1.577 10 0 DDAEMP Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)nc12 ZINC000262556850 407866559 /nfs/dbraw/zinc/86/65/59/407866559.db2.gz UKXWBLAMKGIDED-OAHLLOKOSA-N 2 1 300.406 1.577 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262583808 407875769 /nfs/dbraw/zinc/87/57/69/407875769.db2.gz ZLAXQVLLVQUJAP-BSWAZPDLSA-N 2 1 301.434 1.875 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262583808 407875778 /nfs/dbraw/zinc/87/57/78/407875778.db2.gz ZLAXQVLLVQUJAP-BSWAZPDLSA-N 2 1 301.434 1.875 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000263197029 408053686 /nfs/dbraw/zinc/05/36/86/408053686.db2.gz INIDLDKXXXOUGO-FZMZJTMJSA-N 2 1 306.797 1.400 10 0 DDAEMP CC[C@@H]1CN(Cc2nccc(OC)c2OC)CC[N@H+]1CCOC ZINC000190523873 408267799 /nfs/dbraw/zinc/26/77/99/408267799.db2.gz GLIWLZZUWWKDSL-CQSZACIVSA-N 2 1 323.437 1.641 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000247039704 408394325 /nfs/dbraw/zinc/39/43/25/408394325.db2.gz MXGMKUXQOFOIPL-RISCZKNCSA-N 2 1 319.409 1.033 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000247039704 408394331 /nfs/dbraw/zinc/39/43/31/408394331.db2.gz MXGMKUXQOFOIPL-RISCZKNCSA-N 2 1 319.409 1.033 10 0 DDAEMP FC(F)(F)Cn1ccnc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275653022 408635227 /nfs/dbraw/zinc/63/52/27/408635227.db2.gz UNGUSYBHYAVWAF-LLVKDONJSA-N 2 1 313.327 1.994 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCCN1CC(=O)N(C)CC(F)(F)F ZINC000178319011 408805359 /nfs/dbraw/zinc/80/53/59/408805359.db2.gz YQKWBDQNQSIHBJ-GFCCVEGCSA-N 2 1 318.343 1.677 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000178329156 408807263 /nfs/dbraw/zinc/80/72/63/408807263.db2.gz MXGMKUXQOFOIPL-SMDDNHRTSA-N 2 1 319.409 1.033 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000178329156 408807267 /nfs/dbraw/zinc/80/72/67/408807267.db2.gz MXGMKUXQOFOIPL-SMDDNHRTSA-N 2 1 319.409 1.033 10 0 DDAEMP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638513714 422937618 /nfs/dbraw/zinc/93/76/18/422937618.db2.gz NDNIXFRYYSZAQW-DLBZAZTESA-N 2 1 319.449 1.329 10 0 DDAEMP C[NH+](C)CC1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000119112265 281090759 /nfs/dbraw/zinc/09/07/59/281090759.db2.gz FYLXMVYYJXHKQU-JCYILVPMSA-N 2 1 322.497 1.987 10 0 DDAEMP [NH3+]C[C@@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CO1 ZINC000713823066 699267605 /nfs/dbraw/zinc/26/76/05/699267605.db2.gz RFGQBODJCMXVQT-IRXDYDNUSA-N 2 1 317.433 1.085 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@H]1C(C)C ZINC000888097743 709212605 /nfs/dbraw/zinc/21/26/05/709212605.db2.gz NSTSURPEHZFDBH-TVFCKZIOSA-N 2 1 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DDAEMP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309532117 409784128 /nfs/dbraw/zinc/78/41/28/409784128.db2.gz CQUVOVAHFAYLNH-JCYILVPMSA-N 2 1 301.434 1.895 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836196 423147983 /nfs/dbraw/zinc/14/79/83/423147983.db2.gz RLRTVBBBCHJRLB-OIISXLGYSA-N 2 1 303.450 1.998 10 0 DDAEMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649335555 423763399 /nfs/dbraw/zinc/76/33/99/423763399.db2.gz JPNJTDNBAGIRSI-DLBZAZTESA-N 2 1 317.433 1.003 10 0 DDAEMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171903271 278340652 /nfs/dbraw/zinc/34/06/52/278340652.db2.gz IRKLPLUTWLGFIY-HNNXBMFYSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246389348 279124609 /nfs/dbraw/zinc/12/46/09/279124609.db2.gz IHWSLHKRUJZCOP-CVEARBPZSA-N 2 1 310.486 1.842 10 0 DDAEMP O=C(OCc1ccccc1)N1CC([NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000397228023 302352926 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ZCHSIUHYGQSZGU-XHSDSOJGSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247520429 279273055 /nfs/dbraw/zinc/27/30/55/279273055.db2.gz ZCHSIUHYGQSZGU-XHSDSOJGSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247520429 279273056 /nfs/dbraw/zinc/27/30/56/279273056.db2.gz ZCHSIUHYGQSZGU-XHSDSOJGSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@@H](C)C1 ZINC000128584900 281316027 /nfs/dbraw/zinc/31/60/27/281316027.db2.gz UOQDLGQPPFPGPU-HRCADAONSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000128584900 281316028 /nfs/dbraw/zinc/31/60/28/281316028.db2.gz UOQDLGQPPFPGPU-HRCADAONSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000128584900 281316030 /nfs/dbraw/zinc/31/60/30/281316030.db2.gz UOQDLGQPPFPGPU-HRCADAONSA-N 2 1 310.486 1.842 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000381096739 490777629 /nfs/dbraw/zinc/77/76/29/490777629.db2.gz YIJYYCLQCDAJSK-WMZOPIPTSA-N 2 1 305.466 1.553 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000261551967 698427850 /nfs/dbraw/zinc/42/78/50/698427850.db2.gz QWOXTSHTLMTZFN-CQSZACIVSA-N 2 1 312.417 1.791 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH3+])o1 ZINC000309694012 698665828 /nfs/dbraw/zinc/66/58/28/698665828.db2.gz DPPSHOZBEROWDD-ZDUSSCGKSA-N 2 1 301.390 1.989 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711382137 699257206 /nfs/dbraw/zinc/25/72/06/699257206.db2.gz DATZQWHCMJIANF-ZBFHGGJFSA-N 2 1 303.450 1.869 10 0 DDAEMP COCC[NH2+]Cc1sc(N(C)C[C@@H]2CCC[N@H+]2C)nc1C ZINC000092677788 185333453 /nfs/dbraw/zinc/33/34/53/185333453.db2.gz WFLNJSAXWSRGAO-ZDUSSCGKSA-N 2 1 312.483 1.718 10 0 DDAEMP OCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000399002004 354657419 /nfs/dbraw/zinc/65/74/19/354657419.db2.gz SZSFQYCBWODIKM-UHFFFAOYSA-N 2 1 313.239 1.995 10 0 DDAEMP CCOC(=O)[C@@H]([NH3+])CCSC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000080746768 192186888 /nfs/dbraw/zinc/18/68/88/192186888.db2.gz URYYFTJLUXFBLC-STQMWFEESA-N 2 1 304.456 1.109 10 0 DDAEMP CCOC(=O)[C@@H]([NH3+])CCSC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000080746768 192186890 /nfs/dbraw/zinc/18/68/90/192186890.db2.gz URYYFTJLUXFBLC-STQMWFEESA-N 2 1 304.456 1.109 10 0 DDAEMP CCC[NH2+]CCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542690 192287859 /nfs/dbraw/zinc/28/78/59/192287859.db2.gz XFHIQKZIITVFBI-UHFFFAOYSA-N 2 1 305.348 1.892 10 0 DDAEMP CCC[NH2+]CCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542690 192287860 /nfs/dbraw/zinc/28/78/60/192287860.db2.gz XFHIQKZIITVFBI-UHFFFAOYSA-N 2 1 305.348 1.892 10 0 DDAEMP Cc1nn(C)c(C[C@H]([NH3+])C(C)(C)[NH+](C)C)c1Br ZINC000091528505 193069725 /nfs/dbraw/zinc/06/97/25/193069725.db2.gz ZYMPROXAJUQAPL-JTQLQIEISA-N 2 1 303.248 1.701 10 0 DDAEMP CC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC([NH3+])CC1 ZINC000093698457 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ZINC000262033384 407718051 /nfs/dbraw/zinc/71/80/51/407718051.db2.gz OGSGOIWTJWDGHV-KRWDZBQOSA-N 2 1 305.470 1.279 10 0 DDAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000262033384 407718057 /nfs/dbraw/zinc/71/80/57/407718057.db2.gz OGSGOIWTJWDGHV-KRWDZBQOSA-N 2 1 305.470 1.279 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262210570 407766146 /nfs/dbraw/zinc/76/61/46/407766146.db2.gz DXFZWFQOFOUGSW-XJKSGUPXSA-N 2 1 305.422 1.831 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCCc3ccc(F)cc3)C[C@@H]12 ZINC000262393444 407823004 /nfs/dbraw/zinc/82/30/04/407823004.db2.gz BNTOJAXNZZNRDW-FVQBIDKESA-N 2 1 305.397 1.154 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(F)cc3)C[C@@H]12 ZINC000262393444 407823012 /nfs/dbraw/zinc/82/30/12/407823012.db2.gz BNTOJAXNZZNRDW-FVQBIDKESA-N 2 1 305.397 1.154 10 0 DDAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C[C@H]2CCC[NH+]2CC)C1 ZINC000245431300 407979238 /nfs/dbraw/zinc/97/92/38/407979238.db2.gz MWGSZVTWIPIPLH-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000245431300 407979247 /nfs/dbraw/zinc/97/92/47/407979247.db2.gz MWGSZVTWIPIPLH-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000245431300 407979252 /nfs/dbraw/zinc/97/92/52/407979252.db2.gz MWGSZVTWIPIPLH-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263197873 408053915 /nfs/dbraw/zinc/05/39/15/408053915.db2.gz IRNCEPCVZIKWSL-IRXDYDNUSA-N 2 1 305.466 1.315 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000263251849 408076247 /nfs/dbraw/zinc/07/62/47/408076247.db2.gz QAQNDDRTLWUOPS-TVQRCGJNSA-N 2 1 308.332 1.025 10 0 DDAEMP CC(C)(CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000171897925 162245628 /nfs/dbraw/zinc/24/56/28/162245628.db2.gz QUHGOGSCXNXZSH-HNNXBMFYSA-N 2 1 308.470 1.741 10 0 DDAEMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261974289 163740404 /nfs/dbraw/zinc/74/04/04/163740404.db2.gz QVMDXIURYRFESZ-BSDSXHPESA-N 2 1 320.433 1.475 10 0 DDAEMP COc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263285456 163944419 /nfs/dbraw/zinc/94/44/19/163944419.db2.gz UYLJNJTWZVFYQR-JQWIXIFHSA-N 2 1 315.211 1.128 10 0 DDAEMP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309532121 409784731 /nfs/dbraw/zinc/78/47/31/409784731.db2.gz CQUVOVAHFAYLNH-OFLPRAFFSA-N 2 1 301.434 1.895 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309571652 418590144 /nfs/dbraw/zinc/59/01/44/418590144.db2.gz GPYHHOLXVJQWBS-YESZJQIVSA-N 2 1 301.434 1.752 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000389988191 418753511 /nfs/dbraw/zinc/75/35/11/418753511.db2.gz NAOOWGVPXADVTK-UBDQQSCGSA-N 2 1 315.461 1.998 10 0 DDAEMP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1C[NH2+]C1 ZINC000262362574 279198378 /nfs/dbraw/zinc/19/83/78/279198378.db2.gz KQANWJYRVRNKQJ-GJZGRUSLSA-N 2 1 301.434 1.575 10 0 DDAEMP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1C[NH2+]C1 ZINC000262362574 279198382 /nfs/dbraw/zinc/19/83/82/279198382.db2.gz KQANWJYRVRNKQJ-GJZGRUSLSA-N 2 1 301.434 1.575 10 0 DDAEMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262127897 484264271 /nfs/dbraw/zinc/26/42/71/484264271.db2.gz NHBSQANOIXQOPS-NVXWUHKLSA-N 2 1 312.417 1.519 10 0 DDAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000174235842 535256904 /nfs/dbraw/zinc/25/69/04/535256904.db2.gz RKBNNMDINPDIIV-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000174235842 535256908 /nfs/dbraw/zinc/25/69/08/535256908.db2.gz RKBNNMDINPDIIV-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000174235842 535256913 /nfs/dbraw/zinc/25/69/13/535256913.db2.gz RKBNNMDINPDIIV-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000261551964 698427857 /nfs/dbraw/zinc/42/78/57/698427857.db2.gz QWOXTSHTLMTZFN-AWEZNQCLSA-N 2 1 312.417 1.791 10 0 DDAEMP Cc1c(C[NH3+])cccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092679538 185333431 /nfs/dbraw/zinc/33/34/31/185333431.db2.gz UZVRRZRDBYZRIB-AWEZNQCLSA-N 2 1 311.451 1.168 10 0 DDAEMP Cc1cc[nH+]c(N)c1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077718 539563001 /nfs/dbraw/zinc/56/30/01/539563001.db2.gz HPQUDNUFJHAVRK-GFCCVEGCSA-N 2 1 304.394 1.934 10 0 DDAEMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000236690802 201968214 /nfs/dbraw/zinc/96/82/14/201968214.db2.gz XQZKEEFEFVZQMK-OAGGEKHMSA-N 2 1 311.470 1.367 10 0 DDAEMP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@@H+]1CCc2sccc2C1 ZINC000261768033 203112837 /nfs/dbraw/zinc/11/28/37/203112837.db2.gz MDJBLSGKIYKKRM-YUTCNCBUSA-N 2 1 323.462 1.117 10 0 DDAEMP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@H+]1CCc2sccc2C1 ZINC000261768033 203112841 /nfs/dbraw/zinc/11/28/41/203112841.db2.gz MDJBLSGKIYKKRM-YUTCNCBUSA-N 2 1 323.462 1.117 10 0 DDAEMP C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC[N@H+]1C ZINC000094336751 193361055 /nfs/dbraw/zinc/36/10/55/193361055.db2.gz QGDZLYLPWCLRHZ-QMMMGPOBSA-N 2 1 301.316 1.525 10 0 DDAEMP CCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638606 193387686 /nfs/dbraw/zinc/38/76/86/193387686.db2.gz DYUMACQJBCVHIG-CABCVRRESA-N 2 1 302.484 1.806 10 0 DDAEMP CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638606 193387687 /nfs/dbraw/zinc/38/76/87/193387687.db2.gz DYUMACQJBCVHIG-CABCVRRESA-N 2 1 302.484 1.806 10 0 DDAEMP C[NH+](C)CCC(=O)NCCCC[N@H+]1CCc2ccccc2C1 ZINC000041536278 183199834 /nfs/dbraw/zinc/19/98/34/183199834.db2.gz SRHJRLIOZWIKRW-UHFFFAOYSA-N 2 1 303.450 1.893 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105079464 194069988 /nfs/dbraw/zinc/06/99/88/194069988.db2.gz CVMVEACODFKGCG-MRXNPFEDSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)(C)[NH+]1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000048946249 183698130 /nfs/dbraw/zinc/69/81/30/183698130.db2.gz IPBSMHSAZQULSA-UHFFFAOYSA-N 2 1 317.499 1.122 10 0 DDAEMP COCCOc1ccccc1C[NH+]1CCN(CCC[NH3+])CC1 ZINC000066143156 184393177 /nfs/dbraw/zinc/39/31/77/184393177.db2.gz CBIIAESFVGWRRY-UHFFFAOYSA-N 2 1 307.438 1.178 10 0 DDAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H](C)[NH3+])cc2F)CC1 ZINC000178655395 407532370 /nfs/dbraw/zinc/53/23/70/407532370.db2.gz ZWDZBZHBOXFZKE-CYBMUJFWSA-N 2 1 322.428 1.435 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000178687732 407549714 /nfs/dbraw/zinc/54/97/14/407549714.db2.gz VHQATCPUEJVASK-GPANFISMSA-N 2 1 310.486 1.890 10 0 DDAEMP CN(C)c1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261765420 407606637 /nfs/dbraw/zinc/60/66/37/407606637.db2.gz RPFANCOCPFISOX-SJORKVTESA-N 2 1 311.433 1.717 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936256 407677550 /nfs/dbraw/zinc/67/75/50/407677550.db2.gz WVVDGQDKFSQGDR-HZPDHXFCSA-N 2 1 323.481 1.607 10 0 DDAEMP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261974352 407699253 /nfs/dbraw/zinc/69/92/53/407699253.db2.gz QXSHKKSGHMXVFI-FVQBIDKESA-N 2 1 308.397 1.951 10 0 DDAEMP COC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000262299375 407786741 /nfs/dbraw/zinc/78/67/41/407786741.db2.gz NSEGGLZIBBTYOB-CJNGLKHVSA-N 2 1 321.421 1.319 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262295593 407788867 /nfs/dbraw/zinc/78/88/67/407788867.db2.gz NISNHZZRJLXLKH-PBHICJAKSA-N 2 1 319.449 1.651 10 0 DDAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1Br ZINC000263222636 408064904 /nfs/dbraw/zinc/06/49/04/408064904.db2.gz MEYOKZJOGVZKNY-CMPLNLGQSA-N 2 1 315.211 1.128 10 0 DDAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246010151 408119564 /nfs/dbraw/zinc/11/95/64/408119564.db2.gz IWWURAFMDQSTCH-XUWVNRHRSA-N 2 1 310.486 1.698 10 0 DDAEMP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000246161025 408160965 /nfs/dbraw/zinc/16/09/65/408160965.db2.gz AHPRSIVDDSXEHT-UKPHBRMFSA-N 2 1 301.434 1.677 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000182752510 408239702 /nfs/dbraw/zinc/23/97/02/408239702.db2.gz INAHEUWDTOBBLS-HNNXBMFYSA-N 2 1 306.450 1.704 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246365454 408235729 /nfs/dbraw/zinc/23/57/29/408235729.db2.gz IRUMTGAOGQMCJF-GVDBMIGSSA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000246365454 408235735 /nfs/dbraw/zinc/23/57/35/408235735.db2.gz IRUMTGAOGQMCJF-GVDBMIGSSA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000246365454 408235740 /nfs/dbraw/zinc/23/57/40/408235740.db2.gz IRUMTGAOGQMCJF-GVDBMIGSSA-N 2 1 322.497 1.842 10 0 DDAEMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167971853 162177533 /nfs/dbraw/zinc/17/75/33/162177533.db2.gz KPDRHAFTYZIDGC-DLBZAZTESA-N 2 1 317.433 1.006 10 0 DDAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247253838 408439150 /nfs/dbraw/zinc/43/91/50/408439150.db2.gz UDZLYQONVJZSER-SOUVJXGZSA-N 2 1 313.486 1.314 10 0 DDAEMP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396438 408558987 /nfs/dbraw/zinc/55/89/87/408558987.db2.gz GZAUMKLXOUROHK-ZMSDIMECSA-N 2 1 322.497 1.985 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)CC1 ZINC000178283907 408798180 /nfs/dbraw/zinc/79/81/80/408798180.db2.gz YMBGQHCFYMFAKQ-MRXNPFEDSA-N 2 1 304.438 1.914 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC000178283907 408798183 /nfs/dbraw/zinc/79/81/83/408798183.db2.gz YMBGQHCFYMFAKQ-MRXNPFEDSA-N 2 1 304.438 1.914 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837241 423151042 /nfs/dbraw/zinc/15/10/42/423151042.db2.gz YIUOTHUZBGHLQK-PVAVHDDUSA-N 2 1 301.434 1.480 10 0 DDAEMP C[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000249608352 274265872 /nfs/dbraw/zinc/26/58/72/274265872.db2.gz RROVQHFBFNYOIH-CRAIPNDOSA-N 2 1 306.450 1.745 10 0 DDAEMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262043618 276003951 /nfs/dbraw/zinc/00/39/51/276003951.db2.gz YWIGFNRCTKLLLF-RCCFBDPRSA-N 3 1 309.498 1.855 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](C)CC1 ZINC000175556311 279172343 /nfs/dbraw/zinc/17/23/43/279172343.db2.gz DUYGMWBDODXILS-HNNXBMFYSA-N 2 1 305.426 1.460 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000171903428 279330485 /nfs/dbraw/zinc/33/04/85/279330485.db2.gz PMHFCEUTOIUICM-HZPDHXFCSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261787343 297026113 /nfs/dbraw/zinc/02/61/13/297026113.db2.gz PVZDMMXLZZNQMK-ZHCJQAHYSA-N 2 1 323.481 1.462 10 0 DDAEMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261787343 297026115 /nfs/dbraw/zinc/02/61/15/297026115.db2.gz PVZDMMXLZZNQMK-ZHCJQAHYSA-N 2 1 323.481 1.462 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261899941 297095454 /nfs/dbraw/zinc/09/54/54/297095454.db2.gz ORWAOHVJJCBIEI-KAYRBKQESA-N 2 1 321.465 1.214 10 0 DDAEMP O=C(OCc1ccccc1)N1CC([NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000397228024 302352873 /nfs/dbraw/zinc/35/28/73/302352873.db2.gz DCHMJJOWZSENKH-OAHLLOKOSA-N 2 1 303.406 1.739 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OC(F)F)cc1C ZINC000263110319 484274444 /nfs/dbraw/zinc/27/44/44/484274444.db2.gz AFPTYBNYBLUANN-QWHCGFSZSA-N 2 1 300.349 1.575 10 0 DDAEMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000171191597 697355435 /nfs/dbraw/zinc/35/54/35/697355435.db2.gz FGCMQSVVHOMAOA-MRXNPFEDSA-N 2 1 313.405 1.766 10 0 DDAEMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261877198 698442151 /nfs/dbraw/zinc/44/21/51/698442151.db2.gz DUFZMLJKYTWWPN-BSDSXHPESA-N 2 1 304.434 1.775 10 0 DDAEMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261908023 698444399 /nfs/dbraw/zinc/44/43/99/698444399.db2.gz IQGZROPTJYAWFC-BSDSXHPESA-N 2 1 320.433 1.475 10 0 DDAEMP COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262039668 698451833 /nfs/dbraw/zinc/45/18/33/698451833.db2.gz YIEKYDXRUDQSKJ-KZNAEPCWSA-N 2 1 320.433 1.821 10 0 DDAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3CCCC[C@@H]3O)C2)ccn1 ZINC000886062968 708690780 /nfs/dbraw/zinc/69/07/80/708690780.db2.gz DKSXBECBQVHFMI-SQNIBIBYSA-N 2 1 319.449 1.900 10 0 DDAEMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098108 709213067 /nfs/dbraw/zinc/21/30/67/709213067.db2.gz ZXMPZKZMERVUDC-TXCZRRACSA-N 2 1 321.469 1.428 10 0 DDAEMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098108 709213068 /nfs/dbraw/zinc/21/30/68/709213068.db2.gz ZXMPZKZMERVUDC-TXCZRRACSA-N 2 1 321.469 1.428 10 0 DDAEMP CC(C)(C)[C@H](CC[NH3+])CCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000079296859 185163830 /nfs/dbraw/zinc/16/38/30/185163830.db2.gz VTMYSGOFSMFTLA-AWEZNQCLSA-N 2 1 319.515 1.355 10 0 DDAEMP CCC[NH2+][C@@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435112 185250130 /nfs/dbraw/zinc/25/01/30/185250130.db2.gz DHFZTUASIDULIR-AAEUAGOBSA-N 2 1 309.376 1.894 10 0 DDAEMP CCC[NH2+][C@@](C)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435112 185250131 /nfs/dbraw/zinc/25/01/31/185250131.db2.gz DHFZTUASIDULIR-AAEUAGOBSA-N 2 1 309.376 1.894 10 0 DDAEMP Cc1nc(C)c(C[N@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000088868364 185267566 /nfs/dbraw/zinc/26/75/66/185267566.db2.gz YOGAJRWXDNAMJM-ZDUSSCGKSA-N 2 1 308.451 1.156 10 0 DDAEMP C[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000090438623 185296558 /nfs/dbraw/zinc/29/65/58/185296558.db2.gz POVWDDCDECTUAU-XJKSGUPXSA-N 2 1 309.841 1.696 10 0 DDAEMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000494952960 235107277 /nfs/dbraw/zinc/10/72/77/235107277.db2.gz NEIBRSKUAWLRJU-JXQTWKCFSA-N 2 1 315.458 1.334 10 0 DDAEMP CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)c1Br ZINC000091528402 193069416 /nfs/dbraw/zinc/06/94/16/193069416.db2.gz DELKMFAWWSKHJC-LLVKDONJSA-N 2 1 317.275 1.955 10 0 DDAEMP CSC1(C[NH3+])CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000091473343 193061209 /nfs/dbraw/zinc/06/12/09/193061209.db2.gz OUZNAERQXMSOJA-UHFFFAOYSA-N 2 1 311.426 1.921 10 0 DDAEMP CCC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCOC ZINC000093592048 193271390 /nfs/dbraw/zinc/27/13/90/193271390.db2.gz MQSNTNMJHMLFKJ-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CCC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)CCOC ZINC000093592048 193271392 /nfs/dbraw/zinc/27/13/92/193271392.db2.gz MQSNTNMJHMLFKJ-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OCC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592038 193271659 /nfs/dbraw/zinc/27/16/59/193271659.db2.gz MQLCWPFCHXZMNC-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OCC)CCC[C@H]1CC[N@@H+](C)CCOC ZINC000093592038 193271660 /nfs/dbraw/zinc/27/16/60/193271660.db2.gz MQLCWPFCHXZMNC-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP [NH3+]C[C@]1(O)CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093626895 193276774 /nfs/dbraw/zinc/27/67/74/193276774.db2.gz FAFZAPSFZJIZOF-CHWSQXEVSA-N 2 1 309.376 1.046 10 0 DDAEMP CN(C)C(=O)Cc1nc(C[N@@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000094024466 193340196 /nfs/dbraw/zinc/34/01/96/193340196.db2.gz ALIJQLSHTNJBMF-UHFFFAOYSA-N 2 1 310.467 1.205 10 0 DDAEMP CCC[NH2+]CCCS(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094445669 193371599 /nfs/dbraw/zinc/37/15/99/193371599.db2.gz OIQHLKSTNPGNGO-LSDHHAIUSA-N 2 1 317.499 1.265 10 0 DDAEMP CCC[NH2+]CCCS(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094445669 193371601 /nfs/dbraw/zinc/37/16/01/193371601.db2.gz OIQHLKSTNPGNGO-LSDHHAIUSA-N 2 1 317.499 1.265 10 0 DDAEMP CN(Cc1cc(Br)cs1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990597 184200054 /nfs/dbraw/zinc/20/00/54/184200054.db2.gz JDCKBSJNKLEKIH-GFCCVEGCSA-N 2 1 318.284 1.975 10 0 DDAEMP CN(Cc1cc(Br)cs1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990597 184200055 /nfs/dbraw/zinc/20/00/55/184200055.db2.gz JDCKBSJNKLEKIH-GFCCVEGCSA-N 2 1 318.284 1.975 10 0 DDAEMP c1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)nc1 ZINC000262037263 285484528 /nfs/dbraw/zinc/48/45/28/285484528.db2.gz YDXUTZDFNRFHDG-HZMVEIRTSA-N 2 1 316.449 1.407 10 0 DDAEMP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638300961 422813388 /nfs/dbraw/zinc/81/33/88/422813388.db2.gz IIENKJFEBNQKNK-QILLFSRXSA-N 2 1 319.449 1.390 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000113615108 297093509 /nfs/dbraw/zinc/09/35/09/297093509.db2.gz RQMFXRXIPSKQQO-GDBMZVCRSA-N 2 1 308.470 1.596 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000263123484 484274214 /nfs/dbraw/zinc/27/42/14/484274214.db2.gz BCLDLXLJRDUISG-CABZTGNLSA-N 2 1 319.630 1.772 10 0 DDAEMP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000261928150 407675369 /nfs/dbraw/zinc/67/53/69/407675369.db2.gz LJJCNUKOOMKYNJ-OAGGEKHMSA-N 2 1 304.438 1.549 10 0 DDAEMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261990096 407705317 /nfs/dbraw/zinc/70/53/17/407705317.db2.gz SNCJQIKRZILIEC-RCCFBDPRSA-N 2 1 317.433 1.892 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCCCNC3=O)C2)[nH+]1 ZINC000119010581 407978032 /nfs/dbraw/zinc/97/80/32/407978032.db2.gz VINUWUVMTKQBPO-HUUCEWRRSA-N 2 1 302.422 1.793 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000263224044 408064770 /nfs/dbraw/zinc/06/47/70/408064770.db2.gz MLSHIVQLUVGJEK-RYUDHWBXSA-N 2 1 304.312 1.298 10 0 DDAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175327255 408105656 /nfs/dbraw/zinc/10/56/56/408105656.db2.gz HYYMKKAZRIUXJF-IAGOWNOFSA-N 2 1 323.481 1.476 10 0 DDAEMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000175327255 408105661 /nfs/dbraw/zinc/10/56/61/408105661.db2.gz HYYMKKAZRIUXJF-IAGOWNOFSA-N 2 1 323.481 1.476 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246779313 408339027 /nfs/dbraw/zinc/33/90/27/408339027.db2.gz BEEGUYBNJGKXRT-BRWVUGGUSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000246779313 408339033 /nfs/dbraw/zinc/33/90/33/408339033.db2.gz BEEGUYBNJGKXRT-BRWVUGGUSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000246779313 408339037 /nfs/dbraw/zinc/33/90/37/408339037.db2.gz BEEGUYBNJGKXRT-BRWVUGGUSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247335089 408452636 /nfs/dbraw/zinc/45/26/36/408452636.db2.gz NELNKNDFVCXFHC-BBWFWOEESA-N 2 1 324.513 1.992 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000247335089 408452643 /nfs/dbraw/zinc/45/26/43/408452643.db2.gz NELNKNDFVCXFHC-BBWFWOEESA-N 2 1 324.513 1.992 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000247335089 408452645 /nfs/dbraw/zinc/45/26/45/408452645.db2.gz NELNKNDFVCXFHC-BBWFWOEESA-N 2 1 324.513 1.992 10 0 DDAEMP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000262359858 163813893 /nfs/dbraw/zinc/81/38/93/163813893.db2.gz WGIOIKLJSVUCIZ-HOCLYGCPSA-N 2 1 301.434 1.757 10 0 DDAEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000195294301 222196673 /nfs/dbraw/zinc/19/66/73/222196673.db2.gz WTIFCDBHHCLFTB-MRXNPFEDSA-N 2 1 318.465 1.750 10 0 DDAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000195294301 222196674 /nfs/dbraw/zinc/19/66/74/222196674.db2.gz WTIFCDBHHCLFTB-MRXNPFEDSA-N 2 1 318.465 1.750 10 0 DDAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000291181848 222203253 /nfs/dbraw/zinc/20/32/53/222203253.db2.gz OGOWIWKOBZNRLW-QRQLOZEOSA-N 2 1 317.477 1.960 10 0 DDAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000291181848 222203257 /nfs/dbraw/zinc/20/32/57/222203257.db2.gz OGOWIWKOBZNRLW-QRQLOZEOSA-N 2 1 317.477 1.960 10 0 DDAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389864918 418751014 /nfs/dbraw/zinc/75/10/14/418751014.db2.gz GFROGLWGTQUFAL-DJIMGWMZSA-N 2 1 303.450 1.997 10 0 DDAEMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380949465 418728117 /nfs/dbraw/zinc/72/81/17/418728117.db2.gz QLAZQLBRGRUJLX-IAGOWNOFSA-N 2 1 303.450 1.998 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000245663418 281196856 /nfs/dbraw/zinc/19/68/56/281196856.db2.gz DLVYINZFQFSGEJ-RDJZCZTQSA-N 2 1 320.481 1.881 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000151115058 281245362 /nfs/dbraw/zinc/24/53/62/281245362.db2.gz SPECKWRINNKZIA-HNNXBMFYSA-N 2 1 302.422 1.746 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261899943 297095687 /nfs/dbraw/zinc/09/56/87/297095687.db2.gz ORWAOHVJJCBIEI-VPKNTQAGSA-N 2 1 321.465 1.214 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248756268 300318249 /nfs/dbraw/zinc/31/82/49/300318249.db2.gz VXMAFISELFZEFV-HOTGVXAUSA-N 2 1 322.497 1.987 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1CC ZINC000261882479 484259006 /nfs/dbraw/zinc/25/90/06/484259006.db2.gz ZHZCJLLEMIVATC-OWCLPIDISA-N 2 1 311.470 1.321 10 0 DDAEMP CC[C@](C)(O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189247240 523492833 /nfs/dbraw/zinc/49/28/33/523492833.db2.gz NBWFWCPFLVCXGH-ZWKOTPCHSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@](C)(O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189247240 523492843 /nfs/dbraw/zinc/49/28/43/523492843.db2.gz NBWFWCPFLVCXGH-ZWKOTPCHSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@](C)(O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000189247240 523492848 /nfs/dbraw/zinc/49/28/48/523492848.db2.gz NBWFWCPFLVCXGH-ZWKOTPCHSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@](C)(O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000189247240 523492856 /nfs/dbraw/zinc/49/28/56/523492856.db2.gz NBWFWCPFLVCXGH-ZWKOTPCHSA-N 2 1 306.450 1.716 10 0 DDAEMP Cc1csc2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cc(=O)n12 ZINC000231670299 697786877 /nfs/dbraw/zinc/78/68/77/697786877.db2.gz FEUIFMKTKKAKJY-ZDUSSCGKSA-N 2 1 306.435 1.638 10 0 DDAEMP Cc1csc2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc(=O)n12 ZINC000231670299 697786880 /nfs/dbraw/zinc/78/68/80/697786880.db2.gz FEUIFMKTKKAKJY-ZDUSSCGKSA-N 2 1 306.435 1.638 10 0 DDAEMP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261557094 698427588 /nfs/dbraw/zinc/42/75/88/698427588.db2.gz WZEASIUTILUCJD-QGZVFWFLSA-N 2 1 301.434 1.863 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000262164998 698457791 /nfs/dbraw/zinc/45/77/91/698457791.db2.gz UDADZTCAHDAPGK-JQWIXIFHSA-N 2 1 306.353 1.968 10 0 DDAEMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098104 709213141 /nfs/dbraw/zinc/21/31/41/709213141.db2.gz ZXMPZKZMERVUDC-JHNDHUHGSA-N 2 1 321.469 1.428 10 0 DDAEMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098104 709213143 /nfs/dbraw/zinc/21/31/43/709213143.db2.gz ZXMPZKZMERVUDC-JHNDHUHGSA-N 2 1 321.469 1.428 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCO[C@H]2CCCCO2)CC1 ZINC000248572361 282091741 /nfs/dbraw/zinc/09/17/41/282091741.db2.gz MKWVHEWOLXKDOA-WBVHZDCISA-N 2 1 314.470 1.554 10 0 DDAEMP C[NH2+][C@](C)(CCCC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435277 185250300 /nfs/dbraw/zinc/25/03/00/185250300.db2.gz YBVSBKIVSHSWQQ-WCQYABFASA-N 2 1 309.376 1.894 10 0 DDAEMP CCC(CC)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173499321 282221739 /nfs/dbraw/zinc/22/17/39/282221739.db2.gz ANCYIPOENSRDLK-CVEARBPZSA-N 2 1 311.470 1.286 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000106915864 282250984 /nfs/dbraw/zinc/25/09/84/282250984.db2.gz JGGPERMFTSVPEQ-QZTJIDSGSA-N 2 1 315.461 1.856 10 0 DDAEMP C[NH2+]Cc1sccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000092678609 185333513 /nfs/dbraw/zinc/33/35/13/185333513.db2.gz OXBWLSCIFLNWLM-LLVKDONJSA-N 2 1 317.480 1.182 10 0 DDAEMP CC(C)NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275697 201371932 /nfs/dbraw/zinc/37/19/32/201371932.db2.gz UXLQURZFLACSLN-QGZVFWFLSA-N 2 1 318.465 1.750 10 0 DDAEMP CC(C)NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275697 201371936 /nfs/dbraw/zinc/37/19/36/201371936.db2.gz UXLQURZFLACSLN-QGZVFWFLSA-N 2 1 318.465 1.750 10 0 DDAEMP CC(C)NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195275697 201371937 /nfs/dbraw/zinc/37/19/37/201371937.db2.gz UXLQURZFLACSLN-QGZVFWFLSA-N 2 1 318.465 1.750 10 0 DDAEMP CC(C)NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195275697 201371940 /nfs/dbraw/zinc/37/19/40/201371940.db2.gz UXLQURZFLACSLN-QGZVFWFLSA-N 2 1 318.465 1.750 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000091512078 193066691 /nfs/dbraw/zinc/06/66/91/193066691.db2.gz POZQJOWPFXHLRZ-IRXDYDNUSA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000091512078 193066693 /nfs/dbraw/zinc/06/66/93/193066693.db2.gz POZQJOWPFXHLRZ-IRXDYDNUSA-N 2 1 318.465 1.845 10 0 DDAEMP CC(C)[NH+](CC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)C ZINC000093696059 193292060 /nfs/dbraw/zinc/29/20/60/193292060.db2.gz KKWQGEPEDGQBLG-HNNXBMFYSA-N 2 1 319.515 1.366 10 0 DDAEMP c1csc(CC[NH2+]CCN2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000062974992 184263629 /nfs/dbraw/zinc/26/36/29/184263629.db2.gz DTUWFHANPCTYEI-OAHLLOKOSA-N 2 1 309.479 1.287 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000262054043 407726660 /nfs/dbraw/zinc/72/66/60/407726660.db2.gz ZZPOWNSZCUESTC-TVFCKZIOSA-N 2 1 309.498 1.854 10 0 DDAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC)c1OC ZINC000262466135 407842969 /nfs/dbraw/zinc/84/29/69/407842969.db2.gz IXIIPGRKASIBIT-UBHSHLNASA-N 2 1 306.406 1.882 10 0 DDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC)c1OC ZINC000262466135 407842976 /nfs/dbraw/zinc/84/29/76/407842976.db2.gz IXIIPGRKASIBIT-UBHSHLNASA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262473173 407844649 /nfs/dbraw/zinc/84/46/49/407844649.db2.gz JKBVCWPBLUCOAZ-UBHSHLNASA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262473173 407844654 /nfs/dbraw/zinc/84/46/54/407844654.db2.gz JKBVCWPBLUCOAZ-UBHSHLNASA-N 2 1 306.406 1.882 10 0 DDAEMP Cc1ccc2ncc(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)n2c1 ZINC000245717190 408051816 /nfs/dbraw/zinc/05/18/16/408051816.db2.gz HEOUNNCSMVNLTE-CABCVRRESA-N 2 1 302.422 1.530 10 0 DDAEMP COc1sc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000263211730 408059229 /nfs/dbraw/zinc/05/92/29/408059229.db2.gz KICOUEDRMVWMOK-XCBNKYQSSA-N 2 1 321.240 1.189 10 0 DDAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(SC)cc1OC ZINC000263318494 408104871 /nfs/dbraw/zinc/10/48/71/408104871.db2.gz ZVJBZFQUTBVXJK-RYUDHWBXSA-N 2 1 312.435 1.096 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000246426938 408251476 /nfs/dbraw/zinc/25/14/76/408251476.db2.gz STDNYWBNFQFLSY-BFYDXBDKSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000246426938 408251481 /nfs/dbraw/zinc/25/14/81/408251481.db2.gz STDNYWBNFQFLSY-BFYDXBDKSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000246426938 408251488 /nfs/dbraw/zinc/25/14/88/408251488.db2.gz STDNYWBNFQFLSY-BFYDXBDKSA-N 2 1 320.481 1.739 10 0 DDAEMP CC(C)COC[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171624536 162230082 /nfs/dbraw/zinc/23/00/82/162230082.db2.gz UGSQHOWQPYKDEW-NVXWUHKLSA-N 2 1 316.486 1.045 10 0 DDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247009355 408387915 /nfs/dbraw/zinc/38/79/15/408387915.db2.gz FTEHACYMDSBIFA-PMPSAXMXSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247489834 408482001 /nfs/dbraw/zinc/48/20/01/408482001.db2.gz UDMAVDQDCZVINH-HOCLYGCPSA-N 2 1 308.470 1.737 10 0 DDAEMP FC(F)(F)Cn1ccnc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275653024 408635781 /nfs/dbraw/zinc/63/57/81/408635781.db2.gz UNGUSYBHYAVWAF-NSHDSACASA-N 2 1 313.327 1.994 10 0 DDAEMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2Cn2ccnc2C)no1 ZINC000178301222 408801483 /nfs/dbraw/zinc/80/14/83/408801483.db2.gz CQUPYMZSIGFJHC-CQSZACIVSA-N 2 1 317.393 1.981 10 0 DDAEMP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178301222 408801485 /nfs/dbraw/zinc/80/14/85/408801485.db2.gz CQUPYMZSIGFJHC-CQSZACIVSA-N 2 1 317.393 1.981 10 0 DDAEMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178301222 408801489 /nfs/dbraw/zinc/80/14/89/408801489.db2.gz CQUPYMZSIGFJHC-CQSZACIVSA-N 2 1 317.393 1.981 10 0 DDAEMP CCN(CC)C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516108 163326062 /nfs/dbraw/zinc/32/60/62/163326062.db2.gz IRQDHAZXXAUQAY-HNNXBMFYSA-N 2 1 304.438 1.992 10 0 DDAEMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137255533 196570471 /nfs/dbraw/zinc/57/04/71/196570471.db2.gz RZQVTNFDVZMJSF-HOTGVXAUSA-N 2 1 305.466 1.757 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000194660466 418546906 /nfs/dbraw/zinc/54/69/06/418546906.db2.gz ACVUUHNZHAAYRZ-OAHLLOKOSA-N 2 1 319.449 1.841 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382699529 418732949 /nfs/dbraw/zinc/73/29/49/418732949.db2.gz LUCDOOMMHOWMAE-QAPCUYQASA-N 2 1 301.434 1.861 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@]1(C)CCC[NH2+]1 ZINC000382699529 418732950 /nfs/dbraw/zinc/73/29/50/418732950.db2.gz LUCDOOMMHOWMAE-QAPCUYQASA-N 2 1 301.434 1.861 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000389971583 418752123 /nfs/dbraw/zinc/75/21/23/418752123.db2.gz CGYOHVNLVDPWDQ-WTTBNOFXSA-N 2 1 301.434 1.479 10 0 DDAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648812 422532484 /nfs/dbraw/zinc/53/24/84/422532484.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@H]1CC[NH+](C)C1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648812 422532487 /nfs/dbraw/zinc/53/24/87/422532487.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@H]1CC[NH+](C)C1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648812 422532493 /nfs/dbraw/zinc/53/24/93/422532493.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 2 1 317.477 1.507 10 0 DDAEMP CN(c1cc[nH+]cc1Br)C1(C[NH3+])CCOCC1 ZINC000725002599 699329275 /nfs/dbraw/zinc/32/92/75/699329275.db2.gz WGRFVYGXCKDIJN-UHFFFAOYSA-N 2 1 300.200 1.788 10 0 DDAEMP C[N@@H+](CCC(F)(F)F)C[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000088417551 185249260 /nfs/dbraw/zinc/24/92/60/185249260.db2.gz VODKERRCIOVZQV-LBPRGKRZSA-N 2 1 306.328 1.769 10 0 DDAEMP [NH3+]CCCCC[N@H+]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832352 185266710 /nfs/dbraw/zinc/26/67/10/185266710.db2.gz KEDPLHIMLLIVSL-UHFFFAOYSA-N 2 1 309.376 1.992 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000175607513 354258448 /nfs/dbraw/zinc/25/84/48/354258448.db2.gz ROSCGAHCTDFEJK-JKSUJKDBSA-N 2 1 311.470 1.380 10 0 DDAEMP C[N@@H+]1CC[C@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000093382694 193240709 /nfs/dbraw/zinc/24/07/09/193240709.db2.gz MXMBEZOYRARQNQ-ZDUSSCGKSA-N 2 1 309.211 1.868 10 0 DDAEMP C[N@H+]1CC[C@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000093382694 193240711 /nfs/dbraw/zinc/24/07/11/193240711.db2.gz MXMBEZOYRARQNQ-ZDUSSCGKSA-N 2 1 309.211 1.868 10 0 DDAEMP C[N@H+](CC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093696914 193291625 /nfs/dbraw/zinc/29/16/25/193291625.db2.gz DCNTWBPJUKKGQZ-CQSZACIVSA-N 2 1 317.499 1.122 10 0 DDAEMP C[N@@H+](CC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093696914 193291626 /nfs/dbraw/zinc/29/16/26/193291626.db2.gz DCNTWBPJUKKGQZ-CQSZACIVSA-N 2 1 317.499 1.122 10 0 DDAEMP CCN(C(C)=O)c1nc(C[N@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000094024741 193339935 /nfs/dbraw/zinc/33/99/35/193339935.db2.gz SHTLMJDCXAQIHR-UHFFFAOYSA-N 2 1 310.467 1.947 10 0 DDAEMP CCN(C(C)=O)c1nc(C[N@@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000094024741 193339937 /nfs/dbraw/zinc/33/99/37/193339937.db2.gz SHTLMJDCXAQIHR-UHFFFAOYSA-N 2 1 310.467 1.947 10 0 DDAEMP CC[NH+](CC)CC[C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094642941 193388554 /nfs/dbraw/zinc/38/85/54/193388554.db2.gz ZUOFFZCUEVWHMO-ILXRZTDVSA-N 2 1 304.500 1.910 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000119878183 195054255 /nfs/dbraw/zinc/05/42/55/195054255.db2.gz VPSPFWUCLYOXTP-ZBFHGGJFSA-N 2 1 310.486 1.889 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000119878183 195054256 /nfs/dbraw/zinc/05/42/56/195054256.db2.gz VPSPFWUCLYOXTP-ZBFHGGJFSA-N 2 1 310.486 1.889 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000119878183 195054258 /nfs/dbraw/zinc/05/42/58/195054258.db2.gz VPSPFWUCLYOXTP-ZBFHGGJFSA-N 2 1 310.486 1.889 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)C1CCCC1 ZINC000177490416 285271046 /nfs/dbraw/zinc/27/10/46/285271046.db2.gz YAKZVVDFZFQUPJ-INIZCTEOSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000177490416 285271050 /nfs/dbraw/zinc/27/10/50/285271050.db2.gz YAKZVVDFZFQUPJ-INIZCTEOSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000177490416 285271055 /nfs/dbraw/zinc/27/10/55/285271055.db2.gz YAKZVVDFZFQUPJ-INIZCTEOSA-N 2 1 310.486 1.987 10 0 DDAEMP COCC[N@H+]1CCO[C@H]2C[NH+](Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000247831568 257116981 /nfs/dbraw/zinc/11/69/81/257116981.db2.gz HMGHOPJVAFQXEN-WMZOPIPTSA-N 2 1 322.424 1.995 10 0 DDAEMP COCC[NH+]1CCO[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000247831568 257116982 /nfs/dbraw/zinc/11/69/82/257116982.db2.gz HMGHOPJVAFQXEN-WMZOPIPTSA-N 2 1 322.424 1.995 10 0 DDAEMP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000247831568 257116984 /nfs/dbraw/zinc/11/69/84/257116984.db2.gz HMGHOPJVAFQXEN-WMZOPIPTSA-N 2 1 322.424 1.995 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185592772 407458483 /nfs/dbraw/zinc/45/84/83/407458483.db2.gz CEKCTIMALMOPIN-MRXNPFEDSA-N 2 1 310.486 1.842 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185592772 407458489 /nfs/dbraw/zinc/45/84/89/407458489.db2.gz CEKCTIMALMOPIN-MRXNPFEDSA-N 2 1 310.486 1.842 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185592772 407458494 /nfs/dbraw/zinc/45/84/94/407458494.db2.gz CEKCTIMALMOPIN-MRXNPFEDSA-N 2 1 310.486 1.842 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)C[NH+]1CCCCC1 ZINC000113599589 407518500 /nfs/dbraw/zinc/51/85/00/407518500.db2.gz VPCXBJCJMKFGOH-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261613222 407550621 /nfs/dbraw/zinc/55/06/21/407550621.db2.gz CBXVQVCGVYTJMY-ZIAGYGMSSA-N 2 1 307.442 1.615 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261613222 407550630 /nfs/dbraw/zinc/55/06/30/407550630.db2.gz CBXVQVCGVYTJMY-ZIAGYGMSSA-N 2 1 307.442 1.615 10 0 DDAEMP COCCN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261929649 407678815 /nfs/dbraw/zinc/67/88/15/407678815.db2.gz LKLAMDFBCBGLHV-XHSDSOJGSA-N 2 1 304.438 1.333 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130439665 407689364 /nfs/dbraw/zinc/68/93/64/407689364.db2.gz NCAKPWWWGUGQOJ-JKSUJKDBSA-N 2 1 310.486 1.700 10 0 DDAEMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCSC1 ZINC000261998414 407706763 /nfs/dbraw/zinc/70/67/63/407706763.db2.gz UGFASBVYTCBRJI-FPCVCCKLSA-N 2 1 313.511 1.170 10 0 DDAEMP [NH3+]Cc1nc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)no1 ZINC000262122898 407745631 /nfs/dbraw/zinc/74/56/31/407745631.db2.gz CGMIHQRJKARNCF-CQSZACIVSA-N 2 1 307.442 1.616 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262310099 407794662 /nfs/dbraw/zinc/79/46/62/407794662.db2.gz OYZCTIPEWGYHOI-RHSMWYFYSA-N 2 1 319.449 1.508 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000245416303 407970194 /nfs/dbraw/zinc/97/01/94/407970194.db2.gz FAYNUZNFBLZYTD-JYJNAYRXSA-N 2 1 311.470 1.164 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000245416303 407970197 /nfs/dbraw/zinc/97/01/97/407970197.db2.gz FAYNUZNFBLZYTD-JYJNAYRXSA-N 2 1 311.470 1.164 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246040457 408125345 /nfs/dbraw/zinc/12/53/45/408125345.db2.gz XVPDLMVTBGNMMS-FPCVCCKLSA-N 2 1 311.470 1.283 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000246457250 408259163 /nfs/dbraw/zinc/25/91/63/408259163.db2.gz PGMXSACJUJADNQ-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000246457250 408259171 /nfs/dbraw/zinc/25/91/71/408259171.db2.gz PGMXSACJUJADNQ-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000246457250 408259176 /nfs/dbraw/zinc/25/91/76/408259176.db2.gz PGMXSACJUJADNQ-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000247381417 408461804 /nfs/dbraw/zinc/46/18/04/408461804.db2.gz VXLVFUWLXZMODB-LPHOPBHVSA-N 2 1 320.477 1.615 10 0 DDAEMP CC(C)(CNC[C@@]1(O)CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000072476254 277302814 /nfs/dbraw/zinc/30/28/14/277302814.db2.gz LOCXKFXCXPOUTI-LJQANCHMSA-N 2 1 317.477 1.527 10 0 DDAEMP CC(C)(C[NH2+]C[C@@]1(O)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000072476254 277302815 /nfs/dbraw/zinc/30/28/15/277302815.db2.gz LOCXKFXCXPOUTI-LJQANCHMSA-N 2 1 317.477 1.527 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115801989 279122622 /nfs/dbraw/zinc/12/26/22/279122622.db2.gz BGYLZYVETSXXPB-JKSUJKDBSA-N 2 1 312.502 1.946 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247092916 279126632 /nfs/dbraw/zinc/12/66/32/279126632.db2.gz IEGYMPRGROUZGC-XHSDSOJGSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000177396919 279297623 /nfs/dbraw/zinc/29/76/23/279297623.db2.gz SNDPUXVAPOPIAV-MRXNPFEDSA-N 2 1 310.486 1.844 10 0 DDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000175742174 280322199 /nfs/dbraw/zinc/32/21/99/280322199.db2.gz HRIROBZTJPMMPP-CVEARBPZSA-N 2 1 309.454 1.086 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248756260 297097974 /nfs/dbraw/zinc/09/79/74/297097974.db2.gz VXMAFISELFZEFV-CVEARBPZSA-N 2 1 322.497 1.987 10 0 DDAEMP c1ccc(CN2CCO[C@H]3C[N@@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813146 484256487 /nfs/dbraw/zinc/25/64/87/484256487.db2.gz HTQBTSWKAGZOMF-QRVBRYPASA-N 2 1 315.461 1.571 10 0 DDAEMP c1ccc(CN2CCO[C@H]3C[N@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813146 484256493 /nfs/dbraw/zinc/25/64/93/484256493.db2.gz HTQBTSWKAGZOMF-QRVBRYPASA-N 2 1 315.461 1.571 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000263111962 484274682 /nfs/dbraw/zinc/27/46/82/484274682.db2.gz AIHINQBDPXWARJ-AAEUAGOBSA-N 2 1 304.312 1.298 10 0 DDAEMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261908022 698443988 /nfs/dbraw/zinc/44/39/88/698443988.db2.gz IQGZROPTJYAWFC-BRSBDYLESA-N 2 1 320.433 1.475 10 0 DDAEMP Cc1cc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000261949476 698447499 /nfs/dbraw/zinc/44/74/99/698447499.db2.gz WCZFAUVJZWKKBJ-HUUCEWRRSA-N 2 1 317.437 1.178 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000328677285 231302450 /nfs/dbraw/zinc/30/24/50/231302450.db2.gz AMZMPJJWNVWIDC-HNNXBMFYSA-N 2 1 312.421 1.893 10 0 DDAEMP CC[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CCC([NH3+])CC1 ZINC000091851044 193118264 /nfs/dbraw/zinc/11/82/64/193118264.db2.gz KQJMXSRULJYVKW-UHFFFAOYSA-N 2 1 306.435 1.848 10 0 DDAEMP CC(C)[N@@H+]1CCO[C@@H](COc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094346064 193363511 /nfs/dbraw/zinc/36/35/11/193363511.db2.gz VRSMRTYSUJKSFY-GFCCVEGCSA-N 2 1 300.349 1.912 10 0 DDAEMP CC(C)[N@H+]1CCO[C@@H](COc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094346064 193363513 /nfs/dbraw/zinc/36/35/13/193363513.db2.gz VRSMRTYSUJKSFY-GFCCVEGCSA-N 2 1 300.349 1.912 10 0 DDAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638874 193388083 /nfs/dbraw/zinc/38/80/83/193388083.db2.gz FDVRQEQWFJVXDD-WUCCLRPBSA-N 2 1 302.484 1.934 10 0 DDAEMP COCCC[N@@H+](CCOC)C[C@H]1[C@@H]([NH3+])C(C)(C)OC1(C)C ZINC000094428512 193368574 /nfs/dbraw/zinc/36/85/74/193368574.db2.gz KKYMRVPNCXGKFU-UONOGXRCSA-N 2 1 302.459 1.502 10 0 DDAEMP c1cc(CC[NH2+]CCN2CC[C@H]([NH+]3CCOCC3)C2)cs1 ZINC000062974917 184263379 /nfs/dbraw/zinc/26/33/79/184263379.db2.gz CLGATCBDPPYWPI-INIZCTEOSA-N 2 1 309.479 1.287 10 0 DDAEMP Cc1ccc(C[N@@H+]2C[C@H](C)[C@]3(CCN(CC[NH+](C)C)C3=O)C2)o1 ZINC000247985377 257113023 /nfs/dbraw/zinc/11/30/23/257113023.db2.gz KMWUXLOEVTWSOW-KSSFIOAISA-N 2 1 319.449 1.820 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638300088 422814348 /nfs/dbraw/zinc/81/43/48/422814348.db2.gz DWANXQPWLITJHA-YOEHRIQHSA-N 2 1 305.422 1.002 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000054760908 407189059 /nfs/dbraw/zinc/18/90/59/407189059.db2.gz OFFIXERTCBJQFH-QGZVFWFLSA-N 2 1 318.465 1.902 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000054760908 407189061 /nfs/dbraw/zinc/18/90/61/407189061.db2.gz OFFIXERTCBJQFH-QGZVFWFLSA-N 2 1 318.465 1.902 10 0 DDAEMP CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000054760908 407189063 /nfs/dbraw/zinc/18/90/63/407189063.db2.gz OFFIXERTCBJQFH-QGZVFWFLSA-N 2 1 318.465 1.902 10 0 DDAEMP C[N@H+](Cc1cnc(N)s1)C1CCN(CCn2cccn2)CC1 ZINC000261688474 407580986 /nfs/dbraw/zinc/58/09/86/407580986.db2.gz ASAPDHLMSNBBIR-UHFFFAOYSA-N 2 1 320.466 1.518 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000113595170 407517797 /nfs/dbraw/zinc/51/77/97/407517797.db2.gz ONOKGSJLONIIFI-IJEWVQPXSA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000113595170 407517806 /nfs/dbraw/zinc/51/78/06/407517806.db2.gz ONOKGSJLONIIFI-IJEWVQPXSA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000113595170 407517814 /nfs/dbraw/zinc/51/78/14/407517814.db2.gz ONOKGSJLONIIFI-IJEWVQPXSA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797180 407618607 /nfs/dbraw/zinc/61/86/07/407618607.db2.gz IPSZVMWYPOYWFO-HOCLYGCPSA-N 2 1 317.433 1.446 10 0 DDAEMP CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000261866730 407648324 /nfs/dbraw/zinc/64/83/24/407648324.db2.gz WWHWYQOZSZBKAJ-HNNXBMFYSA-N 2 1 321.469 1.699 10 0 DDAEMP C[NH+](C)CC1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000178976649 407680556 /nfs/dbraw/zinc/68/05/56/407680556.db2.gz ZCRZIXQAABMONL-GPANFISMSA-N 2 1 308.470 1.596 10 0 DDAEMP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262210551 407766422 /nfs/dbraw/zinc/76/64/22/407766422.db2.gz DXFZWFQOFOUGSW-CJNGLKHVSA-N 2 1 305.422 1.831 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245475545 407996592 /nfs/dbraw/zinc/99/65/92/407996592.db2.gz SASITTAXUWHWAZ-JKSUJKDBSA-N 2 1 310.486 1.844 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000246422731 408253375 /nfs/dbraw/zinc/25/33/75/408253375.db2.gz MARIJKSFXHDGFP-IRXDYDNUSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H](CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182653646 408215398 /nfs/dbraw/zinc/21/53/98/408215398.db2.gz QYOASFMBPWEAIB-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151296957 408292474 /nfs/dbraw/zinc/29/24/74/408292474.db2.gz HZBGLDSHSSCXRN-ROUUACIJSA-N 2 1 306.450 1.681 10 0 DDAEMP C[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000171867210 274194277 /nfs/dbraw/zinc/19/42/77/274194277.db2.gz FWVXOOLNNODDAY-MAUKXSAKSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000171867210 274194282 /nfs/dbraw/zinc/19/42/82/274194282.db2.gz FWVXOOLNNODDAY-MAUKXSAKSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000171867210 274194285 /nfs/dbraw/zinc/19/42/85/274194285.db2.gz FWVXOOLNNODDAY-MAUKXSAKSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000171867210 274194287 /nfs/dbraw/zinc/19/42/87/274194287.db2.gz FWVXOOLNNODDAY-MAUKXSAKSA-N 2 1 313.445 1.740 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)NC1CCCCC1 ZINC000261873253 279751996 /nfs/dbraw/zinc/75/19/96/279751996.db2.gz DJKAMDHXRQZLCD-BRWVUGGUSA-N 2 1 323.481 1.572 10 0 DDAEMP C[C@H](C(=O)Nc1nc2c(s1)C[NH2+]CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000221341128 289384635 /nfs/dbraw/zinc/38/46/35/289384635.db2.gz YMYOCFWPWBUJLM-OUAUKWLOSA-N 2 1 308.451 1.989 10 0 DDAEMP C[C@H](C(=O)Nc1nc2c(s1)C[NH2+]CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000221341128 289384638 /nfs/dbraw/zinc/38/46/38/289384638.db2.gz YMYOCFWPWBUJLM-OUAUKWLOSA-N 2 1 308.451 1.989 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000309716517 484379246 /nfs/dbraw/zinc/37/92/46/484379246.db2.gz KYOGCHKQVFMYPS-OIISXLGYSA-N 2 1 303.450 1.998 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000174231927 535449317 /nfs/dbraw/zinc/44/93/17/535449317.db2.gz YGPTZRJUNGANEP-INIZCTEOSA-N 2 1 310.486 1.892 10 0 DDAEMP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108319 699325075 /nfs/dbraw/zinc/32/50/75/699325075.db2.gz IQUWTFAHOFYGES-NXEZZACHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108319 699325079 /nfs/dbraw/zinc/32/50/79/699325079.db2.gz IQUWTFAHOFYGES-NXEZZACHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108319 699325081 /nfs/dbraw/zinc/32/50/81/699325081.db2.gz IQUWTFAHOFYGES-NXEZZACHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108319 699325085 /nfs/dbraw/zinc/32/50/85/699325085.db2.gz IQUWTFAHOFYGES-NXEZZACHSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH2+][C@H]1COC[C@H]1C[NH2+]Cc1sccc1Br ZINC000087575910 185228579 /nfs/dbraw/zinc/22/85/79/185228579.db2.gz PQHJDNXWGLIHDK-SCZZXKLOSA-N 2 1 305.241 1.835 10 0 DDAEMP CCN1CC[NH+](CCCN2Cc3c(cccc3C)[C@H]2C[NH3+])CC1 ZINC000071683062 191007641 /nfs/dbraw/zinc/00/76/41/191007641.db2.gz QYUBOAZPYMRYMS-LJQANCHMSA-N 2 1 316.493 1.838 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@@H]1[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021521 193339026 /nfs/dbraw/zinc/33/90/26/193339026.db2.gz VKHIHGJWQXJFIJ-LSDHHAIUSA-N 2 1 300.468 1.416 10 0 DDAEMP CC[N@H+](CC(=O)Nc1cccnc1Cl)CC1CC[NH2+]CC1 ZINC000094025175 193340266 /nfs/dbraw/zinc/34/02/66/193340266.db2.gz KFEUNIKEUHBNCY-UHFFFAOYSA-N 2 1 310.829 1.995 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000195337895 407451989 /nfs/dbraw/zinc/45/19/89/407451989.db2.gz KBHXKSICQHTYST-VQHPVUNQSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000195337895 407451996 /nfs/dbraw/zinc/45/19/96/407451996.db2.gz KBHXKSICQHTYST-VQHPVUNQSA-N 2 1 323.481 1.427 10 0 DDAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261622569 407556561 /nfs/dbraw/zinc/55/65/61/407556561.db2.gz CJKSOXQNRPCYIW-AFIMGQEJSA-N 2 1 321.465 1.216 10 0 DDAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000261622569 407556564 /nfs/dbraw/zinc/55/65/64/407556564.db2.gz CJKSOXQNRPCYIW-AFIMGQEJSA-N 2 1 321.465 1.216 10 0 DDAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000261622572 407557277 /nfs/dbraw/zinc/55/72/77/407557277.db2.gz CJKSOXQNRPCYIW-BASYENTBSA-N 2 1 321.465 1.216 10 0 DDAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000261622572 407557282 /nfs/dbraw/zinc/55/72/82/407557282.db2.gz CJKSOXQNRPCYIW-BASYENTBSA-N 2 1 321.465 1.216 10 0 DDAEMP Cc1ccc(NCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)[nH+]c1 ZINC000170830292 407520171 /nfs/dbraw/zinc/52/01/71/407520171.db2.gz LEBWTQMPEJHOPC-AWEZNQCLSA-N 2 1 305.426 1.538 10 0 DDAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000261861029 407645393 /nfs/dbraw/zinc/64/53/93/407645393.db2.gz CCFXFXRBXUYYNM-BZUAXINKSA-N 2 1 320.433 1.951 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1Oc1cccnc1 ZINC000263262166 408082508 /nfs/dbraw/zinc/08/25/08/408082508.db2.gz RBRQPQPIZPVTAK-RDJZCZTQSA-N 2 1 313.401 1.852 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000246829733 408350033 /nfs/dbraw/zinc/35/00/33/408350033.db2.gz KXBGPMDXOZAWNH-SUJAAXHWSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000246829733 408350040 /nfs/dbraw/zinc/35/00/40/408350040.db2.gz KXBGPMDXOZAWNH-SUJAAXHWSA-N 2 1 311.470 1.161 10 0 DDAEMP Cc1nn(C)c(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171589374 162228524 /nfs/dbraw/zinc/22/85/24/162228524.db2.gz GQLNENZJEBVUQZ-CYBMUJFWSA-N 2 1 308.470 1.562 10 0 DDAEMP O=C(NCc1ccn2ccnc2c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177787403 408714015 /nfs/dbraw/zinc/71/40/15/408714015.db2.gz ILDCWZINOCVUBN-OAHLLOKOSA-N 2 1 313.405 1.714 10 0 DDAEMP O=C(NCc1ccn2ccnc2c1)N1CCN2CCCC[C@@H]2C1 ZINC000177787403 408714021 /nfs/dbraw/zinc/71/40/21/408714021.db2.gz ILDCWZINOCVUBN-OAHLLOKOSA-N 2 1 313.405 1.714 10 0 DDAEMP CC(C)c1nc2n(n1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000192984326 163244463 /nfs/dbraw/zinc/24/44/63/163244463.db2.gz MBWNMHYQULRDOX-FFHGMXDLSA-N 2 1 303.454 1.931 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000263111968 163917011 /nfs/dbraw/zinc/91/70/11/163917011.db2.gz AIHINQBDPXWARJ-WCQYABFASA-N 2 1 304.312 1.298 10 0 DDAEMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638108493 422670051 /nfs/dbraw/zinc/67/00/51/422670051.db2.gz NOXBHJRYTRQIAX-BHYGNILZSA-N 2 1 317.433 1.226 10 0 DDAEMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113586717 277384582 /nfs/dbraw/zinc/38/45/82/277384582.db2.gz KPTFYVDIWJFMCC-DOTOQJQBSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247390633 279129426 /nfs/dbraw/zinc/12/94/26/279129426.db2.gz QKOISHHFLSRLTC-XHSDSOJGSA-N 2 1 312.502 1.991 10 0 DDAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OCC(C)C ZINC000262198048 484264867 /nfs/dbraw/zinc/26/48/67/484264867.db2.gz ZRIOYNBXVZXYQX-LSDHHAIUSA-N 2 1 308.422 1.400 10 0 DDAEMP [NH3+]C1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000422979939 534559271 /nfs/dbraw/zinc/55/92/71/534559271.db2.gz NXWQUFRFNBCXBK-ABHNRTSZSA-N 3 1 303.450 1.483 10 0 DDAEMP [NH3+]C1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000422979939 534559277 /nfs/dbraw/zinc/55/92/77/534559277.db2.gz NXWQUFRFNBCXBK-ABHNRTSZSA-N 3 1 303.450 1.483 10 0 DDAEMP O=c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH]1 ZINC000073696185 527479485 /nfs/dbraw/zinc/47/94/85/527479485.db2.gz GOSKLIWAAMCTGY-GFCCVEGCSA-N 2 1 316.380 1.665 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192003432 697618281 /nfs/dbraw/zinc/61/82/81/697618281.db2.gz NDKYQKQEOKZLSS-ZBFHGGJFSA-N 2 1 324.465 1.497 10 0 DDAEMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)ncc1Br ZINC000321234536 698726077 /nfs/dbraw/zinc/72/60/77/698726077.db2.gz VZJPSAXGZJFRER-UHFFFAOYSA-N 2 1 313.243 1.988 10 0 DDAEMP C[C@@]1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)COC[C@H]1[NH3+] ZINC000090606419 185306384 /nfs/dbraw/zinc/30/63/84/185306384.db2.gz DLVMOIVLQQJJPF-HZPDHXFCSA-N 2 1 309.841 1.826 10 0 DDAEMP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000237601958 202299173 /nfs/dbraw/zinc/29/91/73/202299173.db2.gz JTPAVKWAUVILBN-YOEHRIQHSA-N 2 1 317.433 1.398 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000094441221 193369408 /nfs/dbraw/zinc/36/94/08/193369408.db2.gz CKBHHIXCIXMSIZ-QLFBSQMISA-N 2 1 315.483 1.017 10 0 DDAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000094441221 193369410 /nfs/dbraw/zinc/36/94/10/193369410.db2.gz CKBHHIXCIXMSIZ-QLFBSQMISA-N 2 1 315.483 1.017 10 0 DDAEMP CC1(C)CCSC[C@]1(C[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000094484318 193372770 /nfs/dbraw/zinc/37/27/70/193372770.db2.gz XVABRDJQQBWOPY-HOCLYGCPSA-N 2 1 313.511 1.254 10 0 DDAEMP CC1(C)CCSC[C@]1(C[NH3+])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000094484318 193372772 /nfs/dbraw/zinc/37/27/72/193372772.db2.gz XVABRDJQQBWOPY-HOCLYGCPSA-N 2 1 313.511 1.254 10 0 DDAEMP CCC(CC)[N@@H+](CCOC)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000042616039 183291292 /nfs/dbraw/zinc/29/12/92/183291292.db2.gz LZOLBHVRCXVQBB-GJZGRUSLSA-N 2 1 300.443 1.746 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105016114 194064852 /nfs/dbraw/zinc/06/48/52/194064852.db2.gz SSKHRBNOPVUGRG-JKSUJKDBSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936254 296312445 /nfs/dbraw/zinc/31/24/45/296312445.db2.gz WVVDGQDKFSQGDR-CVEARBPZSA-N 2 1 323.481 1.607 10 0 DDAEMP CC(C)[NH2+][C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145510 194395350 /nfs/dbraw/zinc/39/53/50/194395350.db2.gz IYRPJOFXRKZYQF-INIZCTEOSA-N 2 1 301.475 1.882 10 0 DDAEMP CN(Cc1csc(Br)c1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990585 184199933 /nfs/dbraw/zinc/19/99/33/184199933.db2.gz GBUBVITVYIFBGM-GFCCVEGCSA-N 2 1 318.284 1.975 10 0 DDAEMP COCC[NH+]1CCC(CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000032587110 406950382 /nfs/dbraw/zinc/95/03/82/406950382.db2.gz HGHFFMPLLCAVDA-UHFFFAOYSA-N 2 1 309.498 1.905 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CCCCC1 ZINC000261936068 407678256 /nfs/dbraw/zinc/67/82/56/407678256.db2.gz MFVQCKXLYAFHLG-ARFHVFGLSA-N 2 1 309.454 1.136 10 0 DDAEMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)O2 ZINC000261960138 407691214 /nfs/dbraw/zinc/69/12/14/407691214.db2.gz PNBRHHUDHPVLBU-ZJIFWQFVSA-N 2 1 318.417 1.573 10 0 DDAEMP CCn1c(C)nnc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171589368 407712015 /nfs/dbraw/zinc/71/20/15/407712015.db2.gz OGCPCHNNWIXMIY-ZDUSSCGKSA-N 2 1 309.458 1.131 10 0 DDAEMP CCn1c(C)nnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171589368 407712021 /nfs/dbraw/zinc/71/20/21/407712021.db2.gz OGCPCHNNWIXMIY-ZDUSSCGKSA-N 2 1 309.458 1.131 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000263192659 408054130 /nfs/dbraw/zinc/05/41/30/408054130.db2.gz ICLCVFDAQXGOJC-MWLCHTKSSA-N 2 1 306.740 1.611 10 0 DDAEMP Cc1ccc2ncc(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)n2c1 ZINC000245717192 408053156 /nfs/dbraw/zinc/05/31/56/408053156.db2.gz HEOUNNCSMVNLTE-GJZGRUSLSA-N 2 1 302.422 1.530 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000263209041 408059747 /nfs/dbraw/zinc/05/97/47/408059747.db2.gz KAZJXUUPNNCSRL-DOMZBBRYSA-N 2 1 306.797 1.196 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281678 408090109 /nfs/dbraw/zinc/09/01/09/408090109.db2.gz UIUPOIFYTWXXOT-YGPBLSMFSA-N 2 1 315.461 1.352 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000150855320 408213036 /nfs/dbraw/zinc/21/30/36/408213036.db2.gz ZKSKVXBKVAEVOC-SYMSYNOKSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000150855320 408213042 /nfs/dbraw/zinc/21/30/42/408213042.db2.gz ZKSKVXBKVAEVOC-SYMSYNOKSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000150855320 408213046 /nfs/dbraw/zinc/21/30/46/408213046.db2.gz ZKSKVXBKVAEVOC-SYMSYNOKSA-N 2 1 310.486 1.743 10 0 DDAEMP CC[C@H]1CN(Cc2nccc(OC)c2OC)CC[N@H+]1CCOC ZINC000190523889 408268454 /nfs/dbraw/zinc/26/84/54/408268454.db2.gz GLIWLZZUWWKDSL-AWEZNQCLSA-N 2 1 323.437 1.641 10 0 DDAEMP O=C(NCCC[NH+]1CCCCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171596011 162228568 /nfs/dbraw/zinc/22/85/68/162228568.db2.gz SUVKWJSBNVVDKE-MRXNPFEDSA-N 2 1 308.470 1.742 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000173508291 162343679 /nfs/dbraw/zinc/34/36/79/162343679.db2.gz HHQFMUPLDVBYLP-MRXNPFEDSA-N 2 1 308.470 1.598 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174195486 162399133 /nfs/dbraw/zinc/39/91/33/162399133.db2.gz FCYVTGKZPBXYSQ-HZPDHXFCSA-N 2 1 308.470 1.598 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247237800 163554647 /nfs/dbraw/zinc/55/46/47/163554647.db2.gz MXRDMKKCKFJSLR-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638835623 423149558 /nfs/dbraw/zinc/14/95/58/423149558.db2.gz NASLVVLDNBLIHQ-MXSMSXNCSA-N 2 1 315.461 1.726 10 0 DDAEMP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000261748976 288133997 /nfs/dbraw/zinc/13/39/97/288133997.db2.gz MMPCCBQWYQSYHJ-IIAWOOMASA-N 2 1 309.454 1.073 10 0 DDAEMP C[NH+](C)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391025914 307294101 /nfs/dbraw/zinc/29/41/01/307294101.db2.gz SCJZEKOUDIETFA-IPQPSQTFSA-N 2 1 317.477 1.694 10 0 DDAEMP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309773561 484378992 /nfs/dbraw/zinc/37/89/92/484378992.db2.gz IHRPPAAIFTYJJH-WJFTUGDTSA-N 2 1 318.461 1.884 10 0 DDAEMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223763059 490700365 /nfs/dbraw/zinc/70/03/65/490700365.db2.gz HGELXBSKOXPFHW-DGCLKSJQSA-N 2 1 305.344 1.225 10 0 DDAEMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223763059 490700369 /nfs/dbraw/zinc/70/03/69/490700369.db2.gz HGELXBSKOXPFHW-DGCLKSJQSA-N 2 1 305.344 1.225 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192003421 697618083 /nfs/dbraw/zinc/61/80/83/697618083.db2.gz NDKYQKQEOKZLSS-HOCLYGCPSA-N 2 1 324.465 1.497 10 0 DDAEMP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554191 698427359 /nfs/dbraw/zinc/42/73/59/698427359.db2.gz UAXUXBAJMMZESG-BRWVUGGUSA-N 2 1 301.434 1.847 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261874505 698442538 /nfs/dbraw/zinc/44/25/38/698442538.db2.gz DLSOIRMAXGJGQG-VVLHAWIVSA-N 2 1 308.397 1.606 10 0 DDAEMP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000261905466 698444401 /nfs/dbraw/zinc/44/44/01/698444401.db2.gz VQBVMTPDNBUXLC-TZMCWYRMSA-N 2 1 318.421 1.060 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@@H]1C(C)C ZINC000888097160 709212595 /nfs/dbraw/zinc/21/25/95/709212595.db2.gz CQAQUUQKQVVAQC-MXASKKJJSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@@H]1C(C)C ZINC000888097160 709212596 /nfs/dbraw/zinc/21/25/96/709212596.db2.gz CQAQUUQKQVVAQC-MXASKKJJSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@@H]1C(C)C ZINC000888097160 709212597 /nfs/dbraw/zinc/21/25/97/709212597.db2.gz CQAQUUQKQVVAQC-MXASKKJJSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000249749610 282193777 /nfs/dbraw/zinc/19/37/77/282193777.db2.gz ADHKINMOWAZGNS-PMPSAXMXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249749610 282193781 /nfs/dbraw/zinc/19/37/81/282193781.db2.gz ADHKINMOWAZGNS-PMPSAXMXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249749610 282193786 /nfs/dbraw/zinc/19/37/86/282193786.db2.gz ADHKINMOWAZGNS-PMPSAXMXSA-N 2 1 310.486 1.890 10 0 DDAEMP Cc1oc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c1C[NH3+] ZINC000092678618 185333530 /nfs/dbraw/zinc/33/35/30/185333530.db2.gz LHSQMMWBXLAUSL-GFCCVEGCSA-N 2 1 315.439 1.070 10 0 DDAEMP C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182948526 299125576 /nfs/dbraw/zinc/12/55/76/299125576.db2.gz GZAUMKLXOUROHK-UXLLHSPISA-N 2 1 322.497 1.985 10 0 DDAEMP Cc1cc[nH+]c(N)c1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077720 539562956 /nfs/dbraw/zinc/56/29/56/539562956.db2.gz HPQUDNUFJHAVRK-LBPRGKRZSA-N 2 1 304.394 1.934 10 0 DDAEMP [NH3+]C[C@H]1c2cc(Cl)ccc2CN1CCC[NH+]1CCOCC1 ZINC000071683209 191007765 /nfs/dbraw/zinc/00/77/65/191007765.db2.gz WPFUQYUMIGMKTA-INIZCTEOSA-N 2 1 309.841 1.878 10 0 DDAEMP CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1CO ZINC000091416411 193052959 /nfs/dbraw/zinc/05/29/59/193052959.db2.gz QCGCUKZKIPRIFX-HUUCEWRRSA-N 2 1 311.495 1.282 10 0 DDAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@@H]1CC[N@H+](C)CCCOC ZINC000093593669 193271401 /nfs/dbraw/zinc/27/14/01/193271401.db2.gz AILADKQYFKGUHL-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@@H]1CC[N@@H+](C)CCCOC ZINC000093593669 193271403 /nfs/dbraw/zinc/27/14/03/193271403.db2.gz AILADKQYFKGUHL-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CCC(C)(C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862354 194149880 /nfs/dbraw/zinc/14/98/80/194149880.db2.gz YSWTWGADQLMMJN-AWEZNQCLSA-N 2 1 313.486 1.316 10 0 DDAEMP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000062010784 184201381 /nfs/dbraw/zinc/20/13/81/184201381.db2.gz JWUYKBSOBKWMQQ-LBPRGKRZSA-N 2 1 311.451 1.340 10 0 DDAEMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261847016 407642036 /nfs/dbraw/zinc/64/20/36/407642036.db2.gz AYDJPGKHTRTFOL-KZNAEPCWSA-N 2 1 303.450 1.999 10 0 DDAEMP COc1ccc([C@@H](C)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063769 407729814 /nfs/dbraw/zinc/72/98/14/407729814.db2.gz AOWLUYLOTVALOX-RDJZCZTQSA-N 2 1 303.450 1.778 10 0 DDAEMP CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[NH2+]CC1 ZINC000262000880 407708511 /nfs/dbraw/zinc/70/85/11/407708511.db2.gz UBNIHAFSZXCFKR-AWEZNQCLSA-N 2 1 315.417 1.747 10 0 DDAEMP CC[N@@H+](C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116784977 407777764 /nfs/dbraw/zinc/77/77/64/407777764.db2.gz DYXITTRSCWGIEQ-IAGOWNOFSA-N 2 1 319.449 1.468 10 0 DDAEMP CCCn1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000179516542 407798159 /nfs/dbraw/zinc/79/81/59/407798159.db2.gz MGWJIGXULVHHNW-OAHLLOKOSA-N 2 1 308.470 1.818 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262583814 407874021 /nfs/dbraw/zinc/87/40/21/407874021.db2.gz ZLAXQVLLVQUJAP-XLNGHYISSA-N 2 1 301.434 1.875 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262583814 407874025 /nfs/dbraw/zinc/87/40/25/407874025.db2.gz ZLAXQVLLVQUJAP-XLNGHYISSA-N 2 1 301.434 1.875 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262489572 407847480 /nfs/dbraw/zinc/84/74/80/407847480.db2.gz KVIIBQMUNOYFAW-GVDBMIGSSA-N 2 1 301.434 1.623 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262489572 407847485 /nfs/dbraw/zinc/84/74/85/407847485.db2.gz KVIIBQMUNOYFAW-GVDBMIGSSA-N 2 1 301.434 1.623 10 0 DDAEMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263203968 408056744 /nfs/dbraw/zinc/05/67/44/408056744.db2.gz JLLFCIAMRNGYDT-IAGOWNOFSA-N 2 1 313.401 1.427 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000246390349 408240707 /nfs/dbraw/zinc/24/07/07/408240707.db2.gz IPNKXAOUJLPGIO-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246390349 408240712 /nfs/dbraw/zinc/24/07/12/408240712.db2.gz IPNKXAOUJLPGIO-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246390349 408240718 /nfs/dbraw/zinc/24/07/18/408240718.db2.gz IPNKXAOUJLPGIO-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000246795058 408342942 /nfs/dbraw/zinc/34/29/42/408342942.db2.gz BPYDKJSXJXEFTK-YOEHRIQHSA-N 2 1 320.481 1.739 10 0 DDAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247601509 408498181 /nfs/dbraw/zinc/49/81/81/408498181.db2.gz UPNSEGHHPYUVAM-YVSFHVDLSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247601509 408498186 /nfs/dbraw/zinc/49/81/86/408498186.db2.gz UPNSEGHHPYUVAM-YVSFHVDLSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247601509 408498188 /nfs/dbraw/zinc/49/81/88/408498188.db2.gz UPNSEGHHPYUVAM-YVSFHVDLSA-N 2 1 322.497 1.842 10 0 DDAEMP Cc1cc[nH+]c(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262126008 163772625 /nfs/dbraw/zinc/77/26/25/163772625.db2.gz LAQKTQKCLPSLNF-CABCVRRESA-N 2 1 302.422 1.475 10 0 DDAEMP C[C@]1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000390736061 418755388 /nfs/dbraw/zinc/75/53/88/418755388.db2.gz IHEBVAJXOMWRNG-SJLPKXTDSA-N 2 1 301.434 1.909 10 0 DDAEMP CC1(C)CC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000171897215 278189910 /nfs/dbraw/zinc/18/99/10/278189910.db2.gz QBPNTENTTMLRJV-AWEZNQCLSA-N 2 1 308.470 1.785 10 0 DDAEMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000132360610 279150713 /nfs/dbraw/zinc/15/07/13/279150713.db2.gz BSWIOMZVOPTQJZ-XHSDSOJGSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400332615 302368711 /nfs/dbraw/zinc/36/87/11/302368711.db2.gz FCXBFXGFOWGKEY-PKOBYXMFSA-N 2 1 316.493 1.392 10 0 DDAEMP c1ccc(CN2CCO[C@H]3C[N@@H+](C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813141 484256452 /nfs/dbraw/zinc/25/64/52/484256452.db2.gz HTQBTSWKAGZOMF-OTWHNJEPSA-N 2 1 315.461 1.571 10 0 DDAEMP c1ccc(CN2CCO[C@H]3C[N@H+](C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813141 484256455 /nfs/dbraw/zinc/25/64/55/484256455.db2.gz HTQBTSWKAGZOMF-OTWHNJEPSA-N 2 1 315.461 1.571 10 0 DDAEMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263116548 484274270 /nfs/dbraw/zinc/27/42/70/484274270.db2.gz APMFYWOJMCHFFW-SJLPKXTDSA-N 2 1 314.433 1.218 10 0 DDAEMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262006908 698450297 /nfs/dbraw/zinc/45/02/97/698450297.db2.gz VDPCEHRTSSOAMQ-XWTMOSNGSA-N 2 1 304.434 1.775 10 0 DDAEMP CC[NH2+][C@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435566 185250256 /nfs/dbraw/zinc/25/02/56/185250256.db2.gz PKZUVJKYJHJSLZ-ZWNOBZJWSA-N 2 1 309.376 1.893 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000092626705 185329735 /nfs/dbraw/zinc/32/97/35/185329735.db2.gz CCANWTJPIBLHBL-AWEZNQCLSA-N 2 1 311.451 1.250 10 0 DDAEMP COc1cccc2c1CN(CCC[NH+]1CCOCC1)[C@@H]2C[NH3+] ZINC000071683152 191006654 /nfs/dbraw/zinc/00/66/54/191006654.db2.gz KZTGQZOXNOQRBC-MRXNPFEDSA-N 2 1 305.422 1.233 10 0 DDAEMP C[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237451023 186291306 /nfs/dbraw/zinc/29/13/06/186291306.db2.gz ZSRCVQXSRAWZFJ-UNEWFSDZSA-N 2 1 301.434 1.677 10 0 DDAEMP C[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000237451023 186291308 /nfs/dbraw/zinc/29/13/08/186291308.db2.gz ZSRCVQXSRAWZFJ-UNEWFSDZSA-N 2 1 301.434 1.677 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3CCOCC3)C2)n1 ZINC000173779730 198250622 /nfs/dbraw/zinc/25/06/22/198250622.db2.gz DHLHIMPMEVNBNP-QGZVFWFLSA-N 2 1 318.465 1.846 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCN3CCOCC3)C2)[nH+]1 ZINC000173779730 198250624 /nfs/dbraw/zinc/25/06/24/198250624.db2.gz DHLHIMPMEVNBNP-QGZVFWFLSA-N 2 1 318.465 1.846 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3CCOCC3)C2)[nH+]1 ZINC000173779730 198250626 /nfs/dbraw/zinc/25/06/26/198250626.db2.gz DHLHIMPMEVNBNP-QGZVFWFLSA-N 2 1 318.465 1.846 10 0 DDAEMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000494952961 235107416 /nfs/dbraw/zinc/10/74/16/235107416.db2.gz NEIBRSKUAWLRJU-RUXDESIVSA-N 2 1 315.458 1.334 10 0 DDAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638861 193388234 /nfs/dbraw/zinc/38/82/34/193388234.db2.gz RNYKAFKFSVQHCW-YIYPIFLZSA-N 2 1 300.468 1.272 10 0 DDAEMP CC[C@H]([NH3+])[C@H](c1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000043051514 183332591 /nfs/dbraw/zinc/33/25/91/183332591.db2.gz XMVUWZXYSUMISB-HOTGVXAUSA-N 2 1 311.857 1.728 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000105167584 194080357 /nfs/dbraw/zinc/08/03/57/194080357.db2.gz MARIJKSFXHDGFP-IAGOWNOFSA-N 2 1 322.497 1.988 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105215454 194084466 /nfs/dbraw/zinc/08/44/66/194084466.db2.gz KAAJNIUHEBVMPQ-KRWDZBQOSA-N 2 1 322.497 1.988 10 0 DDAEMP CCNc1cc[nH+]c(N2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000065435970 407243261 /nfs/dbraw/zinc/24/32/61/407243261.db2.gz QFMQAGADASQTQS-UHFFFAOYSA-N 2 1 305.426 1.336 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000123146844 407320841 /nfs/dbraw/zinc/32/08/41/407320841.db2.gz JKQDIWQDUUBFCL-YCPHGPKFSA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000123146844 407320843 /nfs/dbraw/zinc/32/08/43/407320843.db2.gz JKQDIWQDUUBFCL-YCPHGPKFSA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000123146844 407320845 /nfs/dbraw/zinc/32/08/45/407320845.db2.gz JKQDIWQDUUBFCL-YCPHGPKFSA-N 2 1 308.470 1.499 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000106915863 407366602 /nfs/dbraw/zinc/36/66/02/407366602.db2.gz JGGPERMFTSVPEQ-MSOLQXFVSA-N 2 1 315.461 1.856 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4C3)C[C@H]12 ZINC000261714784 407589566 /nfs/dbraw/zinc/58/95/66/407589566.db2.gz PNBDQXUFXSRPHR-KWCYVHTRSA-N 2 1 305.447 1.302 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4C3)C[C@H]12 ZINC000261714784 407589567 /nfs/dbraw/zinc/58/95/67/407589567.db2.gz PNBDQXUFXSRPHR-KWCYVHTRSA-N 2 1 305.447 1.302 10 0 DDAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785417 407613792 /nfs/dbraw/zinc/61/37/92/407613792.db2.gz PSISNEQLEFCVAE-ABFRBSLYSA-N 2 1 303.450 1.964 10 0 DDAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785417 407613796 /nfs/dbraw/zinc/61/37/96/407613796.db2.gz PSISNEQLEFCVAE-ABFRBSLYSA-N 2 1 303.450 1.964 10 0 DDAEMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859070 407644155 /nfs/dbraw/zinc/64/41/55/407644155.db2.gz BYLIHXDPXGTPGZ-KURKYZTESA-N 2 1 309.498 1.998 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CCCCCC1 ZINC000261867157 407647461 /nfs/dbraw/zinc/64/74/61/407647461.db2.gz CRRBXKGRRUFMHB-BBWFWOEESA-N 2 1 323.481 1.526 10 0 DDAEMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261914386 407668548 /nfs/dbraw/zinc/66/85/48/407668548.db2.gz JMHMSXOQTZWNKH-OTWHNJEPSA-N 3 1 317.477 1.995 10 0 DDAEMP CCc1ccc([C@H]2C[NH2+]CCN2Cc2noc(C[NH3+])n2)cc1 ZINC000262271100 407782651 /nfs/dbraw/zinc/78/26/51/407782651.db2.gz SMARMFUTKJGTLZ-CQSZACIVSA-N 2 1 301.394 1.237 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000171900894 407790222 /nfs/dbraw/zinc/79/02/22/407790222.db2.gz MJCPLBRZDDMRRF-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000171900894 407790229 /nfs/dbraw/zinc/79/02/29/407790229.db2.gz MJCPLBRZDDMRRF-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000171900894 407790232 /nfs/dbraw/zinc/79/02/32/407790232.db2.gz MJCPLBRZDDMRRF-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000262299376 407787773 /nfs/dbraw/zinc/78/77/73/407787773.db2.gz NSEGGLZIBBTYOB-CZUORRHYSA-N 2 1 321.421 1.319 10 0 DDAEMP CCC[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1)[NH+](C)C ZINC000153683738 407878785 /nfs/dbraw/zinc/87/87/85/407878785.db2.gz AGYLHINKBKLTBI-HZPDHXFCSA-N 2 1 313.486 1.676 10 0 DDAEMP CCC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1)[NH+](C)C ZINC000153683738 407878790 /nfs/dbraw/zinc/87/87/90/407878790.db2.gz AGYLHINKBKLTBI-HZPDHXFCSA-N 2 1 313.486 1.676 10 0 DDAEMP CN(CC[N@@H+](C)C[C@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000119312307 408037437 /nfs/dbraw/zinc/03/74/37/408037437.db2.gz KWILAZNAHXSLTD-IBGZPJMESA-N 2 1 319.493 1.852 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000263268769 408084019 /nfs/dbraw/zinc/08/40/19/408084019.db2.gz RWENQOPJVZPDSY-CABZTGNLSA-N 2 1 303.175 1.258 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171899147 162245666 /nfs/dbraw/zinc/24/56/66/162245666.db2.gz FSOLTFQXAPDBIQ-INIZCTEOSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184921867 408717604 /nfs/dbraw/zinc/71/76/04/408717604.db2.gz NTFIYWLRGRMILH-NVXWUHKLSA-N 2 1 318.465 1.041 10 0 DDAEMP Cc1cccc2c(NC[C@H](O)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000185253428 408786762 /nfs/dbraw/zinc/78/67/62/408786762.db2.gz YREIVGAMQSFLMR-HNNXBMFYSA-N 2 1 315.417 1.957 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000178315288 408802987 /nfs/dbraw/zinc/80/29/87/408802987.db2.gz CULJRQBVAWIKPM-JSGCOSHPSA-N 2 1 321.425 1.279 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000178315288 408802994 /nfs/dbraw/zinc/80/29/94/408802994.db2.gz CULJRQBVAWIKPM-JSGCOSHPSA-N 2 1 321.425 1.279 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000194157892 408767595 /nfs/dbraw/zinc/76/75/95/408767595.db2.gz WOFJPSXRAMWQHA-INIZCTEOSA-N 2 1 308.470 1.644 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+](CC)CC ZINC000245661281 287226872 /nfs/dbraw/zinc/22/68/72/287226872.db2.gz DEPBWTOMALYCAH-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638513715 422937982 /nfs/dbraw/zinc/93/79/82/422937982.db2.gz NDNIXFRYYSZAQW-IAGOWNOFSA-N 2 1 319.449 1.329 10 0 DDAEMP C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000496104087 421134597 /nfs/dbraw/zinc/13/45/97/421134597.db2.gz JMSJMZWREYORCR-GOEBONIOSA-N 2 1 317.433 1.985 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743682 424753634 /nfs/dbraw/zinc/75/36/34/424753634.db2.gz KVUNZTXJNIUHRU-SJORKVTESA-N 2 1 318.465 1.046 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743682 424753637 /nfs/dbraw/zinc/75/36/37/424753637.db2.gz KVUNZTXJNIUHRU-SJORKVTESA-N 2 1 318.465 1.046 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396369654 483994038 /nfs/dbraw/zinc/99/40/38/483994038.db2.gz MTXDVLAELAZIJT-PVAVHDDUSA-N 2 1 301.434 1.847 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396369654 483994043 /nfs/dbraw/zinc/99/40/43/483994043.db2.gz MTXDVLAELAZIJT-PVAVHDDUSA-N 2 1 301.434 1.847 10 0 DDAEMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545750 484252158 /nfs/dbraw/zinc/25/21/58/484252158.db2.gz KIDNNGMTJGOPKH-XIRDDKMYSA-N 2 1 317.433 1.002 10 0 DDAEMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545750 484252165 /nfs/dbraw/zinc/25/21/65/484252165.db2.gz KIDNNGMTJGOPKH-XIRDDKMYSA-N 2 1 317.433 1.002 10 0 DDAEMP O=c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc(-c2cccc(F)c2)[nH]1 ZINC000073696043 527479969 /nfs/dbraw/zinc/47/99/69/527479969.db2.gz PPTTZEQCDWEIES-LBPRGKRZSA-N 2 1 316.380 1.665 10 0 DDAEMP C[C@@H]1C[NH+](CCCCCC[N@@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000190842776 697597738 /nfs/dbraw/zinc/59/77/38/697597738.db2.gz 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DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000246365466 408235649 /nfs/dbraw/zinc/23/56/49/408235649.db2.gz IRUMTGAOGQMCJF-ZACQAIPSSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000246658326 408313669 /nfs/dbraw/zinc/31/36/69/408313669.db2.gz HCBXGDPCZDAYIY-CABCVRRESA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000246658326 408313671 /nfs/dbraw/zinc/31/36/71/408313671.db2.gz HCBXGDPCZDAYIY-CABCVRRESA-N 2 1 319.449 1.275 10 0 DDAEMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171901086 162246777 /nfs/dbraw/zinc/24/67/77/162246777.db2.gz CQQFQNMHGMYSKD-QGZVFWFLSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247009315 408387107 /nfs/dbraw/zinc/38/71/07/408387107.db2.gz FTEHACYMDSBIFA-OAGGEKHMSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174195468 162398112 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/nfs/dbraw/zinc/75/46/36/408754636.db2.gz IVMDOSHBQSHNMO-KRWDZBQOSA-N 2 1 319.497 1.639 10 0 DDAEMP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163021268 408754642 /nfs/dbraw/zinc/75/46/42/408754642.db2.gz IVMDOSHBQSHNMO-KRWDZBQOSA-N 2 1 319.497 1.639 10 0 DDAEMP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000190891281 222091933 /nfs/dbraw/zinc/09/19/33/222091933.db2.gz GRADRPMIKZXAGS-UQPPLGOBSA-N 2 1 312.454 1.354 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000389988189 418753151 /nfs/dbraw/zinc/75/31/51/418753151.db2.gz NAOOWGVPXADVTK-BGTYHANMSA-N 2 1 315.461 1.998 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078697 422638907 /nfs/dbraw/zinc/63/89/07/422638907.db2.gz GBYVXCITIXQEFR-IRXDYDNUSA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638078697 422638913 /nfs/dbraw/zinc/63/89/13/422638913.db2.gz GBYVXCITIXQEFR-IRXDYDNUSA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638078697 422638919 /nfs/dbraw/zinc/63/89/19/422638919.db2.gz GBYVXCITIXQEFR-IRXDYDNUSA-N 2 1 318.465 1.046 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000262007112 304850100 /nfs/dbraw/zinc/85/01/00/304850100.db2.gz VFHQRIDOPCCRRX-GVDBMIGSSA-N 2 1 318.465 1.509 10 0 DDAEMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262049901 698452386 /nfs/dbraw/zinc/45/23/86/698452386.db2.gz ZOEJJGRVDSAWAI-MWQQHZPXSA-N 2 1 320.433 1.475 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000225597781 186281423 /nfs/dbraw/zinc/28/14/23/186281423.db2.gz VTSYHRNUUDEFLD-CYBMUJFWSA-N 2 1 324.392 1.418 10 0 DDAEMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179244366 199003684 /nfs/dbraw/zinc/00/36/84/199003684.db2.gz ZROLFYYAKDRQRJ-OALUTQOASA-N 2 1 317.477 1.822 10 0 DDAEMP C[N@H+]1CC[C@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000093386813 193241917 /nfs/dbraw/zinc/24/19/17/193241917.db2.gz BWSXBZSOMOIAPP-ZDUSSCGKSA-N 2 1 309.211 1.868 10 0 DDAEMP CCC[NH2+][C@@H]1CCC[C@@H]1CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000093554668 193267341 /nfs/dbraw/zinc/26/73/41/193267341.db2.gz SNJKRVQDHPOJDP-HUUCEWRRSA-N 2 1 317.499 1.122 10 0 DDAEMP [NH3+]C[C@@]1(O)CCC[C@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093626898 193276596 /nfs/dbraw/zinc/27/65/96/193276596.db2.gz FAFZAPSFZJIZOF-STQMWFEESA-N 2 1 309.376 1.046 10 0 DDAEMP CC(C)[N@@H+](C)CCCC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696761 193291680 /nfs/dbraw/zinc/29/16/80/193291680.db2.gz OYHNTFCDROWXDM-HNNXBMFYSA-N 2 1 319.515 1.368 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1C[NH3+] ZINC000094459108 193371269 /nfs/dbraw/zinc/37/12/69/193371269.db2.gz CZADHQZEAVPINV-GXTWGEPZSA-N 2 1 309.435 1.003 10 0 DDAEMP CCC[C@H](C(N)=S)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000109471705 194266987 /nfs/dbraw/zinc/26/69/87/194266987.db2.gz MCDRXHCSQHYZFU-CYBMUJFWSA-N 2 1 307.467 1.670 10 0 DDAEMP CC[C@@H]1CN(c2ncc(Br)cc2C[NH3+])CC[N@H+]1C ZINC000110750124 194356888 /nfs/dbraw/zinc/35/68/88/194356888.db2.gz KEHWSTVASSIHOM-GFCCVEGCSA-N 2 1 313.243 1.833 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000178732239 407570053 /nfs/dbraw/zinc/57/00/53/407570053.db2.gz HTCZBGVGHHFKFO-DLBZAZTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000178732239 407570058 /nfs/dbraw/zinc/57/00/58/407570058.db2.gz HTCZBGVGHHFKFO-DLBZAZTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000178732239 407570065 /nfs/dbraw/zinc/57/00/65/407570065.db2.gz HTCZBGVGHHFKFO-DLBZAZTESA-N 2 1 322.497 1.844 10 0 DDAEMP COc1cc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)ccc1F ZINC000261797889 407620557 /nfs/dbraw/zinc/62/05/57/407620557.db2.gz OYGHMAYTYCZZAL-AWEZNQCLSA-N 2 1 307.413 1.956 10 0 DDAEMP COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261977990 407698576 /nfs/dbraw/zinc/69/85/76/407698576.db2.gz QYZKSNYDUWRSSZ-HNNXBMFYSA-N 2 1 306.406 1.670 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134584 407748077 /nfs/dbraw/zinc/74/80/77/407748077.db2.gz YNUNNMXOYYOLBX-ZWKOTPCHSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134584 407748082 /nfs/dbraw/zinc/74/80/82/407748082.db2.gz YNUNNMXOYYOLBX-ZWKOTPCHSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134584 407748090 /nfs/dbraw/zinc/74/80/90/407748090.db2.gz YNUNNMXOYYOLBX-ZWKOTPCHSA-N 3 1 302.466 1.835 10 0 DDAEMP CCC[N@@H+](CC)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1CC ZINC000245430423 407979748 /nfs/dbraw/zinc/97/97/48/407979748.db2.gz LQOMKJQNEDQYLK-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245430423 407979757 /nfs/dbraw/zinc/97/97/57/407979757.db2.gz LQOMKJQNEDQYLK-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000245430423 407979766 /nfs/dbraw/zinc/97/97/66/407979766.db2.gz LQOMKJQNEDQYLK-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263203967 408055680 /nfs/dbraw/zinc/05/56/80/408055680.db2.gz JLLFCIAMRNGYDT-DLBZAZTESA-N 2 1 313.401 1.427 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000246390342 408240646 /nfs/dbraw/zinc/24/06/46/408240646.db2.gz IPNKXAOUJLPGIO-IKGGRYGDSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246390342 408240654 /nfs/dbraw/zinc/24/06/54/408240654.db2.gz IPNKXAOUJLPGIO-IKGGRYGDSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246390342 408240661 /nfs/dbraw/zinc/24/06/61/408240661.db2.gz IPNKXAOUJLPGIO-IKGGRYGDSA-N 2 1 322.497 1.987 10 0 DDAEMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ncn1 ZINC000246441311 408254990 /nfs/dbraw/zinc/25/49/90/408254990.db2.gz ONIXSRLPSFWEIY-SOUVJXGZSA-N 2 1 318.469 1.559 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000246776304 408336572 /nfs/dbraw/zinc/33/65/72/408336572.db2.gz CGWWCGKQLSBXMM-GOEBONIOSA-N 2 1 310.486 1.887 10 0 DDAEMP CC(C)[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000177195074 408549204 /nfs/dbraw/zinc/54/92/04/408549204.db2.gz WGPPXKBVQWRWQB-HOTGVXAUSA-N 2 1 311.470 1.334 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000177195074 408549206 /nfs/dbraw/zinc/54/92/06/408549206.db2.gz WGPPXKBVQWRWQB-HOTGVXAUSA-N 2 1 311.470 1.334 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000177775346 408709495 /nfs/dbraw/zinc/70/94/95/408709495.db2.gz XCABQAYZRYAXIM-QGZVFWFLSA-N 2 1 322.497 1.146 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178307310 408801419 /nfs/dbraw/zinc/80/14/19/408801419.db2.gz GSOQZPCGFWZIPD-LZWOXQAQSA-N 2 1 320.437 1.292 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178307310 408801422 /nfs/dbraw/zinc/80/14/22/408801422.db2.gz GSOQZPCGFWZIPD-LZWOXQAQSA-N 2 1 320.437 1.292 10 0 DDAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282239919 409016808 /nfs/dbraw/zinc/01/68/08/409016808.db2.gz IZSFNKAQXLBZCB-YOEHRIQHSA-N 2 1 301.434 1.908 10 0 DDAEMP Nc1nnc(CC[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000299739807 410605602 /nfs/dbraw/zinc/60/56/02/410605602.db2.gz RNFVNQORJGUITG-NSHDSACASA-N 2 1 318.450 1.685 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132777831 196282641 /nfs/dbraw/zinc/28/26/41/196282641.db2.gz JVZOZFIUJWTMGI-DLBZAZTESA-N 2 1 317.433 1.050 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132777831 196282643 /nfs/dbraw/zinc/28/26/43/196282643.db2.gz JVZOZFIUJWTMGI-DLBZAZTESA-N 2 1 317.433 1.050 10 0 DDAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719869 422584971 /nfs/dbraw/zinc/58/49/71/422584971.db2.gz ATRNOFPMJBLSSL-AEFFLSMTSA-N 2 1 306.450 1.620 10 0 DDAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719869 422584977 /nfs/dbraw/zinc/58/49/77/422584977.db2.gz ATRNOFPMJBLSSL-AEFFLSMTSA-N 2 1 306.450 1.620 10 0 DDAEMP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658238812 424616410 /nfs/dbraw/zinc/61/64/10/424616410.db2.gz IWLNZWHMKBJVEB-RYQLBKOJSA-N 2 1 315.461 1.965 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)C[NH+]1CCCC1 ZINC000247499112 278201718 /nfs/dbraw/zinc/20/17/18/278201718.db2.gz UWKRRGUTDYQIGI-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261622621 288067072 /nfs/dbraw/zinc/06/70/72/288067072.db2.gz BASSJAVJSMGFBM-LXTVHRRPSA-N 2 1 311.470 1.365 10 0 DDAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261622621 288067073 /nfs/dbraw/zinc/06/70/73/288067073.db2.gz BASSJAVJSMGFBM-LXTVHRRPSA-N 2 1 311.470 1.365 10 0 DDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156282562 280206667 /nfs/dbraw/zinc/20/66/67/280206667.db2.gz BNUKQVNWGIHASM-QGZVFWFLSA-N 2 1 319.449 1.277 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185170028 300313372 /nfs/dbraw/zinc/31/33/72/300313372.db2.gz VXMAFISELFZEFV-JKSUJKDBSA-N 2 1 322.497 1.987 10 0 DDAEMP C[NH2+][C@@H](C)CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000261707618 698433776 /nfs/dbraw/zinc/43/37/76/698433776.db2.gz JQRNILGOCGJBLO-SOUVJXGZSA-N 2 1 319.449 1.634 10 0 DDAEMP C[NH2+][C@@H](C)CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000261707618 698433779 /nfs/dbraw/zinc/43/37/79/698433779.db2.gz JQRNILGOCGJBLO-SOUVJXGZSA-N 2 1 319.449 1.634 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261874507 698442385 /nfs/dbraw/zinc/44/23/85/698442385.db2.gz DLSOIRMAXGJGQG-WCXIOVBPSA-N 2 1 308.397 1.606 10 0 DDAEMP C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261938425 698446028 /nfs/dbraw/zinc/44/60/28/698446028.db2.gz MNNPDWFRQYKOEW-OKDNKWQNSA-N 2 1 304.434 1.987 10 0 DDAEMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261961573 698448223 /nfs/dbraw/zinc/44/82/23/698448223.db2.gz PQBGHJBMCIZFDP-BRSBDYLESA-N 2 1 304.434 1.775 10 0 DDAEMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCSCC1 ZINC000132898599 539189892 /nfs/dbraw/zinc/18/98/92/539189892.db2.gz YVJZYMRMNDHYMM-ZBFHGGJFSA-N 2 1 321.490 1.843 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087905157 185237439 /nfs/dbraw/zinc/23/74/39/185237439.db2.gz YDRLMUXSOFKMRX-MRVPVSSYSA-N 2 1 315.219 1.421 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087905157 185237440 /nfs/dbraw/zinc/23/74/40/185237440.db2.gz YDRLMUXSOFKMRX-MRVPVSSYSA-N 2 1 315.219 1.421 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000249749617 282193709 /nfs/dbraw/zinc/19/37/09/282193709.db2.gz ADHKINMOWAZGNS-XHSDSOJGSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000249749617 282193713 /nfs/dbraw/zinc/19/37/13/282193713.db2.gz ADHKINMOWAZGNS-XHSDSOJGSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000249749617 282193715 /nfs/dbraw/zinc/19/37/15/282193715.db2.gz ADHKINMOWAZGNS-XHSDSOJGSA-N 2 1 310.486 1.890 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000221568617 539265128 /nfs/dbraw/zinc/26/51/28/539265128.db2.gz DAOGOHUVYZNTSD-HZPDHXFCSA-N 2 1 312.502 1.994 10 0 DDAEMP C[C@]1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)COC[C@H]1[NH3+] ZINC000090606414 185306289 /nfs/dbraw/zinc/30/62/89/185306289.db2.gz DLVMOIVLQQJJPF-CVEARBPZSA-N 2 1 309.841 1.826 10 0 DDAEMP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000092954295 185350450 /nfs/dbraw/zinc/35/04/50/185350450.db2.gz QPPZGEMQHRRPHB-UKRRQHHQSA-N 2 1 307.463 1.780 10 0 DDAEMP COc1cc2c(c(F)c1)CN(CCC[NH+]1CCOCC1)[C@H]2C[NH3+] ZINC000071683476 191006387 /nfs/dbraw/zinc/00/63/87/191006387.db2.gz FFMDXLNVUAMABG-KRWDZBQOSA-N 2 1 323.412 1.372 10 0 DDAEMP CCC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCOC ZINC000093592062 193270586 /nfs/dbraw/zinc/27/05/86/193270586.db2.gz MQSNTNMJHMLFKJ-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CCC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)CCOC ZINC000093592062 193270587 /nfs/dbraw/zinc/27/05/87/193270587.db2.gz MQSNTNMJHMLFKJ-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP C[N@H+]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094638820 193388043 /nfs/dbraw/zinc/38/80/43/193388043.db2.gz HWKJZJMEBABDLJ-APIJFGDWSA-N 2 1 302.484 1.792 10 0 DDAEMP C[N@@H+]([C@@H]1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000094638820 193388044 /nfs/dbraw/zinc/38/80/44/193388044.db2.gz HWKJZJMEBABDLJ-APIJFGDWSA-N 2 1 302.484 1.792 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105016110 194064823 /nfs/dbraw/zinc/06/48/23/194064823.db2.gz SSKHRBNOPVUGRG-HZPDHXFCSA-N 2 1 308.470 1.598 10 0 DDAEMP Fc1ccc(C[N@H+]2C[C@H]3COC[C@]3(CN3CCOCC3)C2)cc1 ZINC000503716992 257210104 /nfs/dbraw/zinc/21/01/04/257210104.db2.gz KRBZUNYZKHVZOA-WMZOPIPTSA-N 2 1 320.408 1.606 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000124861433 407371444 /nfs/dbraw/zinc/37/14/44/407371444.db2.gz NLVBLXWMJCTEOG-KBPBESRZSA-N 2 1 322.457 1.295 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261910035 407665163 /nfs/dbraw/zinc/66/51/63/407665163.db2.gz IVJXJCIOLRFJGR-ZACQAIPSSA-N 2 1 314.433 1.624 10 0 DDAEMP Cc1cccc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)[nH+]1 ZINC000262101483 407741940 /nfs/dbraw/zinc/74/19/40/407741940.db2.gz IUEZKXUZOFBZOE-CABCVRRESA-N 2 1 302.422 1.475 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747671 /nfs/dbraw/zinc/74/76/71/407747671.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747678 /nfs/dbraw/zinc/74/76/78/407747678.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747688 /nfs/dbraw/zinc/74/76/88/407747688.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 3 1 302.466 1.835 10 0 DDAEMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262260309 407779229 /nfs/dbraw/zinc/77/92/29/407779229.db2.gz MFINTABOCYSONG-TUVASFSCSA-N 2 1 311.470 1.236 10 0 DDAEMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000262510595 407854794 /nfs/dbraw/zinc/85/47/94/407854794.db2.gz MYKMDCGNDLIOTC-OFQRWUPVSA-N 2 1 305.397 1.419 10 0 DDAEMP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000262510595 407854798 /nfs/dbraw/zinc/85/47/98/407854798.db2.gz MYKMDCGNDLIOTC-OFQRWUPVSA-N 2 1 305.397 1.419 10 0 DDAEMP CN(CC[N@@H+](C)C[C@@H](O)COC(C)(C)C)C1CC[NH+](C)CC1 ZINC000180961552 407939833 /nfs/dbraw/zinc/93/98/33/407939833.db2.gz MOFZBCGLKPDYLE-MRXNPFEDSA-N 2 1 315.502 1.120 10 0 DDAEMP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126800 408033282 /nfs/dbraw/zinc/03/32/82/408033282.db2.gz BJDRZEURLFVOEM-SPUZQDLCSA-N 2 1 303.450 1.209 10 0 DDAEMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ncn1 ZINC000246441293 408256056 /nfs/dbraw/zinc/25/60/56/408256056.db2.gz ONIXSRLPSFWEIY-RBSFLKMASA-N 2 1 318.469 1.559 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246301747 408211353 /nfs/dbraw/zinc/21/13/53/408211353.db2.gz AMLDLGOPODYCMN-HZPDHXFCSA-N 2 1 310.486 1.700 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246542819 408287525 /nfs/dbraw/zinc/28/75/25/408287525.db2.gz KNXPUBKNWQNANF-BBWFWOEESA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246542819 408287529 /nfs/dbraw/zinc/28/75/29/408287529.db2.gz KNXPUBKNWQNANF-BBWFWOEESA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246542819 408287533 /nfs/dbraw/zinc/28/75/33/408287533.db2.gz KNXPUBKNWQNANF-BBWFWOEESA-N 2 1 322.497 1.985 10 0 DDAEMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000171901499 162246237 /nfs/dbraw/zinc/24/62/37/162246237.db2.gz AMQNPBICGKKCAC-KRWDZBQOSA-N 2 1 316.449 1.738 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000247304207 408447765 /nfs/dbraw/zinc/44/77/65/408447765.db2.gz LNOKIVMUHVCEDA-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000247332839 408451837 /nfs/dbraw/zinc/45/18/37/408451837.db2.gz NAWUYTTUHGNFLA-XJKSGUPXSA-N 2 1 308.470 1.641 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)COC(C)C)C2)[nH+]1 ZINC000195519398 163328595 /nfs/dbraw/zinc/32/85/95/163328595.db2.gz VUBBHDIYRVRDHB-CVEARBPZSA-N 2 1 307.438 1.910 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)COC(C)C)C2)[nH+]1 ZINC000195519398 163328596 /nfs/dbraw/zinc/32/85/96/163328596.db2.gz VUBBHDIYRVRDHB-CVEARBPZSA-N 2 1 307.438 1.910 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247092896 279126968 /nfs/dbraw/zinc/12/69/68/279126968.db2.gz IEGYMPRGROUZGC-BZUAXINKSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[N@@H+](CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000127845782 281288026 /nfs/dbraw/zinc/28/80/26/281288026.db2.gz SDTSNSYWVOFQDP-AWEZNQCLSA-N 2 1 311.470 1.022 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000156612226 523851564 /nfs/dbraw/zinc/85/15/64/523851564.db2.gz IZGSDWWCHQXSBA-OAHLLOKOSA-N 2 1 319.449 1.541 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000156612226 523851567 /nfs/dbraw/zinc/85/15/67/523851567.db2.gz IZGSDWWCHQXSBA-OAHLLOKOSA-N 2 1 319.449 1.541 10 0 DDAEMP C1CC1[NH+]1CCC(c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)CC1 ZINC000329685958 698754458 /nfs/dbraw/zinc/75/44/58/698754458.db2.gz AEMQBDRXJQEUTH-LSDHHAIUSA-N 2 1 318.421 1.947 10 0 DDAEMP C1CC1[NH+]1CCC(c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)CC1 ZINC000329685958 698754462 /nfs/dbraw/zinc/75/44/62/698754462.db2.gz AEMQBDRXJQEUTH-LSDHHAIUSA-N 2 1 318.421 1.947 10 0 DDAEMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336427 699229445 /nfs/dbraw/zinc/22/94/45/699229445.db2.gz PIEUOMLXZVVRDV-SQNIBIBYSA-N 2 1 304.434 1.448 10 0 DDAEMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336427 699229447 /nfs/dbraw/zinc/22/94/47/699229447.db2.gz PIEUOMLXZVVRDV-SQNIBIBYSA-N 2 1 304.434 1.448 10 0 DDAEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336427 699229450 /nfs/dbraw/zinc/22/94/50/699229450.db2.gz PIEUOMLXZVVRDV-SQNIBIBYSA-N 2 1 304.434 1.448 10 0 DDAEMP CC(C)[NH2+]CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092679041 185333341 /nfs/dbraw/zinc/33/33/41/185333341.db2.gz IPCUSZPAIVCATL-AWEZNQCLSA-N 2 1 305.488 1.120 10 0 DDAEMP CCC[NH2+]C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695714 193291013 /nfs/dbraw/zinc/29/10/13/193291013.db2.gz XROIJDJJDUBDFE-CQSZACIVSA-N 2 1 317.499 1.122 10 0 DDAEMP [NH3+]CCCC[NH+]1CCN([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364425 193366231 /nfs/dbraw/zinc/36/62/31/193366231.db2.gz HNJQDSOCWSHSLP-HZPDHXFCSA-N 2 1 313.511 1.398 10 0 DDAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1nc2sccn2c1C[NH3+] ZINC000094446591 193371346 /nfs/dbraw/zinc/37/13/46/193371346.db2.gz FEQCBNVBFKLZLM-NWDGAFQWSA-N 2 1 305.451 1.918 10 0 DDAEMP CC1(C)CSC[C@](C[NH3+])([N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489555 193373531 /nfs/dbraw/zinc/37/35/31/193373531.db2.gz YIRXUAHUSRTQRS-HOCLYGCPSA-N 2 1 313.511 1.254 10 0 DDAEMP CC1(C)CSC[C@](C[NH3+])([N@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000094489555 193373533 /nfs/dbraw/zinc/37/35/33/193373533.db2.gz YIRXUAHUSRTQRS-HOCLYGCPSA-N 2 1 313.511 1.254 10 0 DDAEMP CCOC(=O)[C@@](C)(CC[N@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145994 194395740 /nfs/dbraw/zinc/39/57/40/194395740.db2.gz WMWIMDDWLJWGLS-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP CCOC(=O)[C@@](C)(CC[N@@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145994 194395741 /nfs/dbraw/zinc/39/57/41/194395741.db2.gz WMWIMDDWLJWGLS-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169465 194397887 /nfs/dbraw/zinc/39/78/87/194397887.db2.gz OBUUWUUBZJTVHP-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169465 194397889 /nfs/dbraw/zinc/39/78/89/194397889.db2.gz OBUUWUUBZJTVHP-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP O=S(=O)(CC[C@H]1CCCC[NH2+]1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062943061 184261686 /nfs/dbraw/zinc/26/16/86/184261686.db2.gz LYNBGWNNCQPEIQ-HUUCEWRRSA-N 2 1 315.483 1.019 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnc(C3CC3)n2C)CC1 ZINC000069818053 406776553 /nfs/dbraw/zinc/77/65/53/406776553.db2.gz YGGQHYVYUCWOPV-CYBMUJFWSA-N 2 1 321.469 1.217 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnc(C3CC3)n2C)CC1 ZINC000069818053 406776556 /nfs/dbraw/zinc/77/65/56/406776556.db2.gz YGGQHYVYUCWOPV-CYBMUJFWSA-N 2 1 321.469 1.217 10 0 DDAEMP CC1CC[NH+](CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113591620 407519045 /nfs/dbraw/zinc/51/90/45/407519045.db2.gz BNQLBBSCDQZHEB-JKSUJKDBSA-N 2 1 308.470 1.596 10 0 DDAEMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261883936 407653431 /nfs/dbraw/zinc/65/34/31/407653431.db2.gz FQKLWUYKPISMGE-ARFHVFGLSA-N 2 1 323.481 1.382 10 0 DDAEMP [NH3+]C1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCOCC1 ZINC000261948556 407683942 /nfs/dbraw/zinc/68/39/42/407683942.db2.gz YPTDQSILZKGKED-UHFFFAOYSA-N 2 1 323.481 1.609 10 0 DDAEMP [NH3+]C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1c1ccccc1 ZINC000262071075 407731646 /nfs/dbraw/zinc/73/16/46/407731646.db2.gz CIRDYXGOMKIKMQ-WBVHZDCISA-N 2 1 307.401 1.904 10 0 DDAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@H]1c1ccccc1 ZINC000262071075 407731650 /nfs/dbraw/zinc/73/16/50/407731650.db2.gz CIRDYXGOMKIKMQ-WBVHZDCISA-N 2 1 307.401 1.904 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000245414661 407970792 /nfs/dbraw/zinc/97/07/92/407970792.db2.gz CMZLXKOSBCWFFR-GJZGRUSLSA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000245414661 407970799 /nfs/dbraw/zinc/97/07/99/407970799.db2.gz CMZLXKOSBCWFFR-GJZGRUSLSA-N 2 1 319.449 1.275 10 0 DDAEMP CCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OCC ZINC000263275158 408084753 /nfs/dbraw/zinc/08/47/53/408084753.db2.gz SSLLESTXNNEWQM-LSDHHAIUSA-N 2 1 308.422 1.544 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246238547 408188301 /nfs/dbraw/zinc/18/83/01/408188301.db2.gz INQVKKZZIGABFN-MPTYRVRUSA-N 2 1 319.449 1.236 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000246238547 408188304 /nfs/dbraw/zinc/18/83/04/408188304.db2.gz INQVKKZZIGABFN-MPTYRVRUSA-N 2 1 319.449 1.236 10 0 DDAEMP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)[C@H](C)C1 ZINC000246517055 408280152 /nfs/dbraw/zinc/28/01/52/408280152.db2.gz UOQDLGQPPFPGPU-OWCLPIDISA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246517055 408280158 /nfs/dbraw/zinc/28/01/58/408280158.db2.gz UOQDLGQPPFPGPU-OWCLPIDISA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246517055 408280165 /nfs/dbraw/zinc/28/01/65/408280165.db2.gz UOQDLGQPPFPGPU-OWCLPIDISA-N 2 1 310.486 1.842 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246859643 408355955 /nfs/dbraw/zinc/35/59/55/408355955.db2.gz FNPDKESZVRPFOC-WBVHZDCISA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171907013 162248390 /nfs/dbraw/zinc/24/83/90/162248390.db2.gz RIXULVPECYQGBE-INIZCTEOSA-N 2 1 310.486 1.988 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000247511115 408483585 /nfs/dbraw/zinc/48/35/85/408483585.db2.gz YJBAMXRBUPDQBO-RHSMWYFYSA-N 2 1 322.497 1.889 10 0 DDAEMP CCc1nc2ccccc2n1CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195318398 222197586 /nfs/dbraw/zinc/19/75/86/222197586.db2.gz DGDCLGFLVFCPGK-CQSZACIVSA-N 2 1 312.417 1.905 10 0 DDAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390778448 418755671 /nfs/dbraw/zinc/75/56/71/418755671.db2.gz PAZRYWZKYYXSLO-IAGOWNOFSA-N 2 1 303.450 1.998 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638835621 423148248 /nfs/dbraw/zinc/14/82/48/423148248.db2.gz NASLVVLDNBLIHQ-CYGHRXIMSA-N 2 1 315.461 1.726 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837243 423150407 /nfs/dbraw/zinc/15/04/07/423150407.db2.gz YIUOTHUZBGHLQK-USXIJHARSA-N 2 1 301.434 1.480 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078695 422638257 /nfs/dbraw/zinc/63/82/57/422638257.db2.gz GBYVXCITIXQEFR-DLBZAZTESA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638078695 422638260 /nfs/dbraw/zinc/63/82/60/422638260.db2.gz GBYVXCITIXQEFR-DLBZAZTESA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638078695 422638267 /nfs/dbraw/zinc/63/82/67/422638267.db2.gz GBYVXCITIXQEFR-DLBZAZTESA-N 2 1 318.465 1.046 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743681 424753219 /nfs/dbraw/zinc/75/32/19/424753219.db2.gz KVUNZTXJNIUHRU-IRXDYDNUSA-N 2 1 318.465 1.046 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743681 424753220 /nfs/dbraw/zinc/75/32/20/424753220.db2.gz KVUNZTXJNIUHRU-IRXDYDNUSA-N 2 1 318.465 1.046 10 0 DDAEMP CCCC[C@@H](C(=O)OC)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915390 276239178 /nfs/dbraw/zinc/23/91/78/276239178.db2.gz KGUUYNUGBKDKMS-ZBFHGGJFSA-N 2 1 314.470 1.743 10 0 DDAEMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1C[NH2+]C1 ZINC000262532552 289357021 /nfs/dbraw/zinc/35/70/21/289357021.db2.gz MECHACUXCPKHAH-XHDPSFHLSA-N 2 1 309.841 1.914 10 0 DDAEMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000171903773 298239302 /nfs/dbraw/zinc/23/93/02/298239302.db2.gz BIEIEJBYJYQVOW-NUJGCVRESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497222932 302693430 /nfs/dbraw/zinc/69/34/30/302693430.db2.gz QYVAMGLOJIIWTC-MELADBBJSA-N 2 1 315.458 1.144 10 0 DDAEMP CN(C)c1cc[nH+]c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000154345770 522306099 /nfs/dbraw/zinc/30/60/99/522306099.db2.gz SQYYLAMACTVLFV-LSDHHAIUSA-N 2 1 319.453 1.722 10 0 DDAEMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000171191601 697355385 /nfs/dbraw/zinc/35/53/85/697355385.db2.gz FGCMQSVVHOMAOA-INIZCTEOSA-N 2 1 313.405 1.766 10 0 DDAEMP CN(CC(=O)N1CC[NH2+]CC1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000261846147 698440729 /nfs/dbraw/zinc/44/07/29/698440729.db2.gz DBNJOVLKMHWXJE-UHFFFAOYSA-N 2 1 318.808 1.756 10 0 DDAEMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261974294 698448639 /nfs/dbraw/zinc/44/86/39/698448639.db2.gz QVMDXIURYRFESZ-ZJPYXAASSA-N 2 1 320.433 1.475 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715161825 699274558 /nfs/dbraw/zinc/27/45/58/699274558.db2.gz VQOFLGUWLOZLHM-UBHSHLNASA-N 2 1 311.376 1.463 10 0 DDAEMP FC1(F)CC[NH2+]C[C@@H]1CNc1cc[nH+]cc1Br ZINC000717050129 699285928 /nfs/dbraw/zinc/28/59/28/699285928.db2.gz QMTNHTKHEQXEPY-MRVPVSSYSA-N 2 1 306.154 1.923 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CC(F)(F)F)CC1 ZINC000249501084 282161195 /nfs/dbraw/zinc/16/11/95/282161195.db2.gz XFSQWPJMXUGBDO-YPMHNXCESA-N 2 1 312.376 1.324 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000249749602 282193651 /nfs/dbraw/zinc/19/36/51/282193651.db2.gz ADHKINMOWAZGNS-OAGGEKHMSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249749602 282193656 /nfs/dbraw/zinc/19/36/56/282193656.db2.gz ADHKINMOWAZGNS-OAGGEKHMSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249749602 282193658 /nfs/dbraw/zinc/19/36/58/282193658.db2.gz ADHKINMOWAZGNS-OAGGEKHMSA-N 2 1 310.486 1.890 10 0 DDAEMP C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738387 539246398 /nfs/dbraw/zinc/24/63/98/539246398.db2.gz QNSYGXZIELEXPT-UXLLHSPISA-N 2 1 323.481 1.212 10 0 DDAEMP C[C@]1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)COC[C@@H]1[NH3+] ZINC000090606517 185306566 /nfs/dbraw/zinc/30/65/66/185306566.db2.gz FOGXLMMTAAIKPD-HOTGVXAUSA-N 2 1 309.841 1.826 10 0 DDAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000092954298 185350325 /nfs/dbraw/zinc/35/03/25/185350325.db2.gz QPPZGEMQHRRPHB-ZFWWWQNUSA-N 2 1 307.463 1.780 10 0 DDAEMP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000303219402 354461689 /nfs/dbraw/zinc/46/16/89/354461689.db2.gz HCVPIPMVRWPTCW-IBGZPJMESA-N 2 1 317.477 1.961 10 0 DDAEMP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000073402183 191312189 /nfs/dbraw/zinc/31/21/89/191312189.db2.gz GYBCQQWXESVMRW-HNNXBMFYSA-N 2 1 316.449 1.719 10 0 DDAEMP CCC[NH2+]CCCS(=O)(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000089026139 192707378 /nfs/dbraw/zinc/70/73/78/192707378.db2.gz WAQFOVXBTKWYAC-CQSZACIVSA-N 2 1 305.488 1.122 10 0 DDAEMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237892449 202383297 /nfs/dbraw/zinc/38/32/97/202383297.db2.gz TZGNUGWKYJVQSI-DLBZAZTESA-N 2 1 301.434 1.848 10 0 DDAEMP CC[N@@H+]1CCC[C@H](NC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000174237775 248359477 /nfs/dbraw/zinc/35/94/77/248359477.db2.gz VUHJCEYESCWVKE-HNNXBMFYSA-N 2 1 307.442 1.755 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000174237775 248359481 /nfs/dbraw/zinc/35/94/81/248359481.db2.gz VUHJCEYESCWVKE-HNNXBMFYSA-N 2 1 307.442 1.755 10 0 DDAEMP CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000040716248 183122721 /nfs/dbraw/zinc/12/27/21/183122721.db2.gz AFBFREPNKIKWDT-HIFRSBDPSA-N 2 1 311.451 1.469 10 0 DDAEMP CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040716248 183122724 /nfs/dbraw/zinc/12/27/24/183122724.db2.gz AFBFREPNKIKWDT-HIFRSBDPSA-N 2 1 311.451 1.469 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000041681873 183216728 /nfs/dbraw/zinc/21/67/28/183216728.db2.gz PGOQIPTYTSTLJO-CQSZACIVSA-N 2 1 305.488 1.026 10 0 DDAEMP CCOCC[N@@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000111122095 194391895 /nfs/dbraw/zinc/39/18/95/194391895.db2.gz CWACPNJCDPBOJL-MRXNPFEDSA-N 2 1 301.475 1.757 10 0 DDAEMP CCOC(=O)[C@@](C)([NH3+])CCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111169366 194397393 /nfs/dbraw/zinc/39/73/93/194397393.db2.gz XHIJXKJJJBCUMK-HOCLYGCPSA-N 2 1 300.443 1.796 10 0 DDAEMP Cc1ccsc1C[NH2+]CCN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062974914 184263825 /nfs/dbraw/zinc/26/38/25/184263825.db2.gz AEALANPJVVJBPE-OAHLLOKOSA-N 2 1 309.479 1.553 10 0 DDAEMP C[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261670924 407576106 /nfs/dbraw/zinc/57/61/06/407576106.db2.gz BXAIUFSEZUBQNS-GFCCVEGCSA-N 2 1 323.462 1.119 10 0 DDAEMP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261784673 407614589 /nfs/dbraw/zinc/61/45/89/407614589.db2.gz NDBDTVUBRWSTML-KRWDZBQOSA-N 2 1 317.433 1.085 10 0 DDAEMP COC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH]1 ZINC000261833810 407635128 /nfs/dbraw/zinc/63/51/28/407635128.db2.gz OMPUXXVVVIYDSF-ZBFHGGJFSA-N 2 1 313.401 1.976 10 0 DDAEMP COC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH]1 ZINC000261833810 407635133 /nfs/dbraw/zinc/63/51/33/407635133.db2.gz OMPUXXVVVIYDSF-ZBFHGGJFSA-N 2 1 313.401 1.976 10 0 DDAEMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261883938 407653680 /nfs/dbraw/zinc/65/36/80/407653680.db2.gz FQKLWUYKPISMGE-BZUAXINKSA-N 2 1 323.481 1.382 10 0 DDAEMP CCn1cc(CN2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261929213 407675845 /nfs/dbraw/zinc/67/58/45/407675845.db2.gz CPUQRGWZNYSWMJ-KRWDZBQOSA-N 2 1 305.470 1.410 10 0 DDAEMP CCn1cc(C[N@@H+]2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261929213 407675851 /nfs/dbraw/zinc/67/58/51/407675851.db2.gz CPUQRGWZNYSWMJ-KRWDZBQOSA-N 2 1 305.470 1.410 10 0 DDAEMP CCn1cc(C[N@H+]2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261929213 407675858 /nfs/dbraw/zinc/67/58/58/407675858.db2.gz CPUQRGWZNYSWMJ-KRWDZBQOSA-N 2 1 305.470 1.410 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000171588549 407711917 /nfs/dbraw/zinc/71/19/17/407711917.db2.gz IALISERXIRORQR-YJBOKZPZSA-N 2 1 306.450 1.745 10 0 DDAEMP C[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000262607940 407879982 /nfs/dbraw/zinc/87/99/82/407879982.db2.gz ZSRCVQXSRAWZFJ-UKPHBRMFSA-N 2 1 301.434 1.677 10 0 DDAEMP 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322.497 1.985 10 0 DDAEMP Cc1ccccc1C[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261895994 407660703 /nfs/dbraw/zinc/66/07/03/407660703.db2.gz RBGOSOUAGZHEFJ-UHFFFAOYSA-N 2 1 317.433 1.147 10 0 DDAEMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc2c1OCO2 ZINC000262041182 407720465 /nfs/dbraw/zinc/72/04/65/407720465.db2.gz YOSVHIGVQLVDMA-RBSFLKMASA-N 2 1 304.390 1.662 10 0 DDAEMP CCNC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262075771 407730734 /nfs/dbraw/zinc/73/07/34/407730734.db2.gz DGQYBGPIVYTHAG-AWEZNQCLSA-N 2 1 307.463 1.828 10 0 DDAEMP CCNC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262075771 407730742 /nfs/dbraw/zinc/73/07/42/407730742.db2.gz DGQYBGPIVYTHAG-AWEZNQCLSA-N 2 1 307.463 1.828 10 0 DDAEMP CCOCCN1CCN(c2cc(NCC3CC3)ncn2)C[C@H]1C ZINC000245582461 408021544 /nfs/dbraw/zinc/02/15/44/408021544.db2.gz CYHLINUWABWNDW-CQSZACIVSA-N 2 1 319.453 1.846 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000263236108 408070896 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ZINC000248650648 408608044 /nfs/dbraw/zinc/60/80/44/408608044.db2.gz SEOQQRNGDLIHAX-GJZGRUSLSA-N 2 1 311.470 1.199 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COC(C)C)C2)n1 ZINC000249910201 408772687 /nfs/dbraw/zinc/77/26/87/408772687.db2.gz VUBBHDIYRVRDHB-JKSUJKDBSA-N 2 1 307.438 1.910 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COC(C)C)C2)[nH+]1 ZINC000249910201 408772689 /nfs/dbraw/zinc/77/26/89/408772689.db2.gz VUBBHDIYRVRDHB-JKSUJKDBSA-N 2 1 307.438 1.910 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COC(C)C)C2)[nH+]1 ZINC000249910201 408772691 /nfs/dbraw/zinc/77/26/91/408772691.db2.gz VUBBHDIYRVRDHB-JKSUJKDBSA-N 2 1 307.438 1.910 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OC(F)F)cc1C ZINC000263110313 163917263 /nfs/dbraw/zinc/91/72/63/163917263.db2.gz AFPTYBNYBLUANN-CHWSQXEVSA-N 2 1 300.349 1.575 10 0 DDAEMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263253717 163939021 /nfs/dbraw/zinc/93/90/21/163939021.db2.gz QGTCZFAJAKJGRL-WBMJQRKESA-N 2 1 320.824 1.504 10 0 DDAEMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)[N@H+](C)C1 ZINC000345617575 409716137 /nfs/dbraw/zinc/71/61/37/409716137.db2.gz ITDCHWSCPFDHPL-HOTGVXAUSA-N 2 1 323.437 1.197 10 0 DDAEMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)[N@@H+](C)C1 ZINC000345617575 409716149 /nfs/dbraw/zinc/71/61/49/409716149.db2.gz ITDCHWSCPFDHPL-HOTGVXAUSA-N 2 1 323.437 1.197 10 0 DDAEMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000920 287226006 /nfs/dbraw/zinc/22/60/06/287226006.db2.gz QENUSUHFIIXZSN-SJORKVTESA-N 2 1 323.481 1.574 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000920 287226008 /nfs/dbraw/zinc/22/60/08/287226008.db2.gz QENUSUHFIIXZSN-SJORKVTESA-N 2 1 323.481 1.574 10 0 DDAEMP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290442 222196281 /nfs/dbraw/zinc/19/62/81/222196281.db2.gz JTJXFVRYONHKAA-DOTOQJQBSA-N 2 1 318.465 1.750 10 0 DDAEMP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290442 222196285 /nfs/dbraw/zinc/19/62/85/222196285.db2.gz JTJXFVRYONHKAA-DOTOQJQBSA-N 2 1 318.465 1.750 10 0 DDAEMP C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973370 227289543 /nfs/dbraw/zinc/28/95/43/227289543.db2.gz BVQVXXDVTKRSHO-RYQLBKOJSA-N 2 1 303.450 1.211 10 0 DDAEMP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973370 227289547 /nfs/dbraw/zinc/28/95/47/227289547.db2.gz BVQVXXDVTKRSHO-RYQLBKOJSA-N 2 1 303.450 1.211 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C[N@H+]1Cc1ccccc1 ZINC000649343819 423776579 /nfs/dbraw/zinc/77/65/79/423776579.db2.gz YAHUWGHGCGMWOE-OIISXLGYSA-N 2 1 317.433 1.002 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245576 424619367 /nfs/dbraw/zinc/61/93/67/424619367.db2.gz SJDZTTOYUUNZHI-NJAFHUGGSA-N 2 1 315.461 1.965 10 0 DDAEMP C[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192713066 278393448 /nfs/dbraw/zinc/39/34/48/278393448.db2.gz RROVQHFBFNYOIH-QAPCUYQASA-N 2 1 306.450 1.745 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)COC(C)(C)C)CC1 ZINC000105915504 278395466 /nfs/dbraw/zinc/39/54/66/278395466.db2.gz FMPSGYVTZGXCFB-ZBFHGGJFSA-N 2 1 316.486 1.187 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247196535 279271580 /nfs/dbraw/zinc/27/15/80/279271580.db2.gz LLEULJFVTDRIJZ-ARFHVFGLSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247196535 279271581 /nfs/dbraw/zinc/27/15/81/279271581.db2.gz LLEULJFVTDRIJZ-ARFHVFGLSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247196535 279271582 /nfs/dbraw/zinc/27/15/82/279271582.db2.gz LLEULJFVTDRIJZ-ARFHVFGLSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000245424289 279298201 /nfs/dbraw/zinc/29/82/01/279298201.db2.gz RTPDPPZZPJZYGN-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000245424289 279298204 /nfs/dbraw/zinc/29/82/04/279298204.db2.gz RTPDPPZZPJZYGN-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000245424289 279298206 /nfs/dbraw/zinc/29/82/06/279298206.db2.gz RTPDPPZZPJZYGN-HZPDHXFCSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000121629925 281141653 /nfs/dbraw/zinc/14/16/53/281141653.db2.gz WDDUOJHUBZWHCK-CVEARBPZSA-N 2 1 311.470 1.022 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247004775 288302650 /nfs/dbraw/zinc/30/26/50/288302650.db2.gz KXSRRURSXOGFEG-KLHDSHLOSA-N 2 1 308.470 1.737 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247558086 282060002 /nfs/dbraw/zinc/06/00/02/282060002.db2.gz RFCAKBHTFWJZHQ-HOTGVXAUSA-N 2 1 308.470 1.596 10 0 DDAEMP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554193 698427437 /nfs/dbraw/zinc/42/74/37/698427437.db2.gz UAXUXBAJMMZESG-IKGGRYGDSA-N 2 1 301.434 1.847 10 0 DDAEMP [NH3+]C[C@]1([NH2+]CCCO)CCc2cc(Br)ccc2C1 ZINC000087929832 185237695 /nfs/dbraw/zinc/23/76/95/185237695.db2.gz DHQGTOZTTIXQGR-AWEZNQCLSA-N 2 1 313.239 1.607 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000157545227 290729660 /nfs/dbraw/zinc/72/96/60/290729660.db2.gz KBKYRUANOGJYTE-KBPBESRZSA-N 2 1 309.458 1.857 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000245412716 354352744 /nfs/dbraw/zinc/35/27/44/354352744.db2.gz AWOJCUNHUKAACV-NVXWUHKLSA-N 2 1 301.434 1.816 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000245412716 354352745 /nfs/dbraw/zinc/35/27/45/354352745.db2.gz AWOJCUNHUKAACV-NVXWUHKLSA-N 2 1 301.434 1.816 10 0 DDAEMP [NH3+][C@H](c1nc(CCC[NH+]2CCCCC2)no1)C1CCOCC1 ZINC000328656893 354560512 /nfs/dbraw/zinc/56/05/12/354560512.db2.gz ZTJJITQEGPIZRT-HNNXBMFYSA-N 2 1 308.426 1.915 10 0 DDAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094011845 193338575 /nfs/dbraw/zinc/33/85/75/193338575.db2.gz DKWMIHMIKRGSSM-CABCVRRESA-N 2 1 302.484 1.664 10 0 DDAEMP COCCC[N@H+](CCOC)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094424979 193369216 /nfs/dbraw/zinc/36/92/16/193369216.db2.gz GOJSVXXDMGMKPI-MRXNPFEDSA-N 2 1 302.459 1.646 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094424979 193369218 /nfs/dbraw/zinc/36/92/18/193369218.db2.gz GOJSVXXDMGMKPI-MRXNPFEDSA-N 2 1 302.459 1.646 10 0 DDAEMP C[NH+]1CCN([C@@H](C[NH3+])c2cc(Br)ccc2F)CC1 ZINC000022163883 182311770 /nfs/dbraw/zinc/31/17/70/182311770.db2.gz RAXJYHUSCKRVAB-ZDUSSCGKSA-N 2 1 316.218 1.835 10 0 DDAEMP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000040716249 183122533 /nfs/dbraw/zinc/12/25/33/183122533.db2.gz AFBFREPNKIKWDT-UKRRQHHQSA-N 2 1 311.451 1.469 10 0 DDAEMP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040716249 183122534 /nfs/dbraw/zinc/12/25/34/183122534.db2.gz AFBFREPNKIKWDT-UKRRQHHQSA-N 2 1 311.451 1.469 10 0 DDAEMP Cc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C1CC1 ZINC000105862735 194150458 /nfs/dbraw/zinc/15/04/58/194150458.db2.gz QWFMMIKPUGRCEO-CYBMUJFWSA-N 2 1 321.469 1.446 10 0 DDAEMP Cc1nnc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C1CC1 ZINC000105862735 194150459 /nfs/dbraw/zinc/15/04/59/194150459.db2.gz QWFMMIKPUGRCEO-CYBMUJFWSA-N 2 1 321.469 1.446 10 0 DDAEMP NNc1[nH+]cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000062985120 184264818 /nfs/dbraw/zinc/26/48/18/184264818.db2.gz DLLMNKXVWQIDQE-NSHDSACASA-N 2 1 309.801 1.331 10 0 DDAEMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503719135 257208509 /nfs/dbraw/zinc/20/85/09/257208509.db2.gz YZPABFKWOHDFQF-IRXDYDNUSA-N 2 1 307.413 1.272 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638300085 422814306 /nfs/dbraw/zinc/81/43/06/422814306.db2.gz DWANXQPWLITJHA-PBHICJAKSA-N 2 1 305.422 1.002 10 0 DDAEMP CCN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@H+](C)CCN3C)n1 ZINC000067673639 407279293 /nfs/dbraw/zinc/27/92/93/407279293.db2.gz INYFYIJJFNORMJ-UHFFFAOYSA-N 2 1 318.469 1.149 10 0 DDAEMP CCN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@@H+](C)CCN3C)n1 ZINC000067673639 407279295 /nfs/dbraw/zinc/27/92/95/407279295.db2.gz INYFYIJJFNORMJ-UHFFFAOYSA-N 2 1 318.469 1.149 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000113617257 407518897 /nfs/dbraw/zinc/51/88/97/407518897.db2.gz GETJKKVGOKMCME-GDBMZVCRSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000113617257 407518900 /nfs/dbraw/zinc/51/89/00/407518900.db2.gz GETJKKVGOKMCME-GDBMZVCRSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000113617257 407518905 /nfs/dbraw/zinc/51/89/05/407518905.db2.gz GETJKKVGOKMCME-GDBMZVCRSA-N 2 1 308.470 1.739 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000261894474 407660519 /nfs/dbraw/zinc/66/05/19/407660519.db2.gz GZQOVBMWHXOWPK-XQQFMLRXSA-N 2 1 309.376 1.227 10 0 DDAEMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261990094 407703790 /nfs/dbraw/zinc/70/37/90/407703790.db2.gz SNCJQIKRZILIEC-KZNAEPCWSA-N 2 1 317.433 1.892 10 0 DDAEMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1=O ZINC000262027733 407718162 /nfs/dbraw/zinc/71/81/62/407718162.db2.gz XFWHUTMZJRBYKO-KBUPBQIOSA-N 2 1 309.454 1.133 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000262266607 407777961 /nfs/dbraw/zinc/77/79/61/407777961.db2.gz JXHQJMRGJQKLBC-WMLDXEAASA-N 2 1 319.449 1.651 10 0 DDAEMP CC[C@@H]1CN(C(=O)NCC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000117468580 407838455 /nfs/dbraw/zinc/83/84/55/407838455.db2.gz JIUAHLIYTHDUJM-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000153704753 407883886 /nfs/dbraw/zinc/88/38/86/407883886.db2.gz NQLRHICLWSXOKL-SFHVURJKSA-N 2 1 306.450 1.982 10 0 DDAEMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000153704753 407883889 /nfs/dbraw/zinc/88/38/89/407883889.db2.gz NQLRHICLWSXOKL-SFHVURJKSA-N 2 1 306.450 1.982 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000173642763 407890382 /nfs/dbraw/zinc/89/03/82/407890382.db2.gz DLVYINZFQFSGEJ-NVXWUHKLSA-N 2 1 320.481 1.881 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245659664 408037387 /nfs/dbraw/zinc/03/73/87/408037387.db2.gz CZGCHIMLUDHCJG-BBWFWOEESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@H+]1C1CC1 ZINC000246179085 408166807 /nfs/dbraw/zinc/16/68/07/408166807.db2.gz GWMRQRUCYSONFG-IXYNUQLISA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179085 408166814 /nfs/dbraw/zinc/16/68/14/408166814.db2.gz GWMRQRUCYSONFG-IXYNUQLISA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179085 408166822 /nfs/dbraw/zinc/16/68/22/408166822.db2.gz GWMRQRUCYSONFG-IXYNUQLISA-N 2 1 306.454 1.490 10 0 DDAEMP CCC[C@@H](C(=O)OCC)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246685562 408317050 /nfs/dbraw/zinc/31/70/50/408317050.db2.gz HWFRTYISJNFZPZ-HOCLYGCPSA-N 2 1 314.470 1.743 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173959532 162382362 /nfs/dbraw/zinc/38/23/62/162382362.db2.gz GXDKEIDVQPZKIQ-ARFHVFGLSA-N 2 1 309.454 1.040 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000184235607 408576747 /nfs/dbraw/zinc/57/67/47/408576747.db2.gz XAAYSWUXYWHFBS-HNNXBMFYSA-N 2 1 311.470 1.465 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000184235607 408576750 /nfs/dbraw/zinc/57/67/50/408576750.db2.gz XAAYSWUXYWHFBS-HNNXBMFYSA-N 2 1 311.470 1.465 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000248906734 408658204 /nfs/dbraw/zinc/65/82/04/408658204.db2.gz MBFUZMABOMYCPV-MAUKXSAKSA-N 2 1 312.498 1.952 10 0 DDAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2COCCOC2)cc1 ZINC000399616750 418764376 /nfs/dbraw/zinc/76/43/76/418764376.db2.gz HDVMVLJHWNFNAQ-BYICEURKSA-N 2 1 302.418 1.512 10 0 DDAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2COCCOC2)cc1 ZINC000399616750 418764377 /nfs/dbraw/zinc/76/43/77/418764377.db2.gz HDVMVLJHWNFNAQ-BYICEURKSA-N 2 1 302.418 1.512 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638836197 423148829 /nfs/dbraw/zinc/14/88/29/423148829.db2.gz RLRTVBBBCHJRLB-PVAVHDDUSA-N 2 1 303.450 1.998 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245577 424619665 /nfs/dbraw/zinc/61/96/65/424619665.db2.gz SJDZTTOYUUNZHI-NXHRZFHOSA-N 2 1 315.461 1.965 10 0 DDAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000247088058 282034310 /nfs/dbraw/zinc/03/43/10/282034310.db2.gz PQENNKBILUNHRO-JKSUJKDBSA-N 2 1 319.405 1.827 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(OC(F)F)cc1C ZINC000263110324 484274744 /nfs/dbraw/zinc/27/47/44/484274744.db2.gz AFPTYBNYBLUANN-STQMWFEESA-N 2 1 300.349 1.575 10 0 DDAEMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000103462271 696614520 /nfs/dbraw/zinc/61/45/20/696614520.db2.gz YVOYGYNQFOUQBL-GJZGRUSLSA-N 2 1 305.422 1.169 10 0 DDAEMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000103462271 696614523 /nfs/dbraw/zinc/61/45/23/696614523.db2.gz YVOYGYNQFOUQBL-GJZGRUSLSA-N 2 1 305.422 1.169 10 0 DDAEMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098106 709213082 /nfs/dbraw/zinc/21/30/82/709213082.db2.gz ZXMPZKZMERVUDC-SRABZTEZSA-N 2 1 321.469 1.428 10 0 DDAEMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098106 709213083 /nfs/dbraw/zinc/21/30/83/709213083.db2.gz ZXMPZKZMERVUDC-SRABZTEZSA-N 2 1 321.469 1.428 10 0 DDAEMP CCC[NH2+]C[C@@H](C)S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092680026 185333398 /nfs/dbraw/zinc/33/33/98/185333398.db2.gz IOXGKVUHNGLWFC-KGLIPLIRSA-N 2 1 305.488 1.120 10 0 DDAEMP C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000092633973 185330553 /nfs/dbraw/zinc/33/05/53/185330553.db2.gz MONVGWXHFYXNME-CQSZACIVSA-N 2 1 311.451 1.121 10 0 DDAEMP Cc1c[nH+]c(N)c(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675078828 539562917 /nfs/dbraw/zinc/56/29/17/539562917.db2.gz UHNVBYCMWPVXSA-LBPRGKRZSA-N 2 1 304.394 1.934 10 0 DDAEMP CCC(CC)[N@H+](CCOC)[C@H](C[NH3+])CC(=O)N(CC)CC ZINC000091322836 193039709 /nfs/dbraw/zinc/03/97/09/193039709.db2.gz HEAHZTVZQOSABO-HNNXBMFYSA-N 2 1 301.475 1.709 10 0 DDAEMP CCC(CC)[N@@H+](CCOC)[C@H](C[NH3+])CC(=O)N(CC)CC ZINC000091322836 193039713 /nfs/dbraw/zinc/03/97/13/193039713.db2.gz HEAHZTVZQOSABO-HNNXBMFYSA-N 2 1 301.475 1.709 10 0 DDAEMP C[NH2+][C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000262310255 203257966 /nfs/dbraw/zinc/25/79/66/203257966.db2.gz CUXFQNPSTJBIBZ-INIZCTEOSA-N 2 1 315.421 1.423 10 0 DDAEMP CC[NH2+][C@@]1(CO)CCC[C@@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093783170 193307613 /nfs/dbraw/zinc/30/76/13/193307613.db2.gz HYOMQLGUQQIIGD-CVEARBPZSA-N 2 1 302.459 1.255 10 0 DDAEMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634652 193386418 /nfs/dbraw/zinc/38/64/18/193386418.db2.gz RPVYAJPNJGXPKZ-CVEARBPZSA-N 2 1 310.463 1.933 10 0 DDAEMP CC[NH2+]CCCCS(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094445774 193371987 /nfs/dbraw/zinc/37/19/87/193371987.db2.gz OLFQXAANQDYCGC-GJZGRUSLSA-N 2 1 317.499 1.265 10 0 DDAEMP CC[NH2+]CCCCS(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094445774 193371989 /nfs/dbraw/zinc/37/19/89/193371989.db2.gz OLFQXAANQDYCGC-GJZGRUSLSA-N 2 1 317.499 1.265 10 0 DDAEMP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)NC ZINC000111145594 194395199 /nfs/dbraw/zinc/39/51/99/194395199.db2.gz DFLNAGPQTGZBLW-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP CN(Cc1ccc(Br)cc1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990416 184199797 /nfs/dbraw/zinc/19/97/97/184199797.db2.gz NYHGLNVYJLQBIU-AWEZNQCLSA-N 2 1 312.255 1.914 10 0 DDAEMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000063178195 184276604 /nfs/dbraw/zinc/27/66/04/184276604.db2.gz CSETUJKPZPGIPW-DZGCQCFKSA-N 2 1 307.463 1.986 10 0 DDAEMP O=C1[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2CN1CC[NH+]1CCCC1 ZINC000247812845 257118351 /nfs/dbraw/zinc/11/83/51/257118351.db2.gz BMQWVXWNWJYIKP-HZPDHXFCSA-N 2 1 303.406 1.266 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000123442548 195583036 /nfs/dbraw/zinc/58/30/36/195583036.db2.gz PTEGKTKFSUSESM-HOCLYGCPSA-N 2 1 310.486 1.746 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185795545 407505538 /nfs/dbraw/zinc/50/55/38/407505538.db2.gz ZRRVYBOYBUMTRY-HNNXBMFYSA-N 2 1 310.486 1.892 10 0 DDAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797178 407620661 /nfs/dbraw/zinc/62/06/61/407620661.db2.gz IPSZVMWYPOYWFO-GDBMZVCRSA-N 2 1 317.433 1.446 10 0 DDAEMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)CC1 ZINC000262059465 407726844 /nfs/dbraw/zinc/72/68/44/407726844.db2.gz ASONYUCEZRDFOG-ZACQAIPSSA-N 2 1 323.481 1.334 10 0 DDAEMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262142465 407750719 /nfs/dbraw/zinc/75/07/19/407750719.db2.gz HHKPJWPKABKXQL-ILXRZTDVSA-N 2 1 311.470 1.380 10 0 DDAEMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262142465 407750726 /nfs/dbraw/zinc/75/07/26/407750726.db2.gz HHKPJWPKABKXQL-ILXRZTDVSA-N 2 1 311.470 1.380 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn3ccccc23)CC1 ZINC000179517332 407800052 /nfs/dbraw/zinc/80/00/52/407800052.db2.gz PNAJDPVFLFMKEE-OAHLLOKOSA-N 2 1 316.449 1.859 10 0 DDAEMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263204799 408056360 /nfs/dbraw/zinc/05/63/60/408056360.db2.gz JPNQMHJPRPFUPB-DGCLKSJQSA-N 2 1 314.813 1.417 10 0 DDAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263197871 408054356 /nfs/dbraw/zinc/05/43/56/408054356.db2.gz IRNCEPCVZIKWSL-IAGOWNOFSA-N 2 1 305.466 1.315 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246243972 408192680 /nfs/dbraw/zinc/19/26/80/408192680.db2.gz JBLUQWIYMOYUBB-HRCADAONSA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246243972 408192685 /nfs/dbraw/zinc/19/26/85/408192685.db2.gz JBLUQWIYMOYUBB-HRCADAONSA-N 2 1 311.470 1.191 10 0 DDAEMP Cc1ccc(CN2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)o1 ZINC000121035303 408155119 /nfs/dbraw/zinc/15/51/19/408155119.db2.gz HNDVDUHVZIOESM-GOSISDBHSA-N 2 1 321.465 1.815 10 0 DDAEMP Cc1ccc(CN2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)o1 ZINC000121035303 408155130 /nfs/dbraw/zinc/15/51/30/408155130.db2.gz HNDVDUHVZIOESM-GOSISDBHSA-N 2 1 321.465 1.815 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000246315488 408216259 /nfs/dbraw/zinc/21/62/59/408216259.db2.gz MQENGGIQEUMDKH-FMKPAKJESA-N 2 1 306.454 1.491 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[NH+]1C1CC1 ZINC000246315488 408216266 /nfs/dbraw/zinc/21/62/66/408216266.db2.gz MQENGGIQEUMDKH-FMKPAKJESA-N 2 1 306.454 1.491 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[NH+]1C1CC1 ZINC000246315488 408216270 /nfs/dbraw/zinc/21/62/70/408216270.db2.gz MQENGGIQEUMDKH-FMKPAKJESA-N 2 1 306.454 1.491 10 0 DDAEMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171902932 162245847 /nfs/dbraw/zinc/24/58/47/162245847.db2.gz DMWFSZPIDWXWCR-INIZCTEOSA-N 2 1 306.454 1.350 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000173938393 162381209 /nfs/dbraw/zinc/38/12/09/162381209.db2.gz ZZIVZIDTSYCKED-CYBMUJFWSA-N 2 1 308.430 1.051 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000250303829 408777044 /nfs/dbraw/zinc/77/70/44/408777044.db2.gz ZMFNENOBVRFULF-HOTGVXAUSA-N 2 1 310.486 1.890 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000189985734 222063875 /nfs/dbraw/zinc/06/38/75/222063875.db2.gz BWOGPSVOIHEIAO-GJZGRUSLSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000245424290 279298118 /nfs/dbraw/zinc/29/81/18/279298118.db2.gz RTPDPPZZPJZYGN-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000245424290 279298120 /nfs/dbraw/zinc/29/81/20/279298120.db2.gz RTPDPPZZPJZYGN-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000245424290 279298122 /nfs/dbraw/zinc/29/81/22/279298122.db2.gz RTPDPPZZPJZYGN-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[N@@H+](CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C1CC1 ZINC000127845554 281288065 /nfs/dbraw/zinc/28/80/65/281288065.db2.gz SDTSNSYWVOFQDP-CQSZACIVSA-N 2 1 311.470 1.022 10 0 DDAEMP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000246623751 282002401 /nfs/dbraw/zinc/00/24/01/282002401.db2.gz WDDUOJHUBZWHCK-HOTGVXAUSA-N 2 1 311.470 1.022 10 0 DDAEMP CCOC(C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)OCC ZINC000184967632 697511267 /nfs/dbraw/zinc/51/12/67/697511267.db2.gz YFOAZFQGPQEQTB-CQSZACIVSA-N 2 1 302.459 1.410 10 0 DDAEMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248900698 698383769 /nfs/dbraw/zinc/38/37/69/698383769.db2.gz YZHUKXILLCGERP-NPJQDHAYSA-N 2 1 311.470 1.377 10 0 DDAEMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248900698 698383772 /nfs/dbraw/zinc/38/37/72/698383772.db2.gz YZHUKXILLCGERP-NPJQDHAYSA-N 2 1 311.470 1.377 10 0 DDAEMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ncoc1C[NH3+] ZINC000721423136 699313484 /nfs/dbraw/zinc/31/34/84/699313484.db2.gz BOKNWGQFWMNGTL-GFCCVEGCSA-N 2 1 302.378 1.384 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ncoc1C[NH3+] ZINC000721423136 699313486 /nfs/dbraw/zinc/31/34/86/699313486.db2.gz BOKNWGQFWMNGTL-GFCCVEGCSA-N 2 1 302.378 1.384 10 0 DDAEMP C[NH+](C)C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000116787419 282138940 /nfs/dbraw/zinc/13/89/40/282138940.db2.gz QBCQFWYEVOMQKG-HOTGVXAUSA-N 2 1 305.422 1.078 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092680031 185333362 /nfs/dbraw/zinc/33/33/62/185333362.db2.gz WVEICNKNFICLIN-LBPRGKRZSA-N 2 1 317.480 1.312 10 0 DDAEMP C[N@H+]1CC[C@@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000093387480 193241626 /nfs/dbraw/zinc/24/16/26/193241626.db2.gz MIBUVTSRJATERV-CYBMUJFWSA-N 2 1 309.211 1.868 10 0 DDAEMP CC[NH2+][C@]1(CO)CCC[C@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093783167 193307546 /nfs/dbraw/zinc/30/75/46/193307546.db2.gz HYOMQLGUQQIIGD-JKSUJKDBSA-N 2 1 302.459 1.255 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CC[C@@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831878 193315324 /nfs/dbraw/zinc/31/53/24/193315324.db2.gz UCXPIKYYRHZDOW-DMDPSCGWSA-N 2 1 307.360 1.647 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CC[C@@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831878 193315327 /nfs/dbraw/zinc/31/53/27/193315327.db2.gz UCXPIKYYRHZDOW-DMDPSCGWSA-N 2 1 307.360 1.647 10 0 DDAEMP CS(=O)(=O)[C@H]1CCC[C@@H]([N@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634615 193386307 /nfs/dbraw/zinc/38/63/07/193386307.db2.gz PVUPVRUYUAFXGI-CABCVRRESA-N 2 1 302.484 1.936 10 0 DDAEMP CS(=O)(=O)[C@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634615 193386309 /nfs/dbraw/zinc/38/63/09/193386309.db2.gz PVUPVRUYUAFXGI-CABCVRRESA-N 2 1 302.484 1.936 10 0 DDAEMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645194 193389611 /nfs/dbraw/zinc/38/96/11/193389611.db2.gz HBMJEAKLYQMTDO-GJZGRUSLSA-N 2 1 302.484 1.664 10 0 DDAEMP CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000040716250 183123087 /nfs/dbraw/zinc/12/30/87/183123087.db2.gz AFBFREPNKIKWDT-ZFWWWQNUSA-N 2 1 311.451 1.469 10 0 DDAEMP CC[C@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000040716250 183123090 /nfs/dbraw/zinc/12/30/90/183123090.db2.gz AFBFREPNKIKWDT-ZFWWWQNUSA-N 2 1 311.451 1.469 10 0 DDAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111145911 194395794 /nfs/dbraw/zinc/39/57/94/194395794.db2.gz YVKZLTUXJLUTEU-MRXNPFEDSA-N 3 1 300.491 1.282 10 0 DDAEMP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CCCN(C)C)C(N)=O ZINC000111145911 194395796 /nfs/dbraw/zinc/39/57/96/194395796.db2.gz YVKZLTUXJLUTEU-MRXNPFEDSA-N 2 1 300.491 1.282 10 0 DDAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)CCCN(C)C)C(N)=O ZINC000111145911 194395798 /nfs/dbraw/zinc/39/57/98/194395798.db2.gz YVKZLTUXJLUTEU-MRXNPFEDSA-N 2 1 300.491 1.282 10 0 DDAEMP COCCN1CCN(Cc2cnc3c(C)cccn23)C[C@H]1C ZINC000120826073 195245646 /nfs/dbraw/zinc/24/56/46/195245646.db2.gz IUWGGQRPKISXSR-OAHLLOKOSA-N 2 1 302.422 1.795 10 0 DDAEMP CC1CC[NH+](CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113591618 407519306 /nfs/dbraw/zinc/51/93/06/407519306.db2.gz BNQLBBSCDQZHEB-HOTGVXAUSA-N 2 1 308.470 1.596 10 0 DDAEMP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261784675 407613417 /nfs/dbraw/zinc/61/34/17/407613417.db2.gz NDBDTVUBRWSTML-QGZVFWFLSA-N 2 1 317.433 1.085 10 0 DDAEMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000261864831 407647922 /nfs/dbraw/zinc/64/79/22/407647922.db2.gz WUPWFIOLGDBIKO-WBVHZDCISA-N 2 1 301.434 1.720 10 0 DDAEMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000261864831 407647926 /nfs/dbraw/zinc/64/79/26/407647926.db2.gz WUPWFIOLGDBIKO-WBVHZDCISA-N 2 1 301.434 1.720 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262342534 407806121 /nfs/dbraw/zinc/80/61/21/407806121.db2.gz IBQWBYTYSREXRH-WTTBNOFXSA-N 2 1 319.449 1.233 10 0 DDAEMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262363612 407811716 /nfs/dbraw/zinc/81/17/16/407811716.db2.gz VKANWWDVFATMBA-JHNDHUHGSA-N 2 1 317.433 1.315 10 0 DDAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262363612 407811723 /nfs/dbraw/zinc/81/17/23/407811723.db2.gz VKANWWDVFATMBA-JHNDHUHGSA-N 2 1 317.433 1.315 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000262729049 407911075 /nfs/dbraw/zinc/91/10/75/407911075.db2.gz BGTXMWRJMGORIJ-INMHGKMJSA-N 2 1 311.470 1.463 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262473171 407846467 /nfs/dbraw/zinc/84/64/67/407846467.db2.gz JKBVCWPBLUCOAZ-FPMFFAJLSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262473171 407846470 /nfs/dbraw/zinc/84/64/70/407846470.db2.gz JKBVCWPBLUCOAZ-FPMFFAJLSA-N 2 1 306.406 1.882 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245445281 407982984 /nfs/dbraw/zinc/98/29/84/407982984.db2.gz YSKZZZRJWLVOLT-CABCVRRESA-N 2 1 311.470 1.020 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245445281 407982992 /nfs/dbraw/zinc/98/29/92/407982992.db2.gz YSKZZZRJWLVOLT-CABCVRRESA-N 2 1 311.470 1.020 10 0 DDAEMP COc1sc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1Br ZINC000263211729 408058175 /nfs/dbraw/zinc/05/81/75/408058175.db2.gz KICOUEDRMVWMOK-OIBJUYFYSA-N 2 1 321.240 1.189 10 0 DDAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc(Cl)c1OC ZINC000263302847 408097929 /nfs/dbraw/zinc/09/79/29/408097929.db2.gz XIHKOKBLORURHN-CMPLNLGQSA-N 2 1 300.786 1.027 10 0 DDAEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc(Cl)c1OC ZINC000263302850 408098477 /nfs/dbraw/zinc/09/84/77/408098477.db2.gz XIHKOKBLORURHN-JQWIXIFHSA-N 2 1 300.786 1.027 10 0 DDAEMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)s2)cc1 ZINC000263302762 408098742 /nfs/dbraw/zinc/09/87/42/408098742.db2.gz XGYLTMDHLWBKTP-HIFRSBDPSA-N 2 1 303.431 1.788 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)sc1Br ZINC000263311343 408102116 /nfs/dbraw/zinc/10/21/16/408102116.db2.gz YSGCFIVAPDCWRP-PSASIEDQSA-N 2 1 305.241 1.489 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000246189440 408170363 /nfs/dbraw/zinc/17/03/63/408170363.db2.gz MJJLYYQDSHIUFK-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2ccccc2)CCN1C ZINC000175763099 408199356 /nfs/dbraw/zinc/19/93/56/408199356.db2.gz GHYNOPJBSUCGNN-NXHRZFHOSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccccc2)CC[N@@H+]1C ZINC000175763099 408199363 /nfs/dbraw/zinc/19/93/63/408199363.db2.gz GHYNOPJBSUCGNN-NXHRZFHOSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2ccccc2)CC[NH+]1C ZINC000175763099 408199382 /nfs/dbraw/zinc/19/93/82/408199382.db2.gz GHYNOPJBSUCGNN-NXHRZFHOSA-N 2 1 306.450 1.979 10 0 DDAEMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151296891 408292368 /nfs/dbraw/zinc/29/23/68/408292368.db2.gz HZBGLDSHSSCXRN-MSOLQXFVSA-N 2 1 306.450 1.681 10 0 DDAEMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171901498 162245772 /nfs/dbraw/zinc/24/57/72/162245772.db2.gz AMQNPBICGKKCAC-QGZVFWFLSA-N 2 1 316.449 1.738 10 0 DDAEMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000183304122 408376056 /nfs/dbraw/zinc/37/60/56/408376056.db2.gz VSRKPJOYLAEETO-HNNXBMFYSA-N 2 1 312.421 1.696 10 0 DDAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247601498 408497419 /nfs/dbraw/zinc/49/74/19/408497419.db2.gz UPNSEGHHPYUVAM-TWMKSMIVSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247601498 408497424 /nfs/dbraw/zinc/49/74/24/408497424.db2.gz UPNSEGHHPYUVAM-TWMKSMIVSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247601498 408497426 /nfs/dbraw/zinc/49/74/26/408497426.db2.gz UPNSEGHHPYUVAM-TWMKSMIVSA-N 2 1 322.497 1.842 10 0 DDAEMP C[N@@H+](CCOCC(F)F)C1CCN(CCn2cccn2)CC1 ZINC000189182332 163088403 /nfs/dbraw/zinc/08/84/03/163088403.db2.gz ABTVXUDULYCOBO-UHFFFAOYSA-N 2 1 316.396 1.561 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000192740820 163235833 /nfs/dbraw/zinc/23/58/33/163235833.db2.gz ZBFYDBOYGKQUEV-QZTJIDSGSA-N 2 1 308.514 1.571 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000192740820 163235834 /nfs/dbraw/zinc/23/58/34/163235834.db2.gz ZBFYDBOYGKQUEV-QZTJIDSGSA-N 2 1 308.514 1.571 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246126162 287221653 /nfs/dbraw/zinc/22/16/53/287221653.db2.gz ANGRUYHRELSXEW-KCYZZUKISA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246126162 287221654 /nfs/dbraw/zinc/22/16/54/287221654.db2.gz ANGRUYHRELSXEW-KCYZZUKISA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246126162 287221656 /nfs/dbraw/zinc/22/16/56/287221656.db2.gz ANGRUYHRELSXEW-KCYZZUKISA-N 2 1 320.481 1.880 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638835607 423147847 /nfs/dbraw/zinc/14/78/47/423147847.db2.gz MXQQPYKUAQJRFP-BPQIPLTHSA-N 2 1 315.461 1.870 10 0 DDAEMP C[N@@H+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)Cc1ccccc1 ZINC000634766118 422628573 /nfs/dbraw/zinc/62/85/73/422628573.db2.gz RTJDERQWBHAVEB-WMZOPIPTSA-N 2 1 301.434 1.624 10 0 DDAEMP COC[C@@]1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787876 423342513 /nfs/dbraw/zinc/34/25/13/423342513.db2.gz JXTKMCGPKBPOSV-CRAIPNDOSA-N 2 1 319.449 1.392 10 0 DDAEMP C[C@H]([NH3+])CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000261713369 278224574 /nfs/dbraw/zinc/22/45/74/278224574.db2.gz DOHYEOHYRBBWSX-SOUVJXGZSA-N 2 1 311.470 1.462 10 0 DDAEMP O=C(N1CC[N@@H+]2CCCC[C@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389741 484030652 /nfs/dbraw/zinc/03/06/52/484030652.db2.gz HGELXBSKOXPFHW-AAEUAGOBSA-N 2 1 305.344 1.225 10 0 DDAEMP O=C(N1CC[N@H+]2CCCC[C@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389741 484030660 /nfs/dbraw/zinc/03/06/60/484030660.db2.gz HGELXBSKOXPFHW-AAEUAGOBSA-N 2 1 305.344 1.225 10 0 DDAEMP [NH3+]C1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000422979940 534560931 /nfs/dbraw/zinc/56/09/31/534560931.db2.gz NXWQUFRFNBCXBK-DAWZGUTISA-N 3 1 303.450 1.483 10 0 DDAEMP [NH3+]C1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000422979940 534560936 /nfs/dbraw/zinc/56/09/36/534560936.db2.gz NXWQUFRFNBCXBK-DAWZGUTISA-N 3 1 303.450 1.483 10 0 DDAEMP CC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000155964412 523216764 /nfs/dbraw/zinc/21/67/64/523216764.db2.gz CQOXGWQRBYSUOZ-ZBFHGGJFSA-N 2 1 311.470 1.070 10 0 DDAEMP C/C=C(/C)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C2CC2)C1 ZINC000229859208 697780173 /nfs/dbraw/zinc/78/01/73/697780173.db2.gz OPOCUPMBITVPTP-DPHCZHQRSA-N 2 1 316.449 1.984 10 0 DDAEMP C/C=C(/C)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C2CC2)C1 ZINC000229859208 697780176 /nfs/dbraw/zinc/78/01/76/697780176.db2.gz OPOCUPMBITVPTP-DPHCZHQRSA-N 2 1 316.449 1.984 10 0 DDAEMP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554195 698427806 /nfs/dbraw/zinc/42/78/06/698427806.db2.gz UAXUXBAJMMZESG-IXDOHACOSA-N 2 1 301.434 1.847 10 0 DDAEMP O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621709 699283122 /nfs/dbraw/zinc/28/31/22/699283122.db2.gz SMTNLNNYIAKVQQ-XCDZQEORSA-N 2 1 316.445 1.779 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000249461281 282157519 /nfs/dbraw/zinc/15/75/19/282157519.db2.gz ZMUCUTVGEARTSK-CVEARBPZSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000249461281 282157520 /nfs/dbraw/zinc/15/75/20/282157520.db2.gz ZMUCUTVGEARTSK-CVEARBPZSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000249461281 282157521 /nfs/dbraw/zinc/15/75/21/282157521.db2.gz ZMUCUTVGEARTSK-CVEARBPZSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@]1(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000079517364 185173720 /nfs/dbraw/zinc/17/37/20/185173720.db2.gz STASFHQOGKVDAM-MRXNPFEDSA-N 2 1 307.463 1.925 10 0 DDAEMP C[C@]1(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000079517364 185173721 /nfs/dbraw/zinc/17/37/21/185173721.db2.gz STASFHQOGKVDAM-MRXNPFEDSA-N 2 1 307.463 1.925 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246338729 282182082 /nfs/dbraw/zinc/18/20/82/282182082.db2.gz KZTVISGQZHNSFF-IRXDYDNUSA-N 2 1 301.434 1.466 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246338729 282182083 /nfs/dbraw/zinc/18/20/83/282182083.db2.gz KZTVISGQZHNSFF-IRXDYDNUSA-N 2 1 301.434 1.466 10 0 DDAEMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[NH+]1CCSCC1 ZINC000132898406 539189931 /nfs/dbraw/zinc/18/99/31/539189931.db2.gz YVJZYMRMNDHYMM-HOCLYGCPSA-N 2 1 321.490 1.843 10 0 DDAEMP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000092626652 185329860 /nfs/dbraw/zinc/32/98/60/185329860.db2.gz CHPGBUOPSADLDA-OAHLLOKOSA-N 2 1 311.451 1.001 10 0 DDAEMP CC(C)[NH2+]CCCCS(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000092679042 185333650 /nfs/dbraw/zinc/33/36/50/185333650.db2.gz IPCUSZPAIVCATL-CQSZACIVSA-N 2 1 305.488 1.120 10 0 DDAEMP OCCN1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000384744775 354630050 /nfs/dbraw/zinc/63/00/50/354630050.db2.gz RGXVISYPRLFDSS-LJQANCHMSA-N 2 1 317.477 1.697 10 0 DDAEMP C[C@H](CC[NH3+])CCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525639 192283956 /nfs/dbraw/zinc/28/39/56/192283956.db2.gz KUZSDRTXSQCRES-JTQLQIEISA-N 2 1 305.348 1.878 10 0 DDAEMP C[C@H](CC[NH3+])CCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525639 192283958 /nfs/dbraw/zinc/28/39/58/192283958.db2.gz KUZSDRTXSQCRES-JTQLQIEISA-N 2 1 305.348 1.878 10 0 DDAEMP CC[NH2+]CCCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542817 192288339 /nfs/dbraw/zinc/28/83/39/192288339.db2.gz CTOFMCWXOMDSPN-UHFFFAOYSA-N 2 1 305.348 1.892 10 0 DDAEMP CC[NH2+]CCCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542817 192288342 /nfs/dbraw/zinc/28/83/42/192288342.db2.gz CTOFMCWXOMDSPN-UHFFFAOYSA-N 2 1 305.348 1.892 10 0 DDAEMP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195299161 201375712 /nfs/dbraw/zinc/37/57/12/201375712.db2.gz ZHMGLUBSNQWNPO-KRWDZBQOSA-N 2 1 318.465 1.704 10 0 DDAEMP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195299161 201375715 /nfs/dbraw/zinc/37/57/15/201375715.db2.gz ZHMGLUBSNQWNPO-KRWDZBQOSA-N 2 1 318.465 1.704 10 0 DDAEMP CCN(C)C(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195299161 201375717 /nfs/dbraw/zinc/37/57/17/201375717.db2.gz ZHMGLUBSNQWNPO-KRWDZBQOSA-N 2 1 318.465 1.704 10 0 DDAEMP CCN(C)C(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195299161 201375719 /nfs/dbraw/zinc/37/57/19/201375719.db2.gz ZHMGLUBSNQWNPO-KRWDZBQOSA-N 2 1 318.465 1.704 10 0 DDAEMP C[C@@H]([NH3+])c1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000090950623 192961997 /nfs/dbraw/zinc/96/19/97/192961997.db2.gz YDXAPPHENIOBIB-NEPJUHHUSA-N 2 1 308.451 1.863 10 0 DDAEMP C[C@H](C[C@H]1CCCC[NH2+]1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000093486043 193257915 /nfs/dbraw/zinc/25/79/15/193257915.db2.gz VLQKHKTUMSTFHL-TZMCWYRMSA-N 2 1 311.451 1.344 10 0 DDAEMP CC1(C)CSC[C@H]([N@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000094490237 193373563 /nfs/dbraw/zinc/37/35/63/193373563.db2.gz NSHLWSNFWPVXOJ-ZIAGYGMSSA-N 2 1 311.495 1.414 10 0 DDAEMP O=C([C@@H]1CSC[NH2+]1)N1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096268275 284516245 /nfs/dbraw/zinc/51/62/45/284516245.db2.gz MKDBEMDVNWILFN-HNNXBMFYSA-N 2 1 317.458 1.313 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245591074 408020589 /nfs/dbraw/zinc/02/05/89/408020589.db2.gz BBRAGOJGTFVJHB-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245591074 408020595 /nfs/dbraw/zinc/02/05/95/408020595.db2.gz BBRAGOJGTFVJHB-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000245591074 408020602 /nfs/dbraw/zinc/02/06/02/408020602.db2.gz BBRAGOJGTFVJHB-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263097192 408023088 /nfs/dbraw/zinc/02/30/88/408023088.db2.gz YYXWEKVNRKUHTE-SNPRPXQTSA-N 2 1 323.387 1.935 10 0 DDAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(SC)cc1OC ZINC000263318490 408105196 /nfs/dbraw/zinc/10/51/96/408105196.db2.gz ZVJBZFQUTBVXJK-NEPJUHHUSA-N 2 1 312.435 1.096 10 0 DDAEMP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ncn1 ZINC000246441302 408256806 /nfs/dbraw/zinc/25/68/06/408256806.db2.gz ONIXSRLPSFWEIY-RRFJBIMHSA-N 2 1 318.469 1.559 10 0 DDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246461006 408264320 /nfs/dbraw/zinc/26/43/20/408264320.db2.gz PJAFOSFHWWPQFE-FMKPAKJESA-N 2 1 321.469 1.856 10 0 DDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246461006 408264325 /nfs/dbraw/zinc/26/43/25/408264325.db2.gz PJAFOSFHWWPQFE-FMKPAKJESA-N 2 1 321.469 1.856 10 0 DDAEMP C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246716741 408322374 /nfs/dbraw/zinc/32/23/74/408322374.db2.gz XHMJNCCPCDKMHD-QZWWFDLISA-N 2 1 323.481 1.191 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166607421 162168820 /nfs/dbraw/zinc/16/88/20/162168820.db2.gz ZRJDSGMOJVGPCF-XHSDSOJGSA-N 2 1 310.486 1.131 10 0 DDAEMP CCC[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166607534 162169420 /nfs/dbraw/zinc/16/94/20/162169420.db2.gz ZRJDSGMOJVGPCF-OWCLPIDISA-N 2 1 310.486 1.131 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000247098308 408406304 /nfs/dbraw/zinc/40/63/04/408406304.db2.gz IALISERXIRORQR-CRAIPNDOSA-N 2 1 306.450 1.745 10 0 DDAEMP CC(C)[NH+](CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)C(C)C ZINC000247479123 408479113 /nfs/dbraw/zinc/47/91/13/408479113.db2.gz SLHUVUNPIZADMQ-HOTGVXAUSA-N 2 1 310.486 1.983 10 0 DDAEMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000496104086 421134830 /nfs/dbraw/zinc/13/48/30/421134830.db2.gz JMSJMZWREYORCR-GDBMZVCRSA-N 2 1 317.433 1.985 10 0 DDAEMP [NH3+]C1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC000261775116 295201307 /nfs/dbraw/zinc/20/13/07/295201307.db2.gz GZLPULDHOBEZLK-UHFFFAOYSA-N 2 1 317.433 1.229 10 0 DDAEMP COCCN1CCN(C(=O)[C@H]2NCCc3ccccc32)C[C@H]1C ZINC000168032907 298217797 /nfs/dbraw/zinc/21/77/97/298217797.db2.gz RSWJEAGFAFKMOV-PBHICJAKSA-N 2 1 317.433 1.053 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000227455110 484161308 /nfs/dbraw/zinc/16/13/08/484161308.db2.gz QLGBRFHDCWFCJI-NQBHXWOUSA-N 2 1 305.344 1.224 10 0 DDAEMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccccc1 ZINC000262194661 484265138 /nfs/dbraw/zinc/26/51/38/484265138.db2.gz ZEBXSWHRMULYCB-HOTGVXAUSA-N 2 1 302.422 1.387 10 0 DDAEMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccccc1 ZINC000262194661 484265144 /nfs/dbraw/zinc/26/51/44/484265144.db2.gz ZEBXSWHRMULYCB-HOTGVXAUSA-N 2 1 302.422 1.387 10 0 DDAEMP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309773567 484379443 /nfs/dbraw/zinc/37/94/43/484379443.db2.gz IHRPPAAIFTYJJH-ZSYWTGECSA-N 2 1 318.461 1.884 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000157927168 519695107 /nfs/dbraw/zinc/69/51/07/519695107.db2.gz JRDBTQWUNYXIEL-OWCLPIDISA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000157927168 519695109 /nfs/dbraw/zinc/69/51/09/519695109.db2.gz JRDBTQWUNYXIEL-OWCLPIDISA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000157927168 519695111 /nfs/dbraw/zinc/69/51/11/519695111.db2.gz JRDBTQWUNYXIEL-OWCLPIDISA-N 2 1 310.486 1.746 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000174231912 535449600 /nfs/dbraw/zinc/44/96/00/535449600.db2.gz YGPTZRJUNGANEP-MRXNPFEDSA-N 2 1 310.486 1.892 10 0 DDAEMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261944370 698446652 /nfs/dbraw/zinc/44/66/52/698446652.db2.gz NKMGOWYMKDCKLS-BBWFWOEESA-N 2 1 317.433 1.293 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@@H]1C(C)C ZINC000888097741 709212615 /nfs/dbraw/zinc/21/26/15/709212615.db2.gz NSTSURPEHZFDBH-BDXSIMOUSA-N 2 1 320.481 1.688 10 0 DDAEMP C[C@]1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)COC[C@H]1[NH3+] ZINC000090606521 185306529 /nfs/dbraw/zinc/30/65/29/185306529.db2.gz FOGXLMMTAAIKPD-CVEARBPZSA-N 2 1 309.841 1.826 10 0 DDAEMP CCN1CC[NH+](CCCN2Cc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000071682986 191007471 /nfs/dbraw/zinc/00/74/71/191007471.db2.gz LMFKBEIRROEEJB-SFHVURJKSA-N 2 1 302.466 1.530 10 0 DDAEMP CN1CCN(C(=O)c2ccn3cncc3c2)C[C@H]1c1ncc[nH]1 ZINC000328621189 354548584 /nfs/dbraw/zinc/54/85/84/354548584.db2.gz HNPNODVVBAXPRY-AWEZNQCLSA-N 2 1 310.361 1.186 10 0 DDAEMP CC[N@@H+]1CCO[C@@H](CN(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000092080288 193155451 /nfs/dbraw/zinc/15/54/51/193155451.db2.gz LRNLHDDXGOLPFZ-CYBMUJFWSA-N 2 1 309.376 1.323 10 0 DDAEMP CC[N@H+]1CCO[C@@H](CN(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000092080288 193155453 /nfs/dbraw/zinc/15/54/53/193155453.db2.gz LRNLHDDXGOLPFZ-CYBMUJFWSA-N 2 1 309.376 1.323 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OCC)CCC[C@@H]1CC[N@H+](C)CCOC ZINC000093592033 193271736 /nfs/dbraw/zinc/27/17/36/193271736.db2.gz MQLCWPFCHXZMNC-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OCC)CCC[C@@H]1CC[N@@H+](C)CCOC ZINC000093592033 193271737 /nfs/dbraw/zinc/27/17/37/193271737.db2.gz MQLCWPFCHXZMNC-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+]CCCCS(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094445775 193370899 /nfs/dbraw/zinc/37/08/99/193370899.db2.gz OLFQXAANQDYCGC-LSDHHAIUSA-N 2 1 317.499 1.265 10 0 DDAEMP CC[NH2+]CCCCS(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094445775 193370900 /nfs/dbraw/zinc/37/09/00/193370900.db2.gz OLFQXAANQDYCGC-LSDHHAIUSA-N 2 1 317.499 1.265 10 0 DDAEMP COCCC[N@H+](CCOC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489383 193374083 /nfs/dbraw/zinc/37/40/83/193374083.db2.gz IVLKYSLKAQSBEZ-HNNXBMFYSA-N 2 1 304.500 1.832 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489383 193374086 /nfs/dbraw/zinc/37/40/86/193374086.db2.gz IVLKYSLKAQSBEZ-HNNXBMFYSA-N 2 1 304.500 1.832 10 0 DDAEMP C[NH+](C)CCC[NH2+]Cc1c(OCC(N)=O)ccc2ccccc21 ZINC000020872813 182250755 /nfs/dbraw/zinc/25/07/55/182250755.db2.gz DHANNHJUNMOVBW-UHFFFAOYSA-N 2 1 315.417 1.745 10 0 DDAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000173290976 248332724 /nfs/dbraw/zinc/33/27/24/248332724.db2.gz CMZLXKOSBCWFFR-LSDHHAIUSA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000173290976 248332728 /nfs/dbraw/zinc/33/27/28/248332728.db2.gz CMZLXKOSBCWFFR-LSDHHAIUSA-N 2 1 319.449 1.275 10 0 DDAEMP O=C([C@H]1CCC[N@H+]1Cc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000040508133 183085392 /nfs/dbraw/zinc/08/53/92/183085392.db2.gz NGNDZPFZCOWPTI-OAHLLOKOSA-N 2 1 307.825 1.736 10 0 DDAEMP O=C([C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000040508133 183085393 /nfs/dbraw/zinc/08/53/93/183085393.db2.gz NGNDZPFZCOWPTI-OAHLLOKOSA-N 2 1 307.825 1.736 10 0 DDAEMP CCC[N@H+](CC(=O)NCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748514 183128584 /nfs/dbraw/zinc/12/85/84/183128584.db2.gz JLKQVXAJFIDUNB-FOSCPWQOSA-N 2 1 307.360 1.660 10 0 DDAEMP CCC[N@@H+](CC(=O)NCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748514 183128587 /nfs/dbraw/zinc/12/85/87/183128587.db2.gz JLKQVXAJFIDUNB-FOSCPWQOSA-N 2 1 307.360 1.660 10 0 DDAEMP CCc1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862521 194149812 /nfs/dbraw/zinc/14/98/12/194149812.db2.gz UFFDHBVYZFQIIQ-CHWSQXEVSA-N 2 1 310.442 1.718 10 0 DDAEMP CCc1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862521 194149814 /nfs/dbraw/zinc/14/98/14/194149814.db2.gz UFFDHBVYZFQIIQ-CHWSQXEVSA-N 2 1 310.442 1.718 10 0 DDAEMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000248071508 257110087 /nfs/dbraw/zinc/11/00/87/257110087.db2.gz YHJWVJBUGLKXFQ-GVDBMIGSSA-N 2 1 321.465 1.184 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000121642319 195321927 /nfs/dbraw/zinc/32/19/27/195321927.db2.gz IZFWYFWIWOMRFK-GOEBONIOSA-N 2 1 321.469 2.000 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121642319 195321928 /nfs/dbraw/zinc/32/19/28/195321928.db2.gz IZFWYFWIWOMRFK-GOEBONIOSA-N 2 1 321.469 2.000 10 0 DDAEMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)nc1 ZINC000067833529 407286495 /nfs/dbraw/zinc/28/64/95/407286495.db2.gz BDTDYCIHNMGBHO-UHFFFAOYSA-N 2 1 302.466 1.856 10 0 DDAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000261624194 407556968 /nfs/dbraw/zinc/55/69/68/407556968.db2.gz CJKSOXQNRPCYIW-OIPACUDHSA-N 2 1 321.465 1.216 10 0 DDAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000261624194 407556973 /nfs/dbraw/zinc/55/69/73/407556973.db2.gz CJKSOXQNRPCYIW-OIPACUDHSA-N 2 1 321.465 1.216 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000170826866 407518311 /nfs/dbraw/zinc/51/83/11/407518311.db2.gz JSHMDXFJCYXVNJ-KRWDZBQOSA-N 2 1 318.465 1.854 10 0 DDAEMP COCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000171193062 407623740 /nfs/dbraw/zinc/62/37/40/407623740.db2.gz BYHIWPLBQPYDKT-INIZCTEOSA-N 2 1 322.453 1.167 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000261845345 407638960 /nfs/dbraw/zinc/63/89/60/407638960.db2.gz ATTCYCCEBPDRNU-CVEARBPZSA-N 2 1 323.481 1.668 10 0 DDAEMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261897996 407658941 /nfs/dbraw/zinc/65/89/41/407658941.db2.gz HIRITJWGSZBRNU-KSZLIROESA-N 3 1 309.498 1.855 10 0 DDAEMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261897998 407661186 /nfs/dbraw/zinc/66/11/86/407661186.db2.gz HIRITJWGSZBRNU-KURKYZTESA-N 3 1 309.498 1.855 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000262310096 407792683 /nfs/dbraw/zinc/79/26/83/407792683.db2.gz OYZCTIPEWGYHOI-PBHICJAKSA-N 2 1 319.449 1.508 10 0 DDAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000262529716 407859222 /nfs/dbraw/zinc/85/92/22/407859222.db2.gz PKCAFOXKNOFYOV-IHRRRGAJSA-N 2 1 306.406 1.882 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000246422754 408251333 /nfs/dbraw/zinc/25/13/33/408251333.db2.gz MARIJKSFXHDGFP-SJORKVTESA-N 2 1 322.497 1.988 10 0 DDAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)[C@H](C)C1 ZINC000246559248 408292126 /nfs/dbraw/zinc/29/21/26/408292126.db2.gz XATSDZVKLFQPID-PMPSAXMXSA-N 2 1 303.454 1.765 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247352266 408457156 /nfs/dbraw/zinc/45/71/56/408457156.db2.gz OBJHXOYTGZMDMI-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000247352266 408457161 /nfs/dbraw/zinc/45/71/61/408457161.db2.gz OBJHXOYTGZMDMI-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000247352266 408457167 /nfs/dbraw/zinc/45/71/67/408457167.db2.gz OBJHXOYTGZMDMI-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000162426508 408702042 /nfs/dbraw/zinc/70/20/42/408702042.db2.gz BIRROFIHMCJUPO-ILXRZTDVSA-N 2 1 322.453 1.910 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000162426508 408702047 /nfs/dbraw/zinc/70/20/47/408702047.db2.gz BIRROFIHMCJUPO-ILXRZTDVSA-N 2 1 322.453 1.910 10 0 DDAEMP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638513716 422937829 /nfs/dbraw/zinc/93/78/29/422937829.db2.gz NDNIXFRYYSZAQW-IRXDYDNUSA-N 2 1 319.449 1.329 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638837277 423151216 /nfs/dbraw/zinc/15/12/16/423151216.db2.gz YRXIXPQQPHZHIQ-NRSFXHEJSA-N 2 1 315.461 1.998 10 0 DDAEMP O=C(N1CC[NH+](Cc2ccccc2)CC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763225 422623985 /nfs/dbraw/zinc/62/39/85/422623985.db2.gz RIELJBXFMMOOTC-HKUYNNGSSA-N 2 1 313.445 1.721 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247004756 288302923 /nfs/dbraw/zinc/30/29/23/288302923.db2.gz KXSRRURSXOGFEG-FXUDXRNXSA-N 2 1 308.470 1.737 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000246658332 290110438 /nfs/dbraw/zinc/11/04/38/290110438.db2.gz HCBXGDPCZDAYIY-GJZGRUSLSA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000246658332 290110440 /nfs/dbraw/zinc/11/04/40/290110440.db2.gz HCBXGDPCZDAYIY-GJZGRUSLSA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1C[NH2+]C1 ZINC000262532551 298157585 /nfs/dbraw/zinc/15/75/85/298157585.db2.gz MECHACUXCPKHAH-NHYWBVRUSA-N 2 1 309.841 1.914 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000261895731 698443385 /nfs/dbraw/zinc/44/33/85/698443385.db2.gz HBZLITMXUDIFNU-XMTFNYHQSA-N 2 1 309.498 1.854 10 0 DDAEMP CCC[NH2+][C@@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435443 185250440 /nfs/dbraw/zinc/25/04/40/185250440.db2.gz DOWKPBZCVNCMMD-ZDUSSCGKSA-N 2 1 309.376 1.894 10 0 DDAEMP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@H+]1C1CC1 ZINC000246179064 291075032 /nfs/dbraw/zinc/07/50/32/291075032.db2.gz GWMRQRUCYSONFG-DSJMHWKBSA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179064 291075034 /nfs/dbraw/zinc/07/50/34/291075034.db2.gz GWMRQRUCYSONFG-DSJMHWKBSA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179064 291075037 /nfs/dbraw/zinc/07/50/37/291075037.db2.gz GWMRQRUCYSONFG-DSJMHWKBSA-N 2 1 306.454 1.490 10 0 DDAEMP CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C[NH3+] ZINC000093891796 193323909 /nfs/dbraw/zinc/32/39/09/193323909.db2.gz PMUBLMDKQIIYHA-AWEZNQCLSA-N 2 1 319.515 1.355 10 0 DDAEMP [NH3+]C[C@@H](c1ccc(Br)o1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000094458746 193371011 /nfs/dbraw/zinc/37/10/11/193371011.db2.gz XWJUPPPLKQEUJG-MNOVXSKESA-N 2 1 314.227 1.822 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105090810 194071908 /nfs/dbraw/zinc/07/19/08/194071908.db2.gz YNPOUJWEIGNKFX-QGZVFWFLSA-N 2 1 322.497 1.988 10 0 DDAEMP C[NH+](C)CCC[N@H+](C)CCOc1ccc(CC(N)=S)cc1 ZINC000111137500 194393940 /nfs/dbraw/zinc/39/39/40/194393940.db2.gz SMQRXWPYBAIASK-UHFFFAOYSA-N 2 1 309.479 1.778 10 0 DDAEMP C[NH+](C)CCC[N@@H+](C)CCOc1ccc(CC(N)=S)cc1 ZINC000111137500 194393943 /nfs/dbraw/zinc/39/39/43/194393943.db2.gz SMQRXWPYBAIASK-UHFFFAOYSA-N 2 1 309.479 1.778 10 0 DDAEMP CC[NH+](CC)CCOCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000062272096 184226901 /nfs/dbraw/zinc/22/69/01/184226901.db2.gz GCYPRFWTKYYETC-QGZVFWFLSA-N 2 1 321.465 1.764 10 0 DDAEMP NNc1[nH+]cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000062985121 184264832 /nfs/dbraw/zinc/26/48/32/184264832.db2.gz DLLMNKXVWQIDQE-LLVKDONJSA-N 2 1 309.801 1.331 10 0 DDAEMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCc3sccc32)C1 ZINC000063178275 184276554 /nfs/dbraw/zinc/27/65/54/184276554.db2.gz AWVCXXLMZYNGPT-GXTWGEPZSA-N 2 1 307.463 1.912 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000179147307 407737847 /nfs/dbraw/zinc/73/78/47/407737847.db2.gz ZCAUVITWWGJUBN-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179147307 407737854 /nfs/dbraw/zinc/73/78/54/407737854.db2.gz ZCAUVITWWGJUBN-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000179147307 407737861 /nfs/dbraw/zinc/73/78/61/407737861.db2.gz ZCAUVITWWGJUBN-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000174534367 407960728 /nfs/dbraw/zinc/96/07/28/407960728.db2.gz AWOJCUNHUKAACV-RDJZCZTQSA-N 2 1 301.434 1.816 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000174534367 407960733 /nfs/dbraw/zinc/96/07/33/407960733.db2.gz AWOJCUNHUKAACV-RDJZCZTQSA-N 2 1 301.434 1.816 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000245416305 407971989 /nfs/dbraw/zinc/97/19/89/407971989.db2.gz FAYNUZNFBLZYTD-PMPSAXMXSA-N 2 1 311.470 1.164 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000245416305 407971993 /nfs/dbraw/zinc/97/19/93/407971993.db2.gz FAYNUZNFBLZYTD-PMPSAXMXSA-N 2 1 311.470 1.164 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc(C)c1OC(F)F ZINC000263191553 408052833 /nfs/dbraw/zinc/05/28/33/408052833.db2.gz HYGBFZUYGDLTMX-STQMWFEESA-N 2 1 300.349 1.575 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000263270607 408083861 /nfs/dbraw/zinc/08/38/61/408083861.db2.gz SCBCGPAJHMFXEK-WBVHZDCISA-N 2 1 313.401 1.331 10 0 DDAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc(Cl)c1OC ZINC000263302853 408099116 /nfs/dbraw/zinc/09/91/16/408099116.db2.gz XIHKOKBLORURHN-PWSUYJOCSA-N 2 1 300.786 1.027 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000246434702 408256550 /nfs/dbraw/zinc/25/65/50/408256550.db2.gz NLVBLXWMJCTEOG-UONOGXRCSA-N 2 1 322.457 1.295 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246292483 408207697 /nfs/dbraw/zinc/20/76/97/408207697.db2.gz KXZAMPPZNWOAMI-BZUAXINKSA-N 2 1 312.502 1.944 10 0 DDAEMP C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182948559 408291390 /nfs/dbraw/zinc/29/13/90/408291390.db2.gz GZAUMKLXOUROHK-ZOBUZTSGSA-N 2 1 322.497 1.985 10 0 DDAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)[C@@H](C)C1 ZINC000246559247 408291875 /nfs/dbraw/zinc/29/18/75/408291875.db2.gz XATSDZVKLFQPID-JYJNAYRXSA-N 2 1 303.454 1.765 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247319689 408450318 /nfs/dbraw/zinc/45/03/18/408450318.db2.gz ONOKGSJLONIIFI-IIAWOOMASA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247319689 408450322 /nfs/dbraw/zinc/45/03/22/408450322.db2.gz ONOKGSJLONIIFI-IIAWOOMASA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247319689 408450325 /nfs/dbraw/zinc/45/03/25/408450325.db2.gz ONOKGSJLONIIFI-IIAWOOMASA-N 2 1 306.454 1.349 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000247511121 408483057 /nfs/dbraw/zinc/48/30/57/408483057.db2.gz YJBAMXRBUPDQBO-WMLDXEAASA-N 2 1 322.497 1.889 10 0 DDAEMP CCC[C@@H](C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)[NH+](C)C ZINC000162128281 408674326 /nfs/dbraw/zinc/67/43/26/408674326.db2.gz MNKVSIGZLQEKGV-CVEARBPZSA-N 2 1 312.502 1.107 10 0 DDAEMP CCN(CC)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516107 163326867 /nfs/dbraw/zinc/32/68/67/163326867.db2.gz IRQDHAZXXAUQAY-OAHLLOKOSA-N 2 1 304.438 1.992 10 0 DDAEMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261870348 287014154 /nfs/dbraw/zinc/01/41/54/287014154.db2.gz DDDSBGVFXFARPC-TVFCKZIOSA-N 2 1 309.498 1.998 10 0 DDAEMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638511894 422937189 /nfs/dbraw/zinc/93/71/89/422937189.db2.gz CHEPYMIVDGTPJE-ZWKOTPCHSA-N 2 1 315.461 1.965 10 0 DDAEMP COC[C@@]1(C(=O)NCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649305859 423738952 /nfs/dbraw/zinc/73/89/52/423738952.db2.gz INXANEKDPDSMSS-QGZVFWFLSA-N 2 1 305.422 1.003 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C[N@H+]1Cc1ccccc1 ZINC000649343817 423774162 /nfs/dbraw/zinc/77/41/62/423774162.db2.gz YAHUWGHGCGMWOE-DJIMGWMZSA-N 2 1 317.433 1.002 10 0 DDAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743679 424753549 /nfs/dbraw/zinc/75/35/49/424753549.db2.gz KVUNZTXJNIUHRU-DLBZAZTESA-N 2 1 318.465 1.046 10 0 DDAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743679 424753552 /nfs/dbraw/zinc/75/35/52/424753552.db2.gz KVUNZTXJNIUHRU-DLBZAZTESA-N 2 1 318.465 1.046 10 0 DDAEMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283249 424773625 /nfs/dbraw/zinc/77/36/25/424773625.db2.gz JZFBWQQSJRZNFU-QXAKKESOSA-N 2 1 316.493 1.390 10 0 DDAEMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283249 424773628 /nfs/dbraw/zinc/77/36/28/424773628.db2.gz JZFBWQQSJRZNFU-QXAKKESOSA-N 2 1 316.493 1.390 10 0 DDAEMP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175191655 279342036 /nfs/dbraw/zinc/34/20/36/279342036.db2.gz YYSQJMQUAOKLTN-CABCVRRESA-N 2 1 313.486 1.266 10 0 DDAEMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(N)=O ZINC000229663315 697779680 /nfs/dbraw/zinc/77/96/80/697779680.db2.gz WRTYRORNYSFZHA-ZQIUZPCESA-N 2 1 319.449 1.649 10 0 DDAEMP OCCOCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000305879634 698659548 /nfs/dbraw/zinc/65/95/48/698659548.db2.gz TZJGHYHREYGIAP-FGTMMUONSA-N 2 1 304.434 1.496 10 0 DDAEMP C[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311174 185174870 /nfs/dbraw/zinc/17/48/70/185174870.db2.gz IHADVEBKYXRTTL-QGZVFWFLSA-N 2 1 301.434 1.815 10 0 DDAEMP C[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311174 185174871 /nfs/dbraw/zinc/17/48/71/185174871.db2.gz IHADVEBKYXRTTL-QGZVFWFLSA-N 2 1 301.434 1.815 10 0 DDAEMP [NH3+]C[C@@]1(O)CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093626897 193276682 /nfs/dbraw/zinc/27/66/82/193276682.db2.gz FAFZAPSFZJIZOF-OLZOCXBDSA-N 2 1 309.376 1.046 10 0 DDAEMP CCC[NH2+][C@]1(CO)CC[C@@H]([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000093857015 193320183 /nfs/dbraw/zinc/32/01/83/193320183.db2.gz IARUJLLIRSRSMF-ARFHVFGLSA-N 2 1 302.459 1.253 10 0 DDAEMP CCc1noc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862522 194149806 /nfs/dbraw/zinc/14/98/06/194149806.db2.gz UFFDHBVYZFQIIQ-OLZOCXBDSA-N 2 1 310.442 1.718 10 0 DDAEMP CCc1noc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000105862522 194149807 /nfs/dbraw/zinc/14/98/07/194149807.db2.gz UFFDHBVYZFQIIQ-OLZOCXBDSA-N 2 1 310.442 1.718 10 0 DDAEMP CN(Cc1csc(Br)c1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990584 184200119 /nfs/dbraw/zinc/20/01/19/184200119.db2.gz GBUBVITVYIFBGM-LBPRGKRZSA-N 2 1 318.284 1.975 10 0 DDAEMP NC(=[NH2+])c1cc(Cl)ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062980613 184264146 /nfs/dbraw/zinc/26/41/46/184264146.db2.gz QYXHZDLSEVNYDC-LBPRGKRZSA-N 2 1 308.813 1.535 10 0 DDAEMP CC1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261650360 407569881 /nfs/dbraw/zinc/56/98/81/407569881.db2.gz GHRSVQXQABTVEW-MSOLQXFVSA-N 2 1 315.461 1.919 10 0 DDAEMP CC1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261650360 407569886 /nfs/dbraw/zinc/56/98/86/407569886.db2.gz GHRSVQXQABTVEW-MSOLQXFVSA-N 2 1 315.461 1.919 10 0 DDAEMP NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1COc1ccncc1 ZINC000257192402 407488045 /nfs/dbraw/zinc/48/80/45/407488045.db2.gz QOGMFSHRXMXIED-GOEBONIOSA-N 2 1 312.373 1.089 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000113605689 407518534 /nfs/dbraw/zinc/51/85/34/407518534.db2.gz ITBAVCVTDSBHHD-IKGGRYGDSA-N 2 1 322.497 1.985 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000170833432 407523583 /nfs/dbraw/zinc/52/35/83/407523583.db2.gz HAUMXVDRUBXHLP-AWEZNQCLSA-N 2 1 322.478 1.452 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000170833432 407523587 /nfs/dbraw/zinc/52/35/87/407523587.db2.gz HAUMXVDRUBXHLP-AWEZNQCLSA-N 2 1 322.478 1.452 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746802 /nfs/dbraw/zinc/74/68/02/407746802.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746809 /nfs/dbraw/zinc/74/68/09/407746809.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746816 /nfs/dbraw/zinc/74/68/16/407746816.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 3 1 302.466 1.835 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262400150 407824571 /nfs/dbraw/zinc/82/45/71/407824571.db2.gz CEGMNMQIORKVET-BJJXKVORSA-N 2 1 305.397 1.453 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262400150 407824578 /nfs/dbraw/zinc/82/45/78/407824578.db2.gz CEGMNMQIORKVET-BJJXKVORSA-N 2 1 305.397 1.453 10 0 DDAEMP CCN(C)[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847385 408079656 /nfs/dbraw/zinc/07/96/56/408079656.db2.gz JZFQNLURJZGMMN-IRXDYDNUSA-N 2 1 301.434 1.986 10 0 DDAEMP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847385 408079666 /nfs/dbraw/zinc/07/96/66/408079666.db2.gz JZFQNLURJZGMMN-IRXDYDNUSA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847385 408079683 /nfs/dbraw/zinc/07/96/83/408079683.db2.gz JZFQNLURJZGMMN-IRXDYDNUSA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847385 408079691 /nfs/dbraw/zinc/07/96/91/408079691.db2.gz JZFQNLURJZGMMN-IRXDYDNUSA-N 2 1 301.434 1.986 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1Oc1cccnc1 ZINC000263262164 408082979 /nfs/dbraw/zinc/08/29/79/408082979.db2.gz RBRQPQPIZPVTAK-NVXWUHKLSA-N 2 1 313.401 1.852 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000246353096 408230561 /nfs/dbraw/zinc/23/05/61/408230561.db2.gz GGMHJRSWHMUOHT-RRFJBIMHSA-N 2 1 310.486 1.887 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246600286 408301070 /nfs/dbraw/zinc/30/10/70/408301070.db2.gz KNDKPGUABNETNQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246600286 408301075 /nfs/dbraw/zinc/30/10/75/408301075.db2.gz KNDKPGUABNETNQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246600286 408301078 /nfs/dbraw/zinc/30/10/78/408301078.db2.gz KNDKPGUABNETNQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3ccsc3n2)CC1 ZINC000171589296 162227433 /nfs/dbraw/zinc/22/74/33/162227433.db2.gz WSAQFFKPMGTEGS-CYBMUJFWSA-N 2 1 322.478 1.920 10 0 DDAEMP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171906033 162246247 /nfs/dbraw/zinc/24/62/47/162246247.db2.gz KDQFAPWHGPJVSA-INIZCTEOSA-N 2 1 308.470 1.741 10 0 DDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247009339 408388006 /nfs/dbraw/zinc/38/80/06/408388006.db2.gz FTEHACYMDSBIFA-OWCLPIDISA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247313755 408449473 /nfs/dbraw/zinc/44/94/73/408449473.db2.gz OFQXEEQKSNBPES-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000247313755 408449480 /nfs/dbraw/zinc/44/94/80/408449480.db2.gz OFQXEEQKSNBPES-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000247313755 408449486 /nfs/dbraw/zinc/44/94/86/408449486.db2.gz OFQXEEQKSNBPES-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247278228 408441850 /nfs/dbraw/zinc/44/18/50/408441850.db2.gz KETJWCOQHHFIHC-BZUAXINKSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247278228 408441854 /nfs/dbraw/zinc/44/18/54/408441854.db2.gz KETJWCOQHHFIHC-BZUAXINKSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247278228 408441859 /nfs/dbraw/zinc/44/18/59/408441859.db2.gz KETJWCOQHHFIHC-BZUAXINKSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247504337 408483671 /nfs/dbraw/zinc/48/36/71/408483671.db2.gz OGSRFKMXGVCTGA-IRXDYDNUSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247504337 408483675 /nfs/dbraw/zinc/48/36/75/408483675.db2.gz OGSRFKMXGVCTGA-IRXDYDNUSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247504337 408483680 /nfs/dbraw/zinc/48/36/80/408483680.db2.gz OGSRFKMXGVCTGA-IRXDYDNUSA-N 2 1 322.497 1.988 10 0 DDAEMP CCOCCC[N@H+]1CC[C@H](NCc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014422 163002510 /nfs/dbraw/zinc/00/25/10/163002510.db2.gz UPPMVNVYAKZIPM-CABCVRRESA-N 2 1 324.473 1.481 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192003453 163212476 /nfs/dbraw/zinc/21/24/76/163212476.db2.gz DPMUPKYEQPSKPV-OLZOCXBDSA-N 2 1 322.457 1.094 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192003453 163212481 /nfs/dbraw/zinc/21/24/81/163212481.db2.gz DPMUPKYEQPSKPV-OLZOCXBDSA-N 2 1 322.457 1.094 10 0 DDAEMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000338368045 409941362 /nfs/dbraw/zinc/94/13/62/409941362.db2.gz FODWRTPNPJWPNC-ZACQAIPSSA-N 2 1 323.481 1.166 10 0 DDAEMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000338368045 409941369 /nfs/dbraw/zinc/94/13/69/409941369.db2.gz FODWRTPNPJWPNC-ZACQAIPSSA-N 2 1 323.481 1.166 10 0 DDAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000291181836 222202347 /nfs/dbraw/zinc/20/23/47/222202347.db2.gz OGOWIWKOBZNRLW-BHIYHBOVSA-N 2 1 317.477 1.960 10 0 DDAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000291181836 222202350 /nfs/dbraw/zinc/20/23/50/222202350.db2.gz OGOWIWKOBZNRLW-BHIYHBOVSA-N 2 1 317.477 1.960 10 0 DDAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389864920 418750696 /nfs/dbraw/zinc/75/06/96/418750696.db2.gz GFROGLWGTQUFAL-OIISXLGYSA-N 2 1 303.450 1.997 10 0 DDAEMP COC[C@@]1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649281426 423717384 /nfs/dbraw/zinc/71/73/84/423717384.db2.gz IATDQUHHLORQER-GOSISDBHSA-N 2 1 319.449 1.393 10 0 DDAEMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)C2)CC1 ZINC000262059464 278546537 /nfs/dbraw/zinc/54/65/37/278546537.db2.gz ASONYUCEZRDFOG-IKGGRYGDSA-N 2 1 323.481 1.334 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000245474079 279325856 /nfs/dbraw/zinc/32/58/56/279325856.db2.gz QNSPLVRMHXKZSM-ZBFHGGJFSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000245474079 279325857 /nfs/dbraw/zinc/32/58/57/279325857.db2.gz QNSPLVRMHXKZSM-ZBFHGGJFSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000245474079 279325858 /nfs/dbraw/zinc/32/58/58/279325858.db2.gz QNSPLVRMHXKZSM-ZBFHGGJFSA-N 2 1 308.470 1.596 10 0 DDAEMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261877200 698442488 /nfs/dbraw/zinc/44/24/88/698442488.db2.gz DUFZMLJKYTWWPN-XWTMOSNGSA-N 2 1 304.434 1.775 10 0 DDAEMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262049907 698452397 /nfs/dbraw/zinc/45/23/97/698452397.db2.gz ZOEJJGRVDSAWAI-RKTXRCNFSA-N 2 1 320.433 1.475 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000262164996 698457723 /nfs/dbraw/zinc/45/77/23/698457723.db2.gz UDADZTCAHDAPGK-CMPLNLGQSA-N 2 1 306.353 1.968 10 0 DDAEMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000709806996 699252983 /nfs/dbraw/zinc/25/29/83/699252983.db2.gz BNQCHIDXNHVJKS-KRWDZBQOSA-N 2 1 306.450 1.980 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000328677286 231303511 /nfs/dbraw/zinc/30/35/11/231303511.db2.gz AMZMPJJWNVWIDC-OAHLLOKOSA-N 2 1 312.421 1.893 10 0 DDAEMP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000092633797 185330343 /nfs/dbraw/zinc/33/03/43/185330343.db2.gz MEWUHVGPFDIQMI-OCCSQVGLSA-N 2 1 311.451 1.421 10 0 DDAEMP CCC[NH2+]CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092680049 185333608 /nfs/dbraw/zinc/33/36/08/185333608.db2.gz LZVAVHRVHDKKGY-HNNXBMFYSA-N 2 1 319.515 1.512 10 0 DDAEMP Cc1ccc(NCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000171901353 198004656 /nfs/dbraw/zinc/00/46/56/198004656.db2.gz LWDLIHCARBDJNB-OAHLLOKOSA-N 2 1 317.437 1.682 10 0 DDAEMP Cc1ccc(NCCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC000171901353 198004658 /nfs/dbraw/zinc/00/46/58/198004658.db2.gz LWDLIHCARBDJNB-OAHLLOKOSA-N 2 1 317.437 1.682 10 0 DDAEMP CS(=O)(=O)c1ccc(C[NH2+]CC[C@H]2CSCC[NH2+]2)cc1 ZINC000091292206 193032596 /nfs/dbraw/zinc/03/25/96/193032596.db2.gz OCHVGOGICIWJJE-ZDUSSCGKSA-N 2 1 314.476 1.275 10 0 DDAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CSc2ccccc21 ZINC000092290432 193185489 /nfs/dbraw/zinc/18/54/89/193185489.db2.gz KUYSGXQBZSZKJO-CYBMUJFWSA-N 2 1 305.447 1.240 10 0 DDAEMP C[NH2+][C@@]1(C(N)=O)CCC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093756695 193301411 /nfs/dbraw/zinc/30/14/11/193301411.db2.gz MRDVPRWHWRUFCH-AAEUAGOBSA-N 2 1 307.360 1.647 10 0 DDAEMP CC[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638873 193387676 /nfs/dbraw/zinc/38/76/76/193387676.db2.gz FDVRQEQWFJVXDD-CVSAEHQPSA-N 2 1 302.484 1.934 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+](CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094638898 193388340 /nfs/dbraw/zinc/38/83/40/193388340.db2.gz STWCWSNIJQOYOY-HZPDHXFCSA-N 2 1 314.495 1.806 10 0 DDAEMP C[NH2+]C1CCC([N@@H+](C)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634028 193385322 /nfs/dbraw/zinc/38/53/22/193385322.db2.gz XYEAKPHBBPXIIL-CVSAEHQPSA-N 2 1 302.484 1.805 10 0 DDAEMP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000040716243 183122588 /nfs/dbraw/zinc/12/25/88/183122588.db2.gz YWRMHXJCWHZFIU-OCCSQVGLSA-N 2 1 311.451 1.340 10 0 DDAEMP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040716243 183122589 /nfs/dbraw/zinc/12/25/89/183122589.db2.gz YWRMHXJCWHZFIU-OCCSQVGLSA-N 2 1 311.451 1.340 10 0 DDAEMP O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062943060 184261934 /nfs/dbraw/zinc/26/19/34/184261934.db2.gz LYNBGWNNCQPEIQ-LSDHHAIUSA-N 2 1 315.483 1.019 10 0 DDAEMP CCN(CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1)S(C)(=O)=O ZINC000216485926 257132384 /nfs/dbraw/zinc/13/23/84/257132384.db2.gz TZNFRQLPPQYZMA-LSDHHAIUSA-N 2 1 319.515 1.368 10 0 DDAEMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105129549 407352656 /nfs/dbraw/zinc/35/26/56/407352656.db2.gz GYNQMKWACYYZLS-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000170829577 407521326 /nfs/dbraw/zinc/52/13/26/407521326.db2.gz DQNDLFNKPADEQF-QGZVFWFLSA-N 2 1 316.449 1.390 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261748434 407601951 /nfs/dbraw/zinc/60/19/51/407601951.db2.gz NEKXUFLGXSONGE-HNNXBMFYSA-N 2 1 315.421 1.482 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261748434 407601957 /nfs/dbraw/zinc/60/19/57/407601957.db2.gz NEKXUFLGXSONGE-HNNXBMFYSA-N 2 1 315.421 1.482 10 0 DDAEMP c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)OCCO2 ZINC000261871946 407650181 /nfs/dbraw/zinc/65/01/81/407650181.db2.gz DGVJWEOWMWNGGH-XHSDSOJGSA-N 2 1 318.417 1.705 10 0 DDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261911216 407666931 /nfs/dbraw/zinc/66/69/31/407666931.db2.gz JAGOYGIXBMJWNN-ILOCAZANSA-N 2 1 309.498 1.996 10 0 DDAEMP O=C(NC1CC1)c1noc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000262021987 407714829 /nfs/dbraw/zinc/71/48/29/407714829.db2.gz WFWNFFPMSGCXDH-CYBMUJFWSA-N 2 1 319.409 1.098 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000263209045 408058805 /nfs/dbraw/zinc/05/88/05/408058805.db2.gz KAZJXUUPNNCSRL-SWLSCSKDSA-N 2 1 306.797 1.196 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000263217329 408061757 /nfs/dbraw/zinc/06/17/57/408061757.db2.gz LBPDIQYKEQIKEV-BXKDBHETSA-N 2 1 303.175 1.258 10 0 DDAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2ccccc2Cl)n1 ZINC000263240766 408070390 /nfs/dbraw/zinc/07/03/90/408070390.db2.gz OOOMLMCMZZPTTC-XHDPSFHLSA-N 2 1 320.824 1.410 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000263317816 408105410 /nfs/dbraw/zinc/10/54/10/408105410.db2.gz ZSMXDAJXOXIWDX-PKOBYXMFSA-N 2 1 312.413 1.936 10 0 DDAEMP Cc1ccc(N2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000120719341 408142950 /nfs/dbraw/zinc/14/29/50/408142950.db2.gz KXVMGIUJINIBTG-INIZCTEOSA-N 2 1 303.454 1.781 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000246369348 408234692 /nfs/dbraw/zinc/23/46/92/408234692.db2.gz LVQYQEHFOLPAJW-RDJZCZTQSA-N 2 1 322.497 1.144 10 0 DDAEMP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246370376 408234851 /nfs/dbraw/zinc/23/48/51/408234851.db2.gz REVZNDOJNAWPMA-IRXDYDNUSA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246370376 408234855 /nfs/dbraw/zinc/23/48/55/408234855.db2.gz REVZNDOJNAWPMA-IRXDYDNUSA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247015974 408386821 /nfs/dbraw/zinc/38/68/21/408386821.db2.gz LPALRPGNVSTYDD-CVEARBPZSA-N 2 1 319.453 1.850 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247015974 408386824 /nfs/dbraw/zinc/38/68/24/408386824.db2.gz LPALRPGNVSTYDD-CVEARBPZSA-N 2 1 319.453 1.850 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000247376803 408459864 /nfs/dbraw/zinc/45/98/64/408459864.db2.gz PNHKJGVNSUPCLY-RBSFLKMASA-N 2 1 312.502 1.991 10 0 DDAEMP CC(C)COC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247254307 408438957 /nfs/dbraw/zinc/43/89/57/408438957.db2.gz UGSQHOWQPYKDEW-RDJZCZTQSA-N 2 1 316.486 1.045 10 0 DDAEMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247253823 408439400 /nfs/dbraw/zinc/43/94/00/408439400.db2.gz UDZLYQONVJZSER-KKUMJFAQSA-N 2 1 313.486 1.314 10 0 DDAEMP CC(C)[NH+]1CCN(CCCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000249459669 408728922 /nfs/dbraw/zinc/72/89/22/408728922.db2.gz ZBFYDBOYGKQUEV-ROUUACIJSA-N 2 1 308.514 1.571 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000249459669 408728930 /nfs/dbraw/zinc/72/89/30/408728930.db2.gz ZBFYDBOYGKQUEV-ROUUACIJSA-N 2 1 308.514 1.571 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000249459669 408728935 /nfs/dbraw/zinc/72/89/35/408728935.db2.gz ZBFYDBOYGKQUEV-ROUUACIJSA-N 2 1 308.514 1.571 10 0 DDAEMP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163021377 408753224 /nfs/dbraw/zinc/75/32/24/408753224.db2.gz IVMDOSHBQSHNMO-QGZVFWFLSA-N 2 1 319.497 1.639 10 0 DDAEMP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163021377 408753228 /nfs/dbraw/zinc/75/32/28/408753228.db2.gz IVMDOSHBQSHNMO-QGZVFWFLSA-N 2 1 319.497 1.639 10 0 DDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000192742193 163235762 /nfs/dbraw/zinc/23/57/62/163235762.db2.gz PEIBSWVYNIWNIW-QGZVFWFLSA-N 2 1 319.497 1.626 10 0 DDAEMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000129140095 196022325 /nfs/dbraw/zinc/02/23/25/196022325.db2.gz BHEDEMGVXWCZDY-OAHLLOKOSA-N 2 1 319.453 1.478 10 0 DDAEMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000129140095 196022326 /nfs/dbraw/zinc/02/23/26/196022326.db2.gz BHEDEMGVXWCZDY-OAHLLOKOSA-N 2 1 319.453 1.478 10 0 DDAEMP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278913 423715296 /nfs/dbraw/zinc/71/52/96/423715296.db2.gz NBOPPILJQWSHQC-AEFFLSMTSA-N 2 1 317.433 1.146 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1CC ZINC000261882476 276319663 /nfs/dbraw/zinc/31/96/63/276319663.db2.gz ZHZCJLLEMIVATC-BZUAXINKSA-N 2 1 311.470 1.321 10 0 DDAEMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247650718 289355527 /nfs/dbraw/zinc/35/55/27/289355527.db2.gz WOAUNMNFXGJIFX-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000251840841 484247801 /nfs/dbraw/zinc/24/78/01/484247801.db2.gz QLGBRFHDCWFCJI-MDZLAQPJSA-N 2 1 305.344 1.224 10 0 DDAEMP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000262395615 698467950 /nfs/dbraw/zinc/46/79/50/698467950.db2.gz BUGAGXLSRMSXOE-CORIIIEPSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000262395615 698467952 /nfs/dbraw/zinc/46/79/52/698467952.db2.gz BUGAGXLSRMSXOE-CORIIIEPSA-N 2 1 306.406 1.882 10 0 DDAEMP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000886082618 708694804 /nfs/dbraw/zinc/69/48/04/708694804.db2.gz XPSGUWFKYWKSAM-OAGGEKHMSA-N 2 1 320.437 1.292 10 0 DDAEMP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000886082618 708694806 /nfs/dbraw/zinc/69/48/06/708694806.db2.gz XPSGUWFKYWKSAM-OAGGEKHMSA-N 2 1 320.437 1.292 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@@H]1C(C)C ZINC000888097824 709213059 /nfs/dbraw/zinc/21/30/59/709213059.db2.gz QAGRBXKKHKPNSA-ZJPYXAASSA-N 2 1 308.466 1.793 10 0 DDAEMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000907558662 712594814 /nfs/dbraw/zinc/59/48/14/712594814.db2.gz HWJJRBHTGOGPHK-GJZGRUSLSA-N 2 1 304.438 1.684 10 0 DDAEMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000907558662 712594815 /nfs/dbraw/zinc/59/48/15/712594815.db2.gz HWJJRBHTGOGPHK-GJZGRUSLSA-N 2 1 304.438 1.684 10 0 DDAEMP CC[C@H](CO)[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000181723247 539238457 /nfs/dbraw/zinc/23/84/57/539238457.db2.gz BIIVHALDQFVDFL-GOSISDBHSA-N 2 1 323.456 1.646 10 0 DDAEMP CCN1CC[NH+](CCCN2Cc3ccccc3[C@H]2C[NH3+])CC1 ZINC000071682987 191007277 /nfs/dbraw/zinc/00/72/77/191007277.db2.gz LMFKBEIRROEEJB-GOSISDBHSA-N 2 1 302.466 1.530 10 0 DDAEMP [NH3+][C@@H](c1nc(CCC[NH+]2CCCCC2)no1)C1CCOCC1 ZINC000328656894 354560258 /nfs/dbraw/zinc/56/02/58/354560258.db2.gz ZTJJITQEGPIZRT-OAHLLOKOSA-N 2 1 308.426 1.915 10 0 DDAEMP CSC1(C[NH3+])CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000091471162 193060199 /nfs/dbraw/zinc/06/01/99/193060199.db2.gz BLIADCFFHDZRJI-UHFFFAOYSA-N 2 1 311.426 1.921 10 0 DDAEMP CCC[N@H+](C1CCS(=O)(=O)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042333162 183254946 /nfs/dbraw/zinc/25/49/46/183254946.db2.gz KFXGGXJVIWTJLK-NNQSOWQGSA-N 2 1 300.468 1.559 10 0 DDAEMP CCC[N@@H+](C1CCS(=O)(=O)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042333162 183254947 /nfs/dbraw/zinc/25/49/47/183254947.db2.gz KFXGGXJVIWTJLK-NNQSOWQGSA-N 2 1 300.468 1.559 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000105915407 194169084 /nfs/dbraw/zinc/16/90/84/194169084.db2.gz VEMNQNBPJLIPCF-ZDUSSCGKSA-N 2 1 300.443 1.353 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000105915407 194169086 /nfs/dbraw/zinc/16/90/86/194169086.db2.gz VEMNQNBPJLIPCF-ZDUSSCGKSA-N 2 1 300.443 1.353 10 0 DDAEMP C[NH2+]Cc1c(Cl)cccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062981934 184264201 /nfs/dbraw/zinc/26/42/01/184264201.db2.gz KLKSAJHGMFYRPH-ZDUSSCGKSA-N 2 1 309.841 1.970 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000119730167 195027317 /nfs/dbraw/zinc/02/73/17/195027317.db2.gz VUSXWLGFMBVRLW-HNNXBMFYSA-N 2 1 310.486 1.987 10 0 DDAEMP COC1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261557806 292096717 /nfs/dbraw/zinc/09/67/17/292096717.db2.gz XOLDEPYJWJIXQA-OAHLLOKOSA-N 2 1 319.449 1.392 10 0 DDAEMP COC(=O)c1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c[nH]1 ZINC000261700411 407585295 /nfs/dbraw/zinc/58/52/95/407585295.db2.gz LKXKXYNBLDFZGJ-CVEARBPZSA-N 2 1 313.401 1.976 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261545214 407541761 /nfs/dbraw/zinc/54/17/61/407541761.db2.gz JQOZYZHRCOVQHG-YESZJQIVSA-N 2 1 301.434 1.704 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261545214 407541765 /nfs/dbraw/zinc/54/17/65/407541765.db2.gz JQOZYZHRCOVQHG-YESZJQIVSA-N 2 1 301.434 1.704 10 0 DDAEMP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545747 407542222 /nfs/dbraw/zinc/54/22/22/407542222.db2.gz KIDNNGMTJGOPKH-BHYGNILZSA-N 2 1 317.433 1.002 10 0 DDAEMP C[C@H](NC(=O)[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545747 407542226 /nfs/dbraw/zinc/54/22/26/407542226.db2.gz KIDNNGMTJGOPKH-BHYGNILZSA-N 2 1 317.433 1.002 10 0 DDAEMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261870345 407649970 /nfs/dbraw/zinc/64/99/70/407649970.db2.gz DDDSBGVFXFARPC-BRSBDYLESA-N 2 1 309.498 1.998 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722117 407591904 /nfs/dbraw/zinc/59/19/04/407591904.db2.gz GAFUVXKFAFCRCH-PBHICJAKSA-N 2 1 321.469 1.699 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722117 407591913 /nfs/dbraw/zinc/59/19/13/407591913.db2.gz GAFUVXKFAFCRCH-PBHICJAKSA-N 2 1 321.469 1.699 10 0 DDAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171904041 407791232 /nfs/dbraw/zinc/79/12/32/407791232.db2.gz SFTGEAVALVHGEJ-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904041 407791239 /nfs/dbraw/zinc/79/12/39/407791239.db2.gz SFTGEAVALVHGEJ-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171904041 407791243 /nfs/dbraw/zinc/79/12/43/407791243.db2.gz SFTGEAVALVHGEJ-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357322 407809262 /nfs/dbraw/zinc/80/92/62/407809262.db2.gz VDQODQABHPKMBK-LBIHUFLLSA-N 2 1 305.466 1.835 10 0 DDAEMP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000117469120 407839457 /nfs/dbraw/zinc/83/94/57/407839457.db2.gz BEXIBYZGHNBUQB-HNNXBMFYSA-N 2 1 314.474 1.080 10 0 DDAEMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000117469120 407839464 /nfs/dbraw/zinc/83/94/64/407839464.db2.gz BEXIBYZGHNBUQB-HNNXBMFYSA-N 2 1 314.474 1.080 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCO[C@@H]2CCCCO2)CC1 ZINC000181689696 408026337 /nfs/dbraw/zinc/02/63/37/408026337.db2.gz MKWVHEWOLXKDOA-DOTOQJQBSA-N 2 1 314.470 1.554 10 0 DDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000119661367 408103394 /nfs/dbraw/zinc/10/33/94/408103394.db2.gz PJAFOSFHWWPQFE-IJEWVQPXSA-N 2 1 321.469 1.856 10 0 DDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119661367 408103405 /nfs/dbraw/zinc/10/34/05/408103405.db2.gz PJAFOSFHWWPQFE-IJEWVQPXSA-N 2 1 321.469 1.856 10 0 DDAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246495067 408273844 /nfs/dbraw/zinc/27/38/44/408273844.db2.gz SSKHRBNOPVUGRG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246495067 408273849 /nfs/dbraw/zinc/27/38/49/408273849.db2.gz SSKHRBNOPVUGRG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246495067 408273856 /nfs/dbraw/zinc/27/38/56/408273856.db2.gz SSKHRBNOPVUGRG-HOTGVXAUSA-N 2 1 308.470 1.598 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000247161065 408417750 /nfs/dbraw/zinc/41/77/50/408417750.db2.gz UVUZQQVEASWCFP-CWRNSKLLSA-N 2 1 320.437 1.340 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000247161065 408417755 /nfs/dbraw/zinc/41/77/55/408417755.db2.gz UVUZQQVEASWCFP-CWRNSKLLSA-N 2 1 320.437 1.340 10 0 DDAEMP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298649 408801340 /nfs/dbraw/zinc/80/13/40/408801340.db2.gz HEECKLVZNVKBPE-GOEBONIOSA-N 2 1 322.453 1.587 10 0 DDAEMP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298649 408801343 /nfs/dbraw/zinc/80/13/43/408801343.db2.gz HEECKLVZNVKBPE-GOEBONIOSA-N 2 1 322.453 1.587 10 0 DDAEMP C[N@@H+](CC[C@@H]1CCCO1)C1CCN(CCn2cccn2)CC1 ZINC000189182275 163088238 /nfs/dbraw/zinc/08/82/38/163088238.db2.gz UGTAWFHBDACTMK-KRWDZBQOSA-N 2 1 306.454 1.848 10 0 DDAEMP CN(C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317944 163315984 /nfs/dbraw/zinc/31/59/84/163315984.db2.gz KOQVSGPBWDHGQF-IAGOWNOFSA-N 2 1 301.434 1.986 10 0 DDAEMP CN(C)[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317944 163315985 /nfs/dbraw/zinc/31/59/85/163315985.db2.gz KOQVSGPBWDHGQF-IAGOWNOFSA-N 2 1 301.434 1.986 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000263177642 163926149 /nfs/dbraw/zinc/92/61/49/163926149.db2.gz GHZNFPUMESYRMU-NWDGAFQWSA-N 2 1 316.348 1.357 10 0 DDAEMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283252 424773598 /nfs/dbraw/zinc/77/35/98/424773598.db2.gz JZFBWQQSJRZNFU-YTQUADARSA-N 2 1 316.493 1.390 10 0 DDAEMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283252 424773601 /nfs/dbraw/zinc/77/36/01/424773601.db2.gz JZFBWQQSJRZNFU-YTQUADARSA-N 2 1 316.493 1.390 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000247914080 289313877 /nfs/dbraw/zinc/31/38/77/289313877.db2.gz ARRWLZPPRKBQTM-IXDOHACOSA-N 2 1 316.449 1.777 10 0 DDAEMP CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000363970800 300331127 /nfs/dbraw/zinc/33/11/27/300331127.db2.gz YZERXUUTROOHKI-ALOPSCKCSA-N 2 1 301.434 1.908 10 0 DDAEMP CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000363970800 300331129 /nfs/dbraw/zinc/33/11/29/300331129.db2.gz YZERXUUTROOHKI-ALOPSCKCSA-N 2 1 301.434 1.908 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc(Cl)c1OC ZINC000262143633 484264214 /nfs/dbraw/zinc/26/42/14/484264214.db2.gz PYZXEBPLCFZZGT-AAEUAGOBSA-N 2 1 314.813 1.417 10 0 DDAEMP OCC[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000683819932 486116413 /nfs/dbraw/zinc/11/64/13/486116413.db2.gz MXKPNHRHYKBJHX-UHFFFAOYSA-N 2 1 304.434 1.781 10 0 DDAEMP CCOC(C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)OCC ZINC000184967654 697511093 /nfs/dbraw/zinc/51/10/93/697511093.db2.gz YFOAZFQGPQEQTB-AWEZNQCLSA-N 2 1 302.459 1.410 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173500859 198221762 /nfs/dbraw/zinc/22/17/62/198221762.db2.gz PVEYWNLAGWNPSR-OAHLLOKOSA-N 2 1 305.426 1.461 10 0 DDAEMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173500859 198221764 /nfs/dbraw/zinc/22/17/64/198221764.db2.gz PVEYWNLAGWNPSR-OAHLLOKOSA-N 2 1 305.426 1.461 10 0 DDAEMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703096 193295200 /nfs/dbraw/zinc/29/52/00/193295200.db2.gz GJDAWKBZICJJOI-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP CC[NH2+][C@]1(CO)CCC[C@H]([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000093783351 193307214 /nfs/dbraw/zinc/30/72/14/193307214.db2.gz JQYUNLJLQLKLEP-HRCADAONSA-N 2 1 302.459 1.253 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831908 193314418 /nfs/dbraw/zinc/31/44/18/193314418.db2.gz HKVFLANDKKBBOV-WCQYABFASA-N 2 1 307.360 1.647 10 0 DDAEMP CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)CC(C)(C)C[NH3+] ZINC000093891496 193324235 /nfs/dbraw/zinc/32/42/35/193324235.db2.gz VCBHPPKGUCWMDC-UHFFFAOYSA-N 2 1 308.451 1.871 10 0 DDAEMP CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)CC(C)(C)C[NH3+] ZINC000093891496 193324236 /nfs/dbraw/zinc/32/42/36/193324236.db2.gz VCBHPPKGUCWMDC-UHFFFAOYSA-N 2 1 308.451 1.871 10 0 DDAEMP COc1c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)nn1C ZINC000121128808 195296748 /nfs/dbraw/zinc/29/67/48/195296748.db2.gz NATFCMJCIKYBEP-CYBMUJFWSA-N 2 1 324.469 1.262 10 0 DDAEMP CCC[C@@H](C(=O)OCC)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000114802866 407617041 /nfs/dbraw/zinc/61/70/41/407617041.db2.gz HWFRTYISJNFZPZ-ZBFHGGJFSA-N 2 1 314.470 1.743 10 0 DDAEMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261890247 407656404 /nfs/dbraw/zinc/65/64/04/407656404.db2.gz GJHDKTYXDKNIHT-GVDBMIGSSA-N 2 1 317.433 1.163 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000271448757 407689837 /nfs/dbraw/zinc/68/98/37/407689837.db2.gz HVRPTNJBOUTOSM-NEWSRXKRSA-N 2 1 317.477 1.817 10 0 DDAEMP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000238008818 407868694 /nfs/dbraw/zinc/86/86/94/407868694.db2.gz TZGNUGWKYJVQSI-SJORKVTESA-N 2 1 301.434 1.848 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000263186073 408050414 /nfs/dbraw/zinc/05/04/14/408050414.db2.gz HJIYPVAOSVNOCY-DGCLKSJQSA-N 2 1 312.797 1.171 10 0 DDAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246021953 408122230 /nfs/dbraw/zinc/12/22/30/408122230.db2.gz PBSZYSJLLAIRKW-OWCLPIDISA-N 2 1 310.486 1.700 10 0 DDAEMP CC(C)[NH+]1CCC(NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263488733 408153264 /nfs/dbraw/zinc/15/32/64/408153264.db2.gz IAMLKOLGFQPYIZ-UHFFFAOYSA-N 2 1 323.481 1.776 10 0 DDAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3C=CCCC3)CC2)C1 ZINC000246263093 408198314 /nfs/dbraw/zinc/19/83/14/408198314.db2.gz OVOCKYIMYVNKMM-QZTJIDSGSA-N 2 1 307.482 1.822 10 0 DDAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246586485 408298885 /nfs/dbraw/zinc/29/88/85/408298885.db2.gz ZUDSSFRGAWDXAO-GDBMZVCRSA-N 2 1 321.469 1.952 10 0 DDAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246586485 408298891 /nfs/dbraw/zinc/29/88/91/408298891.db2.gz ZUDSSFRGAWDXAO-GDBMZVCRSA-N 2 1 321.469 1.952 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000176416016 408360464 /nfs/dbraw/zinc/36/04/64/408360464.db2.gz CGWWCGKQLSBXMM-HOCLYGCPSA-N 2 1 310.486 1.887 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC(C)C ZINC000246865050 408357289 /nfs/dbraw/zinc/35/72/89/408357289.db2.gz CULJRQBVAWIKPM-TZMCWYRMSA-N 2 1 321.425 1.279 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC(C)C ZINC000246865050 408357294 /nfs/dbraw/zinc/35/72/94/408357294.db2.gz CULJRQBVAWIKPM-TZMCWYRMSA-N 2 1 321.425 1.279 10 0 DDAEMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000183304108 408375501 /nfs/dbraw/zinc/37/55/01/408375501.db2.gz VSRKPJOYLAEETO-OAHLLOKOSA-N 2 1 312.421 1.696 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000177039376 408503365 /nfs/dbraw/zinc/50/33/65/408503365.db2.gz XFONRDAQQSMBOH-HNNXBMFYSA-N 2 1 313.405 1.824 10 0 DDAEMP Cc1cnn(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000634645179 422528080 /nfs/dbraw/zinc/52/80/80/422528080.db2.gz IPPJXYWKZIGBJV-SFHVURJKSA-N 2 1 314.433 1.418 10 0 DDAEMP Cc1cnn(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000634645179 422528085 /nfs/dbraw/zinc/52/80/85/422528085.db2.gz IPPJXYWKZIGBJV-SFHVURJKSA-N 2 1 314.433 1.418 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000262296108 288218623 /nfs/dbraw/zinc/21/86/23/288218623.db2.gz YQMAHPXVYGXZFX-HWWDLCQESA-N 2 1 315.461 1.821 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000120201167 281114880 /nfs/dbraw/zinc/11/48/80/281114880.db2.gz CYUOIROBFNFUTQ-HNNXBMFYSA-N 2 1 322.453 1.837 10 0 DDAEMP Cc1nccn1CCCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122429400 281156395 /nfs/dbraw/zinc/15/63/95/281156395.db2.gz ZUDSSFRGAWDXAO-GOEBONIOSA-N 2 1 321.469 1.952 10 0 DDAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122429400 281156397 /nfs/dbraw/zinc/15/63/97/281156397.db2.gz ZUDSSFRGAWDXAO-GOEBONIOSA-N 2 1 321.469 1.952 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396374745 483994089 /nfs/dbraw/zinc/99/40/89/483994089.db2.gz OHWPEOMRZSJOPS-HLLBOEOZSA-N 2 1 301.434 1.575 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396374745 483994095 /nfs/dbraw/zinc/99/40/95/483994095.db2.gz OHWPEOMRZSJOPS-HLLBOEOZSA-N 2 1 301.434 1.575 10 0 DDAEMP C[N@H+]1CCC[C@@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087867944 185234090 /nfs/dbraw/zinc/23/40/90/185234090.db2.gz LGGKBFLSQKRKPK-QMMMGPOBSA-N 2 1 315.219 1.278 10 0 DDAEMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171897476 198003847 /nfs/dbraw/zinc/00/38/47/198003847.db2.gz PWOKUKGBKMNSNI-IAGOWNOFSA-N 2 1 316.449 1.779 10 0 DDAEMP CCC[NH2+][C@@H]1CCC[C@H]1CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000093554670 193267248 /nfs/dbraw/zinc/26/72/48/193267248.db2.gz SNJKRVQDHPOJDP-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP [NH3+]CCCC[NH+]1CCN([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364426 193365894 /nfs/dbraw/zinc/36/58/94/193365894.db2.gz HNJQDSOCWSHSLP-HOTGVXAUSA-N 2 1 313.511 1.398 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000184235498 296183255 /nfs/dbraw/zinc/18/32/55/296183255.db2.gz SEOQQRNGDLIHAX-LSDHHAIUSA-N 2 1 311.470 1.199 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000173847514 248350196 /nfs/dbraw/zinc/35/01/96/248350196.db2.gz BBRAGOJGTFVJHB-GVDBMIGSSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000173847514 248350200 /nfs/dbraw/zinc/35/02/00/248350200.db2.gz BBRAGOJGTFVJHB-GVDBMIGSSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000173847514 248350204 /nfs/dbraw/zinc/35/02/04/248350204.db2.gz BBRAGOJGTFVJHB-GVDBMIGSSA-N 2 1 322.497 1.987 10 0 DDAEMP CNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915724 407357726 /nfs/dbraw/zinc/35/77/26/407357726.db2.gz AREHCULCPAJNSA-KRWDZBQOSA-N 2 1 319.449 1.110 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000152389399 407630047 /nfs/dbraw/zinc/63/00/47/407630047.db2.gz FVTQQSMUIUMIDF-IAGOWNOFSA-N 2 1 320.481 1.763 10 0 DDAEMP Cn1c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000262036998 407720964 /nfs/dbraw/zinc/72/09/64/407720964.db2.gz XTVAGDKPNQOGTL-XQQFMLRXSA-N 2 1 303.431 1.769 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262489567 407847649 /nfs/dbraw/zinc/84/76/49/407847649.db2.gz KVIIBQMUNOYFAW-BBWFWOEESA-N 2 1 301.434 1.623 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262489567 407847652 /nfs/dbraw/zinc/84/76/52/407847652.db2.gz KVIIBQMUNOYFAW-BBWFWOEESA-N 2 1 301.434 1.623 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000263297851 408096260 /nfs/dbraw/zinc/09/62/60/408096260.db2.gz WQHTYKRNJJTROK-PWSUYJOCSA-N 2 1 322.302 1.437 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000246457235 408260074 /nfs/dbraw/zinc/26/00/74/408260074.db2.gz PGMXSACJUJADNQ-CVEARBPZSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000246457235 408260082 /nfs/dbraw/zinc/26/00/82/408260082.db2.gz PGMXSACJUJADNQ-CVEARBPZSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000246457235 408260088 /nfs/dbraw/zinc/26/00/88/408260088.db2.gz PGMXSACJUJADNQ-CVEARBPZSA-N 2 1 310.486 1.890 10 0 DDAEMP c1cnnc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000246278180 408202124 /nfs/dbraw/zinc/20/21/24/408202124.db2.gz BGZLWJFMASFQOQ-PMPSAXMXSA-N 2 1 301.438 1.662 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246355308 408231228 /nfs/dbraw/zinc/23/12/28/408231228.db2.gz PNPOTTBSUYOBRZ-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246355308 408231234 /nfs/dbraw/zinc/23/12/34/408231234.db2.gz PNPOTTBSUYOBRZ-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246355308 408231241 /nfs/dbraw/zinc/23/12/41/408231241.db2.gz PNPOTTBSUYOBRZ-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246369354 408233315 /nfs/dbraw/zinc/23/33/15/408233315.db2.gz LVQYQEHFOLPAJW-WBVHZDCISA-N 2 1 322.497 1.144 10 0 DDAEMP CC(C)[NH+]1CCN(CCCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000249459666 408729028 /nfs/dbraw/zinc/72/90/28/408729028.db2.gz ZBFYDBOYGKQUEV-MSOLQXFVSA-N 2 1 308.514 1.571 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000249459666 408729031 /nfs/dbraw/zinc/72/90/31/408729031.db2.gz ZBFYDBOYGKQUEV-MSOLQXFVSA-N 2 1 308.514 1.571 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000249459666 408729039 /nfs/dbraw/zinc/72/90/39/408729039.db2.gz ZBFYDBOYGKQUEV-MSOLQXFVSA-N 2 1 308.514 1.571 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000120201325 281114949 /nfs/dbraw/zinc/11/49/49/281114949.db2.gz CYUOIROBFNFUTQ-OAHLLOKOSA-N 2 1 322.453 1.837 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712621 281189518 /nfs/dbraw/zinc/18/95/18/281189518.db2.gz HYEAUWJYGYXLBN-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497222931 302693357 /nfs/dbraw/zinc/69/33/57/302693357.db2.gz QYVAMGLOJIIWTC-IHRRRGAJSA-N 2 1 315.458 1.144 10 0 DDAEMP CCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OCCC)c1 ZINC000262073000 484261344 /nfs/dbraw/zinc/26/13/44/484261344.db2.gz CTKOYQREOFCOQP-WBVHZDCISA-N 2 1 322.449 1.934 10 0 DDAEMP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309773550 484379886 /nfs/dbraw/zinc/37/98/86/484379886.db2.gz IHRPPAAIFTYJJH-AKHDSKFASA-N 2 1 318.461 1.884 10 0 DDAEMP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000261905463 698444333 /nfs/dbraw/zinc/44/43/33/698444333.db2.gz VQBVMTPDNBUXLC-GXTWGEPZSA-N 2 1 318.421 1.060 10 0 DDAEMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336424 699229391 /nfs/dbraw/zinc/22/93/91/699229391.db2.gz PIEUOMLXZVVRDV-KURKYZTESA-N 2 1 304.434 1.448 10 0 DDAEMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336424 699229393 /nfs/dbraw/zinc/22/93/93/699229393.db2.gz PIEUOMLXZVVRDV-KURKYZTESA-N 2 1 304.434 1.448 10 0 DDAEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336424 699229394 /nfs/dbraw/zinc/22/93/94/699229394.db2.gz PIEUOMLXZVVRDV-KURKYZTESA-N 2 1 304.434 1.448 10 0 DDAEMP C[C@]1(C[NH2+]Cc2sccc2Br)COC[C@H]1[NH3+] ZINC000087576088 185228538 /nfs/dbraw/zinc/22/85/38/185228538.db2.gz NZBRNFLNASZVPQ-MNOVXSKESA-N 2 1 305.241 1.964 10 0 DDAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)N(C)Cc1ccsc1 ZINC000090332429 185291594 /nfs/dbraw/zinc/29/15/94/185291594.db2.gz JKGCRRJOQQPLRO-RBSFLKMASA-N 2 1 307.463 1.636 10 0 DDAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)N(C)Cc1ccsc1 ZINC000090332429 185291595 /nfs/dbraw/zinc/29/15/95/185291595.db2.gz JKGCRRJOQQPLRO-RBSFLKMASA-N 2 1 307.463 1.636 10 0 DDAEMP Cc1c[nH+]c(N)c(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675078827 539562984 /nfs/dbraw/zinc/56/29/84/539562984.db2.gz UHNVBYCMWPVXSA-GFCCVEGCSA-N 2 1 304.394 1.934 10 0 DDAEMP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379455024 354626185 /nfs/dbraw/zinc/62/61/85/354626185.db2.gz MSXBYWWFCILLLF-DLBZAZTESA-N 2 1 301.434 1.767 10 0 DDAEMP C[NH2+][C@@H](C)CCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533515 192284308 /nfs/dbraw/zinc/28/43/08/192284308.db2.gz GUGZSZBFZXTUDO-JTQLQIEISA-N 2 1 305.348 1.891 10 0 DDAEMP C[NH2+][C@@H](C)CCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533515 192284311 /nfs/dbraw/zinc/28/43/11/192284311.db2.gz GUGZSZBFZXTUDO-JTQLQIEISA-N 2 1 305.348 1.891 10 0 DDAEMP COc1c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000237140441 202163432 /nfs/dbraw/zinc/16/34/32/202163432.db2.gz OHBASBSXWDVNCX-OKILXGFUSA-N 2 1 324.469 1.716 10 0 DDAEMP COC(=O)[C@@](C)(CCC[N@@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145370 194394997 /nfs/dbraw/zinc/39/49/97/194394997.db2.gz FZWUVWVOMASZDX-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP C[NH2+]Cc1c(Cl)cccc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062981935 184264048 /nfs/dbraw/zinc/26/40/48/184264048.db2.gz KLKSAJHGMFYRPH-CYBMUJFWSA-N 2 1 309.841 1.970 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000106910260 407366654 /nfs/dbraw/zinc/36/66/54/407366654.db2.gz REVZNDOJNAWPMA-DLBZAZTESA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106910260 407366656 /nfs/dbraw/zinc/36/66/56/407366656.db2.gz REVZNDOJNAWPMA-DLBZAZTESA-N 2 1 303.450 1.760 10 0 DDAEMP COCCN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000262052670 407725625 /nfs/dbraw/zinc/72/56/25/407725625.db2.gz ZTQCZONOAGYVTH-MRXNPFEDSA-N 2 1 306.454 1.738 10 0 DDAEMP COCCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000262052670 407725632 /nfs/dbraw/zinc/72/56/32/407725632.db2.gz ZTQCZONOAGYVTH-MRXNPFEDSA-N 2 1 306.454 1.738 10 0 DDAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000263222637 408064355 /nfs/dbraw/zinc/06/43/55/408064355.db2.gz MEYOKZJOGVZKNY-JQWIXIFHSA-N 2 1 315.211 1.128 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1OCC(C)C ZINC000263253689 408075939 /nfs/dbraw/zinc/07/59/39/408075939.db2.gz QGJKGFRQJGQIIA-HOTGVXAUSA-N 2 1 322.449 1.790 10 0 DDAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246026326 408121216 /nfs/dbraw/zinc/12/12/16/408121216.db2.gz RDQDWKRZQOAKBR-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246264736 408196583 /nfs/dbraw/zinc/19/65/83/408196583.db2.gz LIVCYVHVHSRGOZ-INMHGKMJSA-N 2 1 319.449 1.502 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246264736 408196591 /nfs/dbraw/zinc/19/65/91/408196591.db2.gz LIVCYVHVHSRGOZ-INMHGKMJSA-N 2 1 319.449 1.502 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000176242477 408321340 /nfs/dbraw/zinc/32/13/40/408321340.db2.gz SASITTAXUWHWAZ-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP O=C(c1ccnc(-n2ccnc2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195051241 163303691 /nfs/dbraw/zinc/30/36/91/163303691.db2.gz KOLPSHNEYBVDDN-HNNXBMFYSA-N 2 1 311.389 1.578 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261841334 163713540 /nfs/dbraw/zinc/71/35/40/163713540.db2.gz AIWXPJRJRIIIIK-KZNAEPCWSA-N 2 1 303.450 1.870 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000174238098 279317847 /nfs/dbraw/zinc/31/78/47/279317847.db2.gz PNPOTTBSUYOBRZ-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000174238098 279317851 /nfs/dbraw/zinc/31/78/51/279317851.db2.gz PNPOTTBSUYOBRZ-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000174238098 279317855 /nfs/dbraw/zinc/31/78/55/279317855.db2.gz PNPOTTBSUYOBRZ-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP C[C@@]1(C[NH2+]Cc2sccc2Br)COC[C@@H]1[NH3+] ZINC000087576087 185228595 /nfs/dbraw/zinc/22/85/95/185228595.db2.gz NZBRNFLNASZVPQ-WDEREUQCSA-N 2 1 305.241 1.964 10 0 DDAEMP C[N@H+]1CCC[C@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087867943 185234250 /nfs/dbraw/zinc/23/42/50/185234250.db2.gz LGGKBFLSQKRKPK-MRVPVSSYSA-N 2 1 315.219 1.278 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000255175782 282239398 /nfs/dbraw/zinc/23/93/98/282239398.db2.gz DAOGOHUVYZNTSD-JKSUJKDBSA-N 2 1 312.502 1.994 10 0 DDAEMP CCC[C@@H]1C[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702643 193295414 /nfs/dbraw/zinc/29/54/14/193295414.db2.gz OIKCEFNSPAHQLQ-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP CCC[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CCC[NH2+]1 ZINC000093702643 193295416 /nfs/dbraw/zinc/29/54/16/193295416.db2.gz OIKCEFNSPAHQLQ-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP CCC[N@H+](CC(=O)NC(=O)NCC(C)C)CC(C)(C)C[NH3+] ZINC000093892033 193324060 /nfs/dbraw/zinc/32/40/60/193324060.db2.gz DFHGRMFQEBLKNB-UHFFFAOYSA-N 2 1 300.447 1.165 10 0 DDAEMP CCC[N@@H+](CC(=O)NC(=O)NCC(C)C)CC(C)(C)C[NH3+] ZINC000093892033 193324062 /nfs/dbraw/zinc/32/40/62/193324062.db2.gz DFHGRMFQEBLKNB-UHFFFAOYSA-N 2 1 300.447 1.165 10 0 DDAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638856 193387884 /nfs/dbraw/zinc/38/78/84/193387884.db2.gz GELWEDKJEUZRGJ-UXXRCYHCSA-N 2 1 300.468 1.272 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1C[NH3+] ZINC000094459107 193371036 /nfs/dbraw/zinc/37/10/36/193371036.db2.gz CZADHQZEAVPINV-TZMCWYRMSA-N 2 1 309.435 1.003 10 0 DDAEMP C[NH2+]Cc1cc(Br)cnc1N1CC[N@@H+](C)[C@@H](C)C1 ZINC000110748782 194356417 /nfs/dbraw/zinc/35/64/17/194356417.db2.gz KUAILNPMVNGOCT-JTQLQIEISA-N 2 1 313.243 1.704 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nnc(C3CC3)n2C)CC1 ZINC000069818051 406775880 /nfs/dbraw/zinc/77/58/80/406775880.db2.gz YGGQHYVYUCWOPV-ZDUSSCGKSA-N 2 1 321.469 1.217 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnc(C3CC3)n2C)CC1 ZINC000069818051 406775883 /nfs/dbraw/zinc/77/58/83/406775883.db2.gz YGGQHYVYUCWOPV-ZDUSSCGKSA-N 2 1 321.469 1.217 10 0 DDAEMP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105100502 407353127 /nfs/dbraw/zinc/35/31/27/407353127.db2.gz XTXIKMXQEKCFCL-INIZCTEOSA-N 2 1 306.454 1.493 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)C[NH+]1CCCC1 ZINC000113598037 407519971 /nfs/dbraw/zinc/51/99/71/407519971.db2.gz UWKRRGUTDYQIGI-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261781044 407612369 /nfs/dbraw/zinc/61/23/69/407612369.db2.gz PNBDJGWYNCWBQP-MOPGFXCFSA-N 2 1 323.440 1.977 10 0 DDAEMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000261781044 407612374 /nfs/dbraw/zinc/61/23/74/407612374.db2.gz PNBDJGWYNCWBQP-MOPGFXCFSA-N 2 1 323.440 1.977 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000129925434 407636933 /nfs/dbraw/zinc/63/69/33/407636933.db2.gz ANGRUYHRELSXEW-KLZNWCGWSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000129925434 407636937 /nfs/dbraw/zinc/63/69/37/407636937.db2.gz ANGRUYHRELSXEW-KLZNWCGWSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129925434 407636941 /nfs/dbraw/zinc/63/69/41/407636941.db2.gz ANGRUYHRELSXEW-KLZNWCGWSA-N 2 1 320.481 1.880 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261841324 407638262 /nfs/dbraw/zinc/63/82/62/407638262.db2.gz AIWXPJRJRIIIIK-KSZLIROESA-N 2 1 303.450 1.870 10 0 DDAEMP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261888029 407655752 /nfs/dbraw/zinc/65/57/52/407655752.db2.gz GCXKUSPRGNHYJE-BRWVUGGUSA-N 2 1 304.434 1.984 10 0 DDAEMP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261888030 407658006 /nfs/dbraw/zinc/65/80/06/407658006.db2.gz GCXKUSPRGNHYJE-GVDBMIGSSA-N 2 1 304.434 1.984 10 0 DDAEMP COCCN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261929647 407675164 /nfs/dbraw/zinc/67/51/64/407675164.db2.gz LKLAMDFBCBGLHV-JYJNAYRXSA-N 2 1 304.438 1.333 10 0 DDAEMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cn1 ZINC000261924702 407676454 /nfs/dbraw/zinc/67/64/54/407676454.db2.gz KVFJBNSKXRYZCQ-XHSDSOJGSA-N 2 1 304.438 1.394 10 0 DDAEMP Cn1c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000262037000 407719661 /nfs/dbraw/zinc/71/96/61/407719661.db2.gz XTVAGDKPNQOGTL-YNEHKIRRSA-N 2 1 303.431 1.769 10 0 DDAEMP CCNC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262075772 407731307 /nfs/dbraw/zinc/73/13/07/407731307.db2.gz DGQYBGPIVYTHAG-CQSZACIVSA-N 2 1 307.463 1.828 10 0 DDAEMP CCNC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262075772 407731313 /nfs/dbraw/zinc/73/13/13/407731313.db2.gz DGQYBGPIVYTHAG-CQSZACIVSA-N 2 1 307.463 1.828 10 0 DDAEMP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000237961760 407856969 /nfs/dbraw/zinc/85/69/69/407856969.db2.gz PYVPKLHIHFSVBB-DLBZAZTESA-N 2 1 317.433 1.262 10 0 DDAEMP CCN(C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847380 408079044 /nfs/dbraw/zinc/07/90/44/408079044.db2.gz JZFQNLURJZGMMN-DLBZAZTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847380 408079050 /nfs/dbraw/zinc/07/90/50/408079050.db2.gz JZFQNLURJZGMMN-DLBZAZTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847380 408079068 /nfs/dbraw/zinc/07/90/68/408079068.db2.gz JZFQNLURJZGMMN-DLBZAZTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847380 408079075 /nfs/dbraw/zinc/07/90/75/408079075.db2.gz JZFQNLURJZGMMN-DLBZAZTESA-N 2 1 301.434 1.986 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246390973 408241765 /nfs/dbraw/zinc/24/17/65/408241765.db2.gz QZZHBGKDGZZNFD-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000246390973 408241770 /nfs/dbraw/zinc/24/17/70/408241770.db2.gz QZZHBGKDGZZNFD-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000246390973 408241774 /nfs/dbraw/zinc/24/17/74/408241774.db2.gz QZZHBGKDGZZNFD-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176323158 408339887 /nfs/dbraw/zinc/33/98/87/408339887.db2.gz KDEWCUITBDHJDN-MRXNPFEDSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176316968 408337105 /nfs/dbraw/zinc/33/71/05/408337105.db2.gz LPALRPGNVSTYDD-HZPDHXFCSA-N 2 1 319.453 1.850 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176316968 408337108 /nfs/dbraw/zinc/33/71/08/408337108.db2.gz LPALRPGNVSTYDD-HZPDHXFCSA-N 2 1 319.453 1.850 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000247025868 408389759 /nfs/dbraw/zinc/38/97/59/408389759.db2.gz GETJKKVGOKMCME-ZBFHGGJFSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000247025868 408389765 /nfs/dbraw/zinc/38/97/65/408389765.db2.gz GETJKKVGOKMCME-ZBFHGGJFSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000247025868 408389770 /nfs/dbraw/zinc/38/97/70/408389770.db2.gz GETJKKVGOKMCME-ZBFHGGJFSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247595547 408495384 /nfs/dbraw/zinc/49/53/84/408495384.db2.gz SFTGEAVALVHGEJ-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247595547 408495388 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322.449 1.790 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246040463 408125527 /nfs/dbraw/zinc/12/55/27/408125527.db2.gz XVPDLMVTBGNMMS-QXSJWSMHSA-N 2 1 311.470 1.283 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246040463 408125533 /nfs/dbraw/zinc/12/55/33/408125533.db2.gz XVPDLMVTBGNMMS-QXSJWSMHSA-N 2 1 311.470 1.283 10 0 DDAEMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000102 408384978 /nfs/dbraw/zinc/38/49/78/408384978.db2.gz FMGQUNJMRLSISA-HOTGVXAUSA-N 2 1 309.454 1.184 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000102 408384985 /nfs/dbraw/zinc/38/49/85/408384985.db2.gz FMGQUNJMRLSISA-HOTGVXAUSA-N 2 1 309.454 1.184 10 0 DDAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247313770 408449677 /nfs/dbraw/zinc/44/96/77/408449677.db2.gz OFQXEEQKSNBPES-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000247313770 408449684 /nfs/dbraw/zinc/44/96/84/408449684.db2.gz OFQXEEQKSNBPES-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000247313770 408449689 /nfs/dbraw/zinc/44/96/89/408449689.db2.gz OFQXEEQKSNBPES-OWCLPIDISA-N 2 1 308.470 1.596 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)[nH+]1 ZINC000247579734 408495493 /nfs/dbraw/zinc/49/54/93/408495493.db2.gz IHCXPXCPJCEJFN-JKSUJKDBSA-N 2 1 315.421 1.381 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)[nH+]1 ZINC000247579734 408495496 /nfs/dbraw/zinc/49/54/96/408495496.db2.gz IHCXPXCPJCEJFN-JKSUJKDBSA-N 2 1 315.421 1.381 10 0 DDAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247473002 408474127 /nfs/dbraw/zinc/47/41/27/408474127.db2.gz HMDAQJNJKMULJX-HOTGVXAUSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247473002 408474132 /nfs/dbraw/zinc/47/41/32/408474132.db2.gz HMDAQJNJKMULJX-HOTGVXAUSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247473002 408474139 /nfs/dbraw/zinc/47/41/39/408474139.db2.gz HMDAQJNJKMULJX-HOTGVXAUSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248496865 408578606 /nfs/dbraw/zinc/57/86/06/408578606.db2.gz QYOASFMBPWEAIB-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177314078 408578895 /nfs/dbraw/zinc/57/88/95/408578895.db2.gz VHTHXQDBVJXSNL-INIZCTEOSA-N 2 1 310.486 1.985 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000191337320 163182676 /nfs/dbraw/zinc/18/26/76/163182676.db2.gz MBFUZMABOMYCPV-YJBOKZPZSA-N 2 1 312.498 1.952 10 0 DDAEMP O[C@H](C[NH+]1CCN(CC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000132282649 196241491 /nfs/dbraw/zinc/24/14/91/196241491.db2.gz CLPPSOUGSKFOPU-LJQANCHMSA-N 2 1 317.477 1.824 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263330361 287275770 /nfs/dbraw/zinc/27/57/70/287275770.db2.gz UUHVVALFPKROPH-CQSZACIVSA-N 2 1 301.434 1.897 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000389988190 418753067 /nfs/dbraw/zinc/75/30/67/418753067.db2.gz NAOOWGVPXADVTK-SPUZQDLCSA-N 2 1 315.461 1.998 10 0 DDAEMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638108494 422669795 /nfs/dbraw/zinc/66/97/95/422669795.db2.gz NOXBHJRYTRQIAX-USXIJHARSA-N 2 1 317.433 1.226 10 0 DDAEMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000190137252 263444687 /nfs/dbraw/zinc/44/46/87/263444687.db2.gz OGXKCMGALDPOFE-INIZCTEOSA-N 2 1 310.486 1.988 10 0 DDAEMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261890291 277016908 /nfs/dbraw/zinc/01/69/08/277016908.db2.gz GKODMTUGBXNOTQ-GVDBMIGSSA-N 2 1 317.433 1.293 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246855414 288305590 /nfs/dbraw/zinc/30/55/90/288305590.db2.gz DIECJDIZAONFQZ-MKXGPGLRSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246855414 288305592 /nfs/dbraw/zinc/30/55/92/288305592.db2.gz DIECJDIZAONFQZ-MKXGPGLRSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1CCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246855414 288305594 /nfs/dbraw/zinc/30/55/94/288305594.db2.gz DIECJDIZAONFQZ-MKXGPGLRSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261787333 297016801 /nfs/dbraw/zinc/01/68/01/297016801.db2.gz PVZDMMXLZZNQMK-BPKGMFCQSA-N 2 1 323.481 1.462 10 0 DDAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261787333 297016804 /nfs/dbraw/zinc/01/68/04/297016804.db2.gz PVZDMMXLZZNQMK-BPKGMFCQSA-N 2 1 323.481 1.462 10 0 DDAEMP [NH3+]C1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309704672 490732901 /nfs/dbraw/zinc/73/29/01/490732901.db2.gz HIVVIUJAKZRZPP-MRXNPFEDSA-N 2 1 317.433 1.133 10 0 DDAEMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000907558664 712594893 /nfs/dbraw/zinc/59/48/93/712594893.db2.gz HWJJRBHTGOGPHK-LSDHHAIUSA-N 2 1 304.438 1.684 10 0 DDAEMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000907558664 712594894 /nfs/dbraw/zinc/59/48/94/712594894.db2.gz HWJJRBHTGOGPHK-LSDHHAIUSA-N 2 1 304.438 1.684 10 0 DDAEMP C[NH2+][C@@H]1COC[C@@H]1C[NH2+]Cc1sccc1Br ZINC000087575907 185228784 /nfs/dbraw/zinc/22/87/84/185228784.db2.gz PQHJDNXWGLIHDK-WCBMZHEXSA-N 2 1 305.241 1.835 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000249763240 282194652 /nfs/dbraw/zinc/19/46/52/282194652.db2.gz MRVQRUSFOIMHSP-JYJNAYRXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000249763240 282194654 /nfs/dbraw/zinc/19/46/54/282194654.db2.gz MRVQRUSFOIMHSP-JYJNAYRXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000249763240 282194657 /nfs/dbraw/zinc/19/46/57/282194657.db2.gz MRVQRUSFOIMHSP-JYJNAYRXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC(C)C[NH2+]Cc1cn(CC[N@@H+](C)CCC(F)(F)F)nn1 ZINC000088437504 185250435 /nfs/dbraw/zinc/25/04/35/185250435.db2.gz YSAIJZRQZBLLPC-UHFFFAOYSA-N 2 1 307.364 1.908 10 0 DDAEMP C[NH2+][C@@H]1COC[C@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000090438625 185296555 /nfs/dbraw/zinc/29/65/55/185296555.db2.gz POVWDDCDECTUAU-CZUORRHYSA-N 2 1 309.841 1.696 10 0 DDAEMP C[NH2+]CCc1nc2cc(C)ccc2n1CC[NH+]1CCOCC1 ZINC000071667029 191002232 /nfs/dbraw/zinc/00/22/32/191002232.db2.gz BXSBSGDXWXNUNU-UHFFFAOYSA-N 2 1 302.422 1.439 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262314727 291210114 /nfs/dbraw/zinc/21/01/14/291210114.db2.gz QSQGPAUXYGLPTF-YVSFHVDLSA-N 2 1 323.481 1.476 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000262314727 291210117 /nfs/dbraw/zinc/21/01/17/291210117.db2.gz QSQGPAUXYGLPTF-YVSFHVDLSA-N 2 1 323.481 1.476 10 0 DDAEMP CCC[NH2+][C@]1(CO)CC[C@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093856795 193319566 /nfs/dbraw/zinc/31/95/66/193319566.db2.gz NIXIMAFDYVPAJQ-JKSUJKDBSA-N 2 1 302.459 1.255 10 0 DDAEMP CS(=O)(=O)[C@H]1CCC[C@H]1[N@@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021524 193339411 /nfs/dbraw/zinc/33/94/11/193339411.db2.gz VKHIHGJWQXJFIJ-CABCVRRESA-N 2 1 300.468 1.416 10 0 DDAEMP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000040716242 183123046 /nfs/dbraw/zinc/12/30/46/183123046.db2.gz YWRMHXJCWHZFIU-JSGCOSHPSA-N 2 1 311.451 1.340 10 0 DDAEMP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040716242 183123048 /nfs/dbraw/zinc/12/30/48/183123048.db2.gz YWRMHXJCWHZFIU-JSGCOSHPSA-N 2 1 311.451 1.340 10 0 DDAEMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105144399 194079217 /nfs/dbraw/zinc/07/92/17/194079217.db2.gz LXXFUNNQIGTDBZ-GOEBONIOSA-N 2 1 306.454 1.350 10 0 DDAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105144399 194079218 /nfs/dbraw/zinc/07/92/18/194079218.db2.gz LXXFUNNQIGTDBZ-GOEBONIOSA-N 2 1 306.454 1.350 10 0 DDAEMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105144399 194079220 /nfs/dbraw/zinc/07/92/20/194079220.db2.gz LXXFUNNQIGTDBZ-GOEBONIOSA-N 2 1 306.454 1.350 10 0 DDAEMP CC(C)c1nnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1C ZINC000105862741 194149946 /nfs/dbraw/zinc/14/99/46/194149946.db2.gz QCDSZYRDVCHAFS-AWEZNQCLSA-N 2 1 323.485 1.463 10 0 DDAEMP CC(C)c1nnc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1C ZINC000105862741 194149948 /nfs/dbraw/zinc/14/99/48/194149948.db2.gz QCDSZYRDVCHAFS-AWEZNQCLSA-N 2 1 323.485 1.463 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2F)CC1 ZINC000105862560 194149304 /nfs/dbraw/zinc/14/93/04/194149304.db2.gz CISZYARPVJXDDD-KSSFIOAISA-N 2 1 324.440 1.884 10 0 DDAEMP C[NH+]1CCN([C@@H]2COC[C@H]3C[N@H+](Cc4cccs4)C[C@H]32)CC1 ZINC000248100866 257110082 /nfs/dbraw/zinc/11/00/82/257110082.db2.gz DUTHOVDSRLHXFL-DJIMGWMZSA-N 2 1 321.490 1.442 10 0 DDAEMP C[NH+]1CCN([C@@H]2COC[C@H]3C[N@@H+](Cc4cccs4)C[C@H]32)CC1 ZINC000248100866 257110084 /nfs/dbraw/zinc/11/00/84/257110084.db2.gz DUTHOVDSRLHXFL-DJIMGWMZSA-N 2 1 321.490 1.442 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261748438 407599667 /nfs/dbraw/zinc/59/96/67/407599667.db2.gz NEKXUFLGXSONGE-OAHLLOKOSA-N 2 1 315.421 1.482 10 0 DDAEMP CN(Cc1noc(C[NH3+])n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261748438 407599673 /nfs/dbraw/zinc/59/96/73/407599673.db2.gz NEKXUFLGXSONGE-OAHLLOKOSA-N 2 1 315.421 1.482 10 0 DDAEMP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261936112 407679702 /nfs/dbraw/zinc/67/97/02/407679702.db2.gz MGNVQNQDYACGIR-GVDBMIGSSA-N 2 1 308.397 1.951 10 0 DDAEMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261985660 407701326 /nfs/dbraw/zinc/70/13/26/407701326.db2.gz SAVIKOFVZMHZOJ-BRWVUGGUSA-N 2 1 306.454 1.326 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000262258752 407777829 /nfs/dbraw/zinc/77/78/29/407777829.db2.gz JGRPESSVJRPGCC-XJKSGUPXSA-N 2 1 305.422 1.973 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000262302933 407790456 /nfs/dbraw/zinc/79/04/56/407790456.db2.gz OCKJZRQNZDKMEN-UAGQMJEPSA-N 2 1 319.449 1.377 10 0 DDAEMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000176018602 408264797 /nfs/dbraw/zinc/26/47/97/408264797.db2.gz GAGOVEPMHITATF-KRWDZBQOSA-N 2 1 320.481 1.883 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000172240692 162265696 /nfs/dbraw/zinc/26/56/96/162265696.db2.gz FJZUZQXDZOOENQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000246996246 408383676 /nfs/dbraw/zinc/38/36/76/408383676.db2.gz FJZUZQXDZOOENQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301623 408801845 /nfs/dbraw/zinc/80/18/45/408801845.db2.gz DFMYEDSCDMXAGX-HOCLYGCPSA-N 2 1 304.438 1.914 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301623 408801853 /nfs/dbraw/zinc/80/18/53/408801853.db2.gz DFMYEDSCDMXAGX-HOCLYGCPSA-N 2 1 304.438 1.914 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccnc1 ZINC000178310293 408803870 /nfs/dbraw/zinc/80/38/70/408803870.db2.gz FIBKWSDNCOPRTD-INIZCTEOSA-N 2 1 313.405 1.367 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccnc1 ZINC000178310293 408803875 /nfs/dbraw/zinc/80/38/75/408803875.db2.gz FIBKWSDNCOPRTD-INIZCTEOSA-N 2 1 313.405 1.367 10 0 DDAEMP CC(C)c1nnc2n1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000193088936 163248216 /nfs/dbraw/zinc/24/82/16/163248216.db2.gz NNTLVBUAQPJUPP-AVOUXACISA-N 2 1 303.454 1.931 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc(C)c1OC(F)F ZINC000263191550 163928062 /nfs/dbraw/zinc/92/80/62/163928062.db2.gz HYGBFZUYGDLTMX-QWHCGFSZSA-N 2 1 300.349 1.575 10 0 DDAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390778450 418755397 /nfs/dbraw/zinc/75/53/97/418755397.db2.gz PAZRYWZKYYXSLO-SJORKVTESA-N 2 1 303.450 1.998 10 0 DDAEMP C[C@]1(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261677424 274650591 /nfs/dbraw/zinc/65/05/91/274650591.db2.gz ABOWKCRAQKURHW-MSOLQXFVSA-N 2 1 303.450 1.337 10 0 DDAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309710973 490732830 /nfs/dbraw/zinc/73/28/30/490732830.db2.gz JFWUYOVQRZBKML-USXIJHARSA-N 2 1 303.450 1.998 10 0 DDAEMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261911299 698444245 /nfs/dbraw/zinc/44/42/45/698444245.db2.gz JCBINLAWCYDZSG-GVDBMIGSSA-N 2 1 320.433 1.951 10 0 DDAEMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261920674 698444878 /nfs/dbraw/zinc/44/48/78/698444878.db2.gz KGKCCHSBBHMDQX-ZACQAIPSSA-N 2 1 323.481 1.380 10 0 DDAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000724938443 699328423 /nfs/dbraw/zinc/32/84/23/699328423.db2.gz YGABAWZLXLIFPO-MHYDHLEJSA-N 2 1 316.445 1.902 10 0 DDAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000724938443 699328426 /nfs/dbraw/zinc/32/84/26/699328426.db2.gz YGABAWZLXLIFPO-MHYDHLEJSA-N 2 1 316.445 1.902 10 0 DDAEMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(O)cc1)CC[NH2+]CC2 ZINC000072425851 191159795 /nfs/dbraw/zinc/15/97/95/191159795.db2.gz ZBBWRXSAQPVJDB-MRXNPFEDSA-N 2 1 317.433 1.125 10 0 DDAEMP COC(=O)C1(c2ccccc2)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000034422329 352291894 /nfs/dbraw/zinc/29/18/94/352291894.db2.gz VAGVNCLIGLVJQC-UHFFFAOYSA-N 2 1 302.418 1.945 10 0 DDAEMP O=C(C1CC2(C1)CC[NH2+]CC2)N1CCC[N@H+](C2CCC2)CC1 ZINC000147146076 354163513 /nfs/dbraw/zinc/16/35/13/354163513.db2.gz RAAAZBURPGNTLF-UHFFFAOYSA-N 2 1 305.466 1.853 10 0 DDAEMP CCc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091720351 193097041 /nfs/dbraw/zinc/09/70/41/193097041.db2.gz HSPXHFDIGPOOIY-UHIISALHSA-N 2 1 312.845 1.369 10 0 DDAEMP CCc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091720351 193097042 /nfs/dbraw/zinc/09/70/42/193097042.db2.gz HSPXHFDIGPOOIY-UHIISALHSA-N 2 1 312.845 1.369 10 0 DDAEMP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000093486041 193258827 /nfs/dbraw/zinc/25/88/27/193258827.db2.gz VLQKHKTUMSTFHL-OCCSQVGLSA-N 2 1 311.451 1.344 10 0 DDAEMP [NH3+][C@@H]1CCC[C@H]1CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555758 193267002 /nfs/dbraw/zinc/26/70/02/193267002.db2.gz MBNBWLCLGXNVOB-VHSXEESVSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@@H]1CCC[C@H]1CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555758 193267003 /nfs/dbraw/zinc/26/70/03/193267003.db2.gz MBNBWLCLGXNVOB-VHSXEESVSA-N 2 1 303.332 1.630 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[N@@H+](C)CCC(F)(F)F ZINC000093596081 193271345 /nfs/dbraw/zinc/27/13/45/193271345.db2.gz ANCZVOKSAATGEQ-DGCLKSJQSA-N 2 1 309.376 1.894 10 0 DDAEMP COCCC[N@H+](CCOC)[C@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094424978 193368381 /nfs/dbraw/zinc/36/83/81/193368381.db2.gz GOJSVXXDMGMKPI-INIZCTEOSA-N 2 1 302.459 1.646 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094424978 193368382 /nfs/dbraw/zinc/36/83/82/193368382.db2.gz GOJSVXXDMGMKPI-INIZCTEOSA-N 2 1 302.459 1.646 10 0 DDAEMP COCCC[N@H+](CCOC)[C@@]1(C[NH3+])CSCCC1(C)C ZINC000094484158 193372546 /nfs/dbraw/zinc/37/25/46/193372546.db2.gz HQSYZRSKTLQGBE-HNNXBMFYSA-N 2 1 304.500 1.832 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@@]1(C[NH3+])CSCCC1(C)C ZINC000094484158 193372549 /nfs/dbraw/zinc/37/25/49/193372549.db2.gz HQSYZRSKTLQGBE-HNNXBMFYSA-N 2 1 304.500 1.832 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000174953661 248386060 /nfs/dbraw/zinc/38/60/60/248386060.db2.gz CMWIBANGGBCFDX-OAHLLOKOSA-N 2 1 311.470 1.286 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000174953661 248386063 /nfs/dbraw/zinc/38/60/63/248386063.db2.gz CMWIBANGGBCFDX-OAHLLOKOSA-N 2 1 311.470 1.286 10 0 DDAEMP CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000042945239 183319830 /nfs/dbraw/zinc/31/98/30/183319830.db2.gz AQHDRZRABOLWJN-CVEARBPZSA-N 2 1 311.857 1.728 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613727 /nfs/dbraw/zinc/61/37/27/407613727.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613734 /nfs/dbraw/zinc/61/37/34/407613734.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613737 /nfs/dbraw/zinc/61/37/37/407613737.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 1 302.466 1.835 10 0 DDAEMP C[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000261799551 407620691 /nfs/dbraw/zinc/62/06/91/407620691.db2.gz IRTIRSUGMRXGOT-CQSZACIVSA-N 2 1 305.422 1.131 10 0 DDAEMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261985659 407702013 /nfs/dbraw/zinc/70/20/13/407702013.db2.gz SAVIKOFVZMHZOJ-BBWFWOEESA-N 2 1 306.454 1.326 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000263297850 408095581 /nfs/dbraw/zinc/09/55/81/408095581.db2.gz WQHTYKRNJJTROK-JQWIXIFHSA-N 2 1 322.302 1.437 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCCCNC3=O)C2)[nH+]1 ZINC000245933824 408105891 /nfs/dbraw/zinc/10/58/91/408105891.db2.gz VINUWUVMTKQBPO-GJZGRUSLSA-N 2 1 302.422 1.793 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000246467191 408263156 /nfs/dbraw/zinc/26/31/56/408263156.db2.gz ZKSKVXBKVAEVOC-FZKCQIBNSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@H](NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000246467191 408263163 /nfs/dbraw/zinc/26/31/63/408263163.db2.gz ZKSKVXBKVAEVOC-FZKCQIBNSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@H](NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)[C@@H](C)C1 ZINC000246467191 408263171 /nfs/dbraw/zinc/26/31/71/408263171.db2.gz ZKSKVXBKVAEVOC-FZKCQIBNSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246292494 408209377 /nfs/dbraw/zinc/20/93/77/408209377.db2.gz KXZAMPPZNWOAMI-OAGGEKHMSA-N 2 1 312.502 1.944 10 0 DDAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246600311 408301617 /nfs/dbraw/zinc/30/16/17/408301617.db2.gz KNDKPGUABNETNQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246600311 408301620 /nfs/dbraw/zinc/30/16/20/408301620.db2.gz KNDKPGUABNETNQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246600311 408301628 /nfs/dbraw/zinc/30/16/28/408301628.db2.gz KNDKPGUABNETNQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000246776292 408336987 /nfs/dbraw/zinc/33/69/87/408336987.db2.gz CGWWCGKQLSBXMM-GDBMZVCRSA-N 2 1 310.486 1.887 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247181809 408424297 /nfs/dbraw/zinc/42/42/97/408424297.db2.gz RTZSRKGTHCREIE-GJZGRUSLSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247181809 408424301 /nfs/dbraw/zinc/42/43/01/408424301.db2.gz RTZSRKGTHCREIE-GJZGRUSLSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378912 408595304 /nfs/dbraw/zinc/59/53/04/408595304.db2.gz UBHKKFYOTKUYAP-KRWDZBQOSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@](C)(O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000161813187 408642729 /nfs/dbraw/zinc/64/27/29/408642729.db2.gz LNVBCNVZAJJLOA-QGZVFWFLSA-N 2 1 311.470 1.024 10 0 DDAEMP Cc1cccc2c(NC[C@H](O)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000301727333 410783083 /nfs/dbraw/zinc/78/30/83/410783083.db2.gz NIZNZHXSQCDSPS-AWEZNQCLSA-N 2 1 301.390 1.648 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638837275 423151150 /nfs/dbraw/zinc/15/11/50/423151150.db2.gz YRXIXPQQPHZHIQ-BGTYHANMSA-N 2 1 315.461 1.998 10 0 DDAEMP CC[N@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634716955 422580921 /nfs/dbraw/zinc/58/09/21/422580921.db2.gz CAAYEICAOCOUSD-ROUUACIJSA-N 2 1 303.450 1.307 10 0 DDAEMP CC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634716955 422580927 /nfs/dbraw/zinc/58/09/27/422580927.db2.gz CAAYEICAOCOUSD-ROUUACIJSA-N 2 1 303.450 1.307 10 0 DDAEMP CC[NH+]1CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634716955 422580935 /nfs/dbraw/zinc/58/09/35/422580935.db2.gz CAAYEICAOCOUSD-ROUUACIJSA-N 2 1 303.450 1.307 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000191337290 278395404 /nfs/dbraw/zinc/39/54/04/278395404.db2.gz BEGKDAXUHLFSCB-CRAIPNDOSA-N 2 1 312.498 1.952 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000333860839 289045861 /nfs/dbraw/zinc/04/58/61/289045861.db2.gz RZWOIXVPAHJSSP-QKPAOTATSA-N 2 1 324.469 1.009 10 0 DDAEMP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261877202 698442439 /nfs/dbraw/zinc/44/24/39/698442439.db2.gz DUFZMLJKYTWWPN-ZJPYXAASSA-N 2 1 304.434 1.775 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262030324 698451184 /nfs/dbraw/zinc/45/11/84/698451184.db2.gz XJWDGIRHMVSOOX-VVLHAWIVSA-N 2 1 308.397 1.606 10 0 DDAEMP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000262395625 698467865 /nfs/dbraw/zinc/46/78/65/698467865.db2.gz BUGAGXLSRMSXOE-WHOFXGATSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000262395625 698467866 /nfs/dbraw/zinc/46/78/66/698467866.db2.gz BUGAGXLSRMSXOE-WHOFXGATSA-N 2 1 306.406 1.882 10 0 DDAEMP C[NH2+][C@@H]1COC[C@H]1C[NH2+]Cc1sccc1Br ZINC000087575909 185228712 /nfs/dbraw/zinc/22/87/12/185228712.db2.gz PQHJDNXWGLIHDK-PSASIEDQSA-N 2 1 305.241 1.835 10 0 DDAEMP CN(c1nc(NN)[nH+]cc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000087869748 185234087 /nfs/dbraw/zinc/23/40/87/185234087.db2.gz ZJLJHFZWAUPSSC-MRVPVSSYSA-N 2 1 315.219 1.055 10 0 DDAEMP CN(c1nc(NN)[nH+]cc1Br)[C@@H]1CCC[N@@H+](C)C1 ZINC000087869748 185234088 /nfs/dbraw/zinc/23/40/88/185234088.db2.gz ZJLJHFZWAUPSSC-MRVPVSSYSA-N 2 1 315.219 1.055 10 0 DDAEMP CNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358151520 299089884 /nfs/dbraw/zinc/08/98/84/299089884.db2.gz JMUHGHIJOZWNMZ-ALOPSCKCSA-N 2 1 301.434 1.908 10 0 DDAEMP C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092678778 185333480 /nfs/dbraw/zinc/33/34/80/185333480.db2.gz JNOMSKOCUDAKMS-AWEZNQCLSA-N 2 1 311.451 1.121 10 0 DDAEMP C[NH+](C)CCOc1cc2c(cc1Br)[C@@H]([NH3+])C(=O)N2 ZINC000092776757 185339669 /nfs/dbraw/zinc/33/96/69/185339669.db2.gz YYYCHUZMFDYKGU-LLVKDONJSA-N 2 1 314.183 1.341 10 0 DDAEMP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185657 192010161 /nfs/dbraw/zinc/01/01/61/192010161.db2.gz BJDGTXKNFMMEHW-AWEZNQCLSA-N 2 1 319.515 1.497 10 0 DDAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185657 192010162 /nfs/dbraw/zinc/01/01/62/192010162.db2.gz BJDGTXKNFMMEHW-AWEZNQCLSA-N 2 1 319.515 1.497 10 0 DDAEMP CC(C)(C)CS(=O)(=O)N1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000080185634 192010524 /nfs/dbraw/zinc/01/05/24/192010524.db2.gz VXYRZSBGQNJTAG-UHFFFAOYSA-N 2 1 319.515 1.499 10 0 DDAEMP CCc1nn(C)c(C[C@H]([NH3+])C(C)(C)[NH+](C)C)c1Br ZINC000091528401 193069899 /nfs/dbraw/zinc/06/98/99/193069899.db2.gz DELKMFAWWSKHJC-NSHDSACASA-N 2 1 317.275 1.955 10 0 DDAEMP CCC[NH2+][C@]1(CO)CC[C@H]([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000093857013 193319891 /nfs/dbraw/zinc/31/98/91/193319891.db2.gz IARUJLLIRSRSMF-HRCADAONSA-N 2 1 302.459 1.253 10 0 DDAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094633989 193385092 /nfs/dbraw/zinc/38/50/92/193385092.db2.gz VGGNJTXCZIPEFH-TUVASFSCSA-N 2 1 302.484 1.662 10 0 DDAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094633989 193385094 /nfs/dbraw/zinc/38/50/94/193385094.db2.gz VGGNJTXCZIPEFH-TUVASFSCSA-N 2 1 302.484 1.662 10 0 DDAEMP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000040716251 183122443 /nfs/dbraw/zinc/12/24/43/183122443.db2.gz AFBFREPNKIKWDT-DZGCQCFKSA-N 2 1 311.451 1.469 10 0 DDAEMP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000040716251 183122444 /nfs/dbraw/zinc/12/24/44/183122444.db2.gz AFBFREPNKIKWDT-DZGCQCFKSA-N 2 1 311.451 1.469 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000176211458 285271870 /nfs/dbraw/zinc/27/18/70/285271870.db2.gz RGRRDDYNDDTPIO-HOTGVXAUSA-N 2 1 310.486 1.987 10 0 DDAEMP Cn1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](C[NH+](C)C4CC4)CO3)C2)n1 ZINC000248128708 257108063 /nfs/dbraw/zinc/10/80/63/257108063.db2.gz POPUYVGPGVCNDD-YJBOKZPZSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[N@H+]2CCC[C@]3(C[C@@H](C[NH+](C)C4CC4)CO3)C2)n1 ZINC000248128708 257108065 /nfs/dbraw/zinc/10/80/65/257108065.db2.gz POPUYVGPGVCNDD-YJBOKZPZSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[NH+]2CCC[C@]3(C[C@@H](C[N@H+](C)C4CC4)CO3)C2)n1 ZINC000248128708 257108067 /nfs/dbraw/zinc/10/80/67/257108067.db2.gz POPUYVGPGVCNDD-YJBOKZPZSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[NH+]2CCC[C@]3(C[C@@H](C[N@@H+](C)C4CC4)CO3)C2)n1 ZINC000248128708 257108068 /nfs/dbraw/zinc/10/80/68/257108068.db2.gz POPUYVGPGVCNDD-YJBOKZPZSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccoc4)C[C@H]3C2)cn1 ZINC000248103514 257110067 /nfs/dbraw/zinc/11/00/67/257110067.db2.gz FIQAFTYTDQRPLS-DLBZAZTESA-N 2 1 300.406 1.967 10 0 DDAEMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccoc4)C[C@H]3C2)cn1 ZINC000248103514 257110068 /nfs/dbraw/zinc/11/00/68/257110068.db2.gz FIQAFTYTDQRPLS-DLBZAZTESA-N 2 1 300.406 1.967 10 0 DDAEMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccoc4)C[C@H]3C2)cn1 ZINC000248103514 257110070 /nfs/dbraw/zinc/11/00/70/257110070.db2.gz FIQAFTYTDQRPLS-DLBZAZTESA-N 2 1 300.406 1.967 10 0 DDAEMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccoc4)C[C@H]3C2)cn1 ZINC000248103514 257110071 /nfs/dbraw/zinc/11/00/71/257110071.db2.gz FIQAFTYTDQRPLS-DLBZAZTESA-N 2 1 300.406 1.967 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000521396570 257240095 /nfs/dbraw/zinc/24/00/95/257240095.db2.gz VPTKJXJYMDIPGI-NWANDNLSSA-N 2 1 320.462 1.071 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000521396570 257240096 /nfs/dbraw/zinc/24/00/96/257240096.db2.gz VPTKJXJYMDIPGI-NWANDNLSSA-N 2 1 320.462 1.071 10 0 DDAEMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1C[NH2+]C1 ZINC000262532550 286776814 /nfs/dbraw/zinc/77/68/14/286776814.db2.gz MECHACUXCPKHAH-IAQYHMDHSA-N 2 1 309.841 1.914 10 0 DDAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000151913804 407524793 /nfs/dbraw/zinc/52/47/93/407524793.db2.gz AQXSZILTQAYVHC-HNNXBMFYSA-N 2 1 319.453 1.886 10 0 DDAEMP Cc1nc(CN2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)CC2)cs1 ZINC000261870537 407651673 /nfs/dbraw/zinc/65/16/73/407651673.db2.gz OQHWZDVZHJRMHV-MRXNPFEDSA-N 2 1 308.495 1.959 10 0 DDAEMP Cc1nc(CN2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)CC2)cs1 ZINC000261870537 407651678 /nfs/dbraw/zinc/65/16/78/407651678.db2.gz OQHWZDVZHJRMHV-MRXNPFEDSA-N 2 1 308.495 1.959 10 0 DDAEMP c1cc2c(c(CN[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905778 407662463 /nfs/dbraw/zinc/66/24/63/407662463.db2.gz IETXIHWDEGIWTP-KFWWJZLASA-N 2 1 304.390 1.662 10 0 DDAEMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905778 407662470 /nfs/dbraw/zinc/66/24/70/407662470.db2.gz IETXIHWDEGIWTP-KFWWJZLASA-N 2 1 304.390 1.662 10 0 DDAEMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262363609 407811119 /nfs/dbraw/zinc/81/11/19/407811119.db2.gz VKANWWDVFATMBA-FSDCSDTHSA-N 2 1 317.433 1.315 10 0 DDAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262363609 407811126 /nfs/dbraw/zinc/81/11/26/407811126.db2.gz VKANWWDVFATMBA-FSDCSDTHSA-N 2 1 317.433 1.315 10 0 DDAEMP COCCCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000117880157 407868098 /nfs/dbraw/zinc/86/80/98/407868098.db2.gz PSEIDLYYVJSOLU-KRWDZBQOSA-N 2 1 313.486 1.140 10 0 DDAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@](C)(O)c1ccccc1 ZINC000119289424 408033811 /nfs/dbraw/zinc/03/38/11/408033811.db2.gz VETTZAAWRPUETD-SFHVURJKSA-N 2 1 305.466 1.463 10 0 DDAEMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245712685 408050294 /nfs/dbraw/zinc/05/02/94/408050294.db2.gz ZROLFYYAKDRQRJ-RBUKOAKNSA-N 2 1 317.477 1.822 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000263217480 408061008 /nfs/dbraw/zinc/06/10/08/408061008.db2.gz LCZWPLLYWLUSSX-SJORKVTESA-N 2 1 313.401 1.331 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245846891 408079917 /nfs/dbraw/zinc/07/99/17/408079917.db2.gz FRWORPKDNRIEQU-NVXWUHKLSA-N 2 1 318.465 1.852 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270684 408085164 /nfs/dbraw/zinc/08/51/64/408085164.db2.gz SDOLIRQLIJMZRY-WMLDXEAASA-N 2 1 323.868 1.474 10 0 DDAEMP CC[N@@H+](CC(=O)[O-])C1CC(NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000263454041 408143268 /nfs/dbraw/zinc/14/32/68/408143268.db2.gz AJKAINALLXBFNF-UHFFFAOYSA-N 2 1 311.470 1.776 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246374100 408233832 /nfs/dbraw/zinc/23/38/32/408233832.db2.gz HTCZBGVGHHFKFO-SJORKVTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000246374100 408233838 /nfs/dbraw/zinc/23/38/38/408233838.db2.gz HTCZBGVGHHFKFO-SJORKVTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246374100 408233846 /nfs/dbraw/zinc/23/38/46/408233846.db2.gz HTCZBGVGHHFKFO-SJORKVTESA-N 2 1 322.497 1.844 10 0 DDAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171901102 162245992 /nfs/dbraw/zinc/24/59/92/162245992.db2.gz OGSRFKMXGVCTGA-IAGOWNOFSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171901102 162245996 /nfs/dbraw/zinc/24/59/96/162245996.db2.gz OGSRFKMXGVCTGA-IAGOWNOFSA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171901102 162245999 /nfs/dbraw/zinc/24/59/99/162245999.db2.gz OGSRFKMXGVCTGA-IAGOWNOFSA-N 2 1 322.497 1.988 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000173508298 162342545 /nfs/dbraw/zinc/34/25/45/162342545.db2.gz HHQFMUPLDVBYLP-INIZCTEOSA-N 2 1 308.470 1.598 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000247440271 408470554 /nfs/dbraw/zinc/47/05/54/408470554.db2.gz RYFUEWKUAXYIKV-HOSILWTGSA-N 2 1 308.470 1.640 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000247440271 408470563 /nfs/dbraw/zinc/47/05/63/408470563.db2.gz RYFUEWKUAXYIKV-HOSILWTGSA-N 2 1 308.470 1.640 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000247440271 408470572 /nfs/dbraw/zinc/47/05/72/408470572.db2.gz RYFUEWKUAXYIKV-HOSILWTGSA-N 2 1 308.470 1.640 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378897 408594315 /nfs/dbraw/zinc/59/43/15/408594315.db2.gz UBHKKFYOTKUYAP-QGZVFWFLSA-N 2 1 322.497 1.987 10 0 DDAEMP C[NH+](C)CC1(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000185168077 408773181 /nfs/dbraw/zinc/77/31/81/408773181.db2.gz WSNZXINYKGDNOD-MRXNPFEDSA-N 2 1 322.497 1.988 10 0 DDAEMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171903270 278340672 /nfs/dbraw/zinc/34/06/72/278340672.db2.gz IRKLPLUTWLGFIY-OAHLLOKOSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115801983 279122685 /nfs/dbraw/zinc/12/26/85/279122685.db2.gz BGYLZYVETSXXPB-HZPDHXFCSA-N 2 1 312.502 1.946 10 0 DDAEMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261819507 279338392 /nfs/dbraw/zinc/33/83/92/279338392.db2.gz SEHAVNPBABGBSV-OIISXLGYSA-N 2 1 303.450 1.916 10 0 DDAEMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389744 484030729 /nfs/dbraw/zinc/03/07/29/484030729.db2.gz HGELXBSKOXPFHW-YPMHNXCESA-N 2 1 305.344 1.225 10 0 DDAEMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000113389744 484030735 /nfs/dbraw/zinc/03/07/35/484030735.db2.gz HGELXBSKOXPFHW-YPMHNXCESA-N 2 1 305.344 1.225 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711382132 699257271 /nfs/dbraw/zinc/25/72/71/699257271.db2.gz DATZQWHCMJIANF-GOEBONIOSA-N 2 1 303.450 1.869 10 0 DDAEMP C(=C\CN1CC[N@H+]2CCC[C@@H]2C1)\CN1CC[NH+]2CCC[C@@H]2C1 ZINC000255567442 539275196 /nfs/dbraw/zinc/27/51/96/539275196.db2.gz SBCUBXAPHHRWMN-FKAFAWJWSA-N 2 1 304.482 1.103 10 0 DDAEMP Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000092626647 185330100 /nfs/dbraw/zinc/33/01/00/185330100.db2.gz OESDNFWZDIFVHJ-CQSZACIVSA-N 2 1 311.451 1.168 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1csc(C[NH3+])c1 ZINC000092680016 185333534 /nfs/dbraw/zinc/33/35/34/185333534.db2.gz YZJCNUAOZFGPFE-LLVKDONJSA-N 2 1 317.480 1.312 10 0 DDAEMP C[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000121154368 248274018 /nfs/dbraw/zinc/27/40/18/248274018.db2.gz HZJDORJPVYWSDN-HUUCEWRRSA-N 2 1 310.486 1.842 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCN(C)C)C(=O)OC ZINC000111145121 194394969 /nfs/dbraw/zinc/39/49/69/194394969.db2.gz PZIGZADMIYSUKS-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCN(C)C)C(=O)OC ZINC000111145121 194394971 /nfs/dbraw/zinc/39/49/71/194394971.db2.gz PZIGZADMIYSUKS-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000261639690 407563264 /nfs/dbraw/zinc/56/32/64/407563264.db2.gz IMWZWQWUTAPBHE-NWANDNLSSA-N 2 1 307.825 1.625 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000261639690 407563269 /nfs/dbraw/zinc/56/32/69/407563269.db2.gz IMWZWQWUTAPBHE-NWANDNLSSA-N 2 1 307.825 1.625 10 0 DDAEMP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000261765895 407606015 /nfs/dbraw/zinc/60/60/15/407606015.db2.gz GHARLPIHFJNJBL-INIZCTEOSA-N 2 1 317.433 1.275 10 0 DDAEMP O=C(CC[N@H+](Cc1cccc(O)c1)CC1CC1)N1CC[NH2+]CC1 ZINC000262035347 407721068 /nfs/dbraw/zinc/72/10/68/407721068.db2.gz HEAZDKQXUKQXRE-UHFFFAOYSA-N 2 1 317.433 1.426 10 0 DDAEMP CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000180621561 407902931 /nfs/dbraw/zinc/90/29/31/407902931.db2.gz DPDWPBQVLJJLKO-JKSUJKDBSA-N 2 1 306.454 1.803 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@@H](C)O ZINC000174637181 407973853 /nfs/dbraw/zinc/97/38/53/407973853.db2.gz VIZRYSXDHQUVEL-OAGGEKHMSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1C[C@@H](C)O ZINC000174637181 407973858 /nfs/dbraw/zinc/97/38/58/407973858.db2.gz VIZRYSXDHQUVEL-OAGGEKHMSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1C[C@@H](C)O ZINC000174637181 407973862 /nfs/dbraw/zinc/97/38/62/407973862.db2.gz VIZRYSXDHQUVEL-OAGGEKHMSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1C[C@@H](C)O ZINC000174637181 407973868 /nfs/dbraw/zinc/97/38/68/407973868.db2.gz VIZRYSXDHQUVEL-OAGGEKHMSA-N 2 1 311.470 1.164 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCN3CCO[C@H](C)C3)C2)[nH+]1 ZINC000191504395 408436737 /nfs/dbraw/zinc/43/67/37/408436737.db2.gz UCFSXEMCXFLDBS-IAGOWNOFSA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCN3CCO[C@H](C)C3)C2)[nH+]1 ZINC000191504395 408436743 /nfs/dbraw/zinc/43/67/43/408436743.db2.gz UCFSXEMCXFLDBS-IAGOWNOFSA-N 2 1 318.465 1.845 10 0 DDAEMP CCCCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247393603 408462565 /nfs/dbraw/zinc/46/25/65/408462565.db2.gz XKECUIXLZGHHQQ-LSDHHAIUSA-N 2 1 313.486 1.316 10 0 DDAEMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000191485754 163188871 /nfs/dbraw/zinc/18/88/71/163188871.db2.gz KHWHHDVHNQULJF-UHFFFAOYSA-N 2 1 307.486 1.660 10 0 DDAEMP C[C@H]1NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282239912 409017103 /nfs/dbraw/zinc/01/71/03/409017103.db2.gz IZSFNKAQXLBZCB-PBHICJAKSA-N 2 1 301.434 1.908 10 0 DDAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836199 423148948 /nfs/dbraw/zinc/14/89/48/423148948.db2.gz RLRTVBBBCHJRLB-XIRDDKMYSA-N 2 1 303.450 1.998 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000194138964 263504872 /nfs/dbraw/zinc/50/48/72/263504872.db2.gz KQBVIDVTJQSFBB-INIZCTEOSA-N 2 1 310.486 1.890 10 0 DDAEMP COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262039671 277921976 /nfs/dbraw/zinc/92/19/76/277921976.db2.gz YIEKYDXRUDQSKJ-RCCFBDPRSA-N 2 1 320.433 1.821 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000128294027 281306364 /nfs/dbraw/zinc/30/63/64/281306364.db2.gz SGCLXXQPKMEMKJ-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000128294027 281306367 /nfs/dbraw/zinc/30/63/67/281306367.db2.gz SGCLXXQPKMEMKJ-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000128294027 281306368 /nfs/dbraw/zinc/30/63/68/281306368.db2.gz SGCLXXQPKMEMKJ-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333805147 289045554 /nfs/dbraw/zinc/04/55/54/289045554.db2.gz IKHKRDAGOORWBQ-HUUCEWRRSA-N 2 1 324.469 1.153 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000106915862 289366917 /nfs/dbraw/zinc/36/69/17/289366917.db2.gz JGGPERMFTSVPEQ-ZWKOTPCHSA-N 2 1 315.461 1.856 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000263123485 518203677 /nfs/dbraw/zinc/20/36/77/518203677.db2.gz BCLDLXLJRDUISG-JOYOIKCWSA-N 2 1 319.630 1.772 10 0 DDAEMP CN(C)c1cc[nH+]c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000154345560 522304678 /nfs/dbraw/zinc/30/46/78/522304678.db2.gz SQYYLAMACTVLFV-GJZGRUSLSA-N 2 1 319.453 1.722 10 0 DDAEMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261911301 698443966 /nfs/dbraw/zinc/44/39/66/698443966.db2.gz JCBINLAWCYDZSG-ZACQAIPSSA-N 2 1 320.433 1.951 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1CC ZINC000262357677 698465825 /nfs/dbraw/zinc/46/58/25/698465825.db2.gz IDTYWGCXXHRXMF-JYJNAYRXSA-N 2 1 311.470 1.334 10 0 DDAEMP Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cc(=O)n2c1 ZINC000262552041 698474004 /nfs/dbraw/zinc/47/40/04/698474004.db2.gz SPKYXDZPGVSLQK-OAHLLOKOSA-N 2 1 300.406 1.577 10 0 DDAEMP Cc1ccc2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc(=O)n2c1 ZINC000262552041 698474006 /nfs/dbraw/zinc/47/40/06/698474006.db2.gz SPKYXDZPGVSLQK-OAHLLOKOSA-N 2 1 300.406 1.577 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@H]1C(C)C ZINC000888097823 709212584 /nfs/dbraw/zinc/21/25/84/709212584.db2.gz QAGRBXKKHKPNSA-TVFCKZIOSA-N 2 1 308.466 1.793 10 0 DDAEMP C[N@@H+](CCC[C@@H](CC[NH3+])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079295534 185163703 /nfs/dbraw/zinc/16/37/03/185163703.db2.gz UYYUFPHAJFCJLX-UONOGXRCSA-N 2 1 304.500 1.897 10 0 DDAEMP C[NH2+][C@H]1COC[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000090438624 185296698 /nfs/dbraw/zinc/29/66/98/185296698.db2.gz POVWDDCDECTUAU-BBRMVZONSA-N 2 1 309.841 1.696 10 0 DDAEMP CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092680027 185333372 /nfs/dbraw/zinc/33/33/72/185333372.db2.gz IOXGKVUHNGLWFC-KBPBESRZSA-N 2 1 305.488 1.120 10 0 DDAEMP Cc1oc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1C[NH3+] ZINC000092678617 185333377 /nfs/dbraw/zinc/33/33/77/185333377.db2.gz LHSQMMWBXLAUSL-LBPRGKRZSA-N 2 1 315.439 1.070 10 0 DDAEMP C[NH2+][C@H](C)CCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533519 192285392 /nfs/dbraw/zinc/28/53/92/192285392.db2.gz GUGZSZBFZXTUDO-SNVBAGLBSA-N 2 1 305.348 1.891 10 0 DDAEMP C[NH2+][C@H](C)CCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533519 192285394 /nfs/dbraw/zinc/28/53/94/192285394.db2.gz GUGZSZBFZXTUDO-SNVBAGLBSA-N 2 1 305.348 1.891 10 0 DDAEMP CC[N@H+](CC(=O)N1CCc2sccc2C1)CC(C)(C)C[NH3+] ZINC000093891161 193324165 /nfs/dbraw/zinc/32/41/65/193324165.db2.gz KBUJBCLEPYQIRD-UHFFFAOYSA-N 2 1 309.479 1.940 10 0 DDAEMP CC[N@@H+](CC(=O)N1CCc2sccc2C1)CC(C)(C)C[NH3+] ZINC000093891161 193324167 /nfs/dbraw/zinc/32/41/67/193324167.db2.gz KBUJBCLEPYQIRD-UHFFFAOYSA-N 2 1 309.479 1.940 10 0 DDAEMP [NH3+]CCN1CCC[N@H+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364410 193365597 /nfs/dbraw/zinc/36/55/97/193365597.db2.gz FTLZGJHCUYKCOR-OAHLLOKOSA-N 2 1 313.511 1.398 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000094645197 193389677 /nfs/dbraw/zinc/38/96/77/193389677.db2.gz YPAMVRURORDPRE-BZUAXINKSA-N 2 1 314.495 1.806 10 0 DDAEMP CCC[N@@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)CCN(C)C ZINC000041675190 183215456 /nfs/dbraw/zinc/21/54/56/183215456.db2.gz YRAXXNZLUGJPOK-MRXNPFEDSA-N 2 1 300.491 1.284 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000041675955 183215696 /nfs/dbraw/zinc/21/56/96/183215696.db2.gz MUGMBUJBAICLHV-UHFFFAOYSA-N 2 1 313.467 1.544 10 0 DDAEMP CC(C)[NH2+]CCCS(=O)(=O)NCCCC[N@@H+](C)C(C)C ZINC000041681897 183217231 /nfs/dbraw/zinc/21/72/31/183217231.db2.gz LVHIGIOENRVXJV-UHFFFAOYSA-N 2 1 307.504 1.414 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NC2CCCC2)CC1 ZINC000105862202 194149223 /nfs/dbraw/zinc/14/92/23/194149223.db2.gz SRAQDTRGDMEBQA-AWEZNQCLSA-N 2 1 311.470 1.070 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195337881 407453401 /nfs/dbraw/zinc/45/34/01/407453401.db2.gz KBHXKSICQHTYST-TWMKSMIVSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195337881 407453406 /nfs/dbraw/zinc/45/34/06/407453406.db2.gz KBHXKSICQHTYST-TWMKSMIVSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195337881 407453411 /nfs/dbraw/zinc/45/34/11/407453411.db2.gz KBHXKSICQHTYST-TWMKSMIVSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195337881 407453416 /nfs/dbraw/zinc/45/34/16/407453416.db2.gz KBHXKSICQHTYST-TWMKSMIVSA-N 2 1 323.481 1.427 10 0 DDAEMP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261713638 407590367 /nfs/dbraw/zinc/59/03/67/407590367.db2.gz MUHDRWCOHVQQLV-JOCBIADPSA-N 2 1 315.461 1.869 10 0 DDAEMP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261897999 407660190 /nfs/dbraw/zinc/66/01/90/407660190.db2.gz HIRITJWGSZBRNU-KZNAEPCWSA-N 3 1 309.498 1.855 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000152430632 407631458 /nfs/dbraw/zinc/63/14/58/407631458.db2.gz KNXPUBKNWQNANF-GVDBMIGSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000152430632 407631465 /nfs/dbraw/zinc/63/14/65/407631465.db2.gz KNXPUBKNWQNANF-GVDBMIGSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000152430632 407631471 /nfs/dbraw/zinc/63/14/71/407631471.db2.gz KNXPUBKNWQNANF-GVDBMIGSSA-N 2 1 322.497 1.985 10 0 DDAEMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261890245 407657064 /nfs/dbraw/zinc/65/70/64/407657064.db2.gz GJHDKTYXDKNIHT-BRWVUGGUSA-N 2 1 317.433 1.163 10 0 DDAEMP c1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261941002 407681503 /nfs/dbraw/zinc/68/15/03/407681503.db2.gz MUMRCVPWLOEZMA-RCCFBDPRSA-N 2 1 304.434 1.950 10 0 DDAEMP c1cc2c(c(CN[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905784 407663904 /nfs/dbraw/zinc/66/39/04/407663904.db2.gz IETXIHWDEGIWTP-RRFJBIMHSA-N 2 1 304.390 1.662 10 0 DDAEMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905784 407663911 /nfs/dbraw/zinc/66/39/11/407663911.db2.gz IETXIHWDEGIWTP-RRFJBIMHSA-N 2 1 304.390 1.662 10 0 DDAEMP CCSCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000119179758 408009065 /nfs/dbraw/zinc/00/90/65/408009065.db2.gz MJEPFMNVTYMTSF-MRXNPFEDSA-N 2 1 315.527 1.466 10 0 DDAEMP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@H+]1C1CC1 ZINC000246179097 408165575 /nfs/dbraw/zinc/16/55/75/408165575.db2.gz GWMRQRUCYSONFG-KNCOVGOOSA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179097 408165581 /nfs/dbraw/zinc/16/55/81/408165581.db2.gz GWMRQRUCYSONFG-KNCOVGOOSA-N 2 1 306.454 1.490 10 0 DDAEMP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C[NH+]1C1CC1 ZINC000246179097 408165583 /nfs/dbraw/zinc/16/55/83/408165583.db2.gz GWMRQRUCYSONFG-KNCOVGOOSA-N 2 1 306.454 1.490 10 0 DDAEMP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304501 408801827 /nfs/dbraw/zinc/80/18/27/408801827.db2.gz OEOAJGVKGQZULS-CQSZACIVSA-N 2 1 321.425 1.282 10 0 DDAEMP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178304501 408801831 /nfs/dbraw/zinc/80/18/31/408801831.db2.gz OEOAJGVKGQZULS-CQSZACIVSA-N 2 1 321.425 1.282 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000249747508 408762138 /nfs/dbraw/zinc/76/21/38/408762138.db2.gz OAAZYHBQECFYDP-HZPDHXFCSA-N 2 1 312.502 1.994 10 0 DDAEMP CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000261927271 163730621 /nfs/dbraw/zinc/73/06/21/163730621.db2.gz ZLEZEBUCOHHDAZ-AWEZNQCLSA-N 2 1 318.421 1.173 10 0 DDAEMP O[C@]1(C[NH2+]CC[C@@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634699017 422557766 /nfs/dbraw/zinc/55/77/66/422557766.db2.gz CYWUUDZIJWEQQF-ROUUACIJSA-N 2 1 304.434 1.782 10 0 DDAEMP O[C@]1(C[NH2+]CC[C@@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699017 422557771 /nfs/dbraw/zinc/55/77/71/422557771.db2.gz CYWUUDZIJWEQQF-ROUUACIJSA-N 2 1 304.434 1.782 10 0 DDAEMP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262044775 277386262 /nfs/dbraw/zinc/38/62/62/277386262.db2.gz YYHINDFHIFSCGU-RCCFBDPRSA-N 2 1 309.498 1.854 10 0 DDAEMP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(C)(C)O)C2)ccn1 ZINC000886097185 708697589 /nfs/dbraw/zinc/69/75/89/708697589.db2.gz ZPYJINJFRABZMO-INIZCTEOSA-N 2 1 307.438 1.757 10 0 DDAEMP C[N@@H+]1CCCC[C@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087867968 185233999 /nfs/dbraw/zinc/23/39/99/185233999.db2.gz NAJPMZAYKJFZJO-QMMMGPOBSA-N 2 1 315.219 1.421 10 0 DDAEMP C[N@H+]1CCCC[C@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087867968 185234000 /nfs/dbraw/zinc/23/40/00/185234000.db2.gz NAJPMZAYKJFZJO-QMMMGPOBSA-N 2 1 315.219 1.421 10 0 DDAEMP CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542601 185256066 /nfs/dbraw/zinc/25/60/66/185256066.db2.gz HRVSLGBDUURDDW-UHFFFAOYSA-N 2 1 317.455 1.255 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000248552983 539272093 /nfs/dbraw/zinc/27/20/93/539272093.db2.gz HFJMFFHVWVGOGH-CVEARBPZSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000248552983 539272094 /nfs/dbraw/zinc/27/20/94/539272094.db2.gz HFJMFFHVWVGOGH-CVEARBPZSA-N 2 1 323.456 1.644 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000248552983 539272096 /nfs/dbraw/zinc/27/20/96/539272096.db2.gz HFJMFFHVWVGOGH-CVEARBPZSA-N 2 1 323.456 1.644 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1CC[NH3+] ZINC000092678835 185333385 /nfs/dbraw/zinc/33/33/85/185333385.db2.gz QDBWVFHIRKXWDF-LBPRGKRZSA-N 2 1 307.467 1.818 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000092626697 185330128 /nfs/dbraw/zinc/33/01/28/185330128.db2.gz IMQLXXYJMWHYPU-CQSZACIVSA-N 2 1 311.451 1.250 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000041675963 183215190 /nfs/dbraw/zinc/21/51/90/183215190.db2.gz YARBWGGQRFLQHJ-UHFFFAOYSA-N 2 1 313.467 1.544 10 0 DDAEMP CCOC(=O)CCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862719 194150277 /nfs/dbraw/zinc/15/02/77/194150277.db2.gz AQUOSSOUKDHHMB-AWEZNQCLSA-N 2 1 300.443 1.354 10 0 DDAEMP Cc1cc2c(ncnc2N2CC[NH+](C[C@@H](C)C[NH3+])CC2)s1 ZINC000110779036 194358711 /nfs/dbraw/zinc/35/87/11/194358711.db2.gz OHKYEFGKSPHQOA-NSHDSACASA-N 2 1 305.451 1.717 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111146026 194395217 /nfs/dbraw/zinc/39/52/17/194395217.db2.gz QOBZZWGOCKSVPO-INIZCTEOSA-N 3 1 300.491 1.284 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCCN(C)C)C(N)=O ZINC000111146026 194395218 /nfs/dbraw/zinc/39/52/18/194395218.db2.gz QOBZZWGOCKSVPO-INIZCTEOSA-N 2 1 300.491 1.284 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCCN(C)C)C(N)=O ZINC000111146026 194395220 /nfs/dbraw/zinc/39/52/20/194395220.db2.gz QOBZZWGOCKSVPO-INIZCTEOSA-N 2 1 300.491 1.284 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638301545 422813596 /nfs/dbraw/zinc/81/35/96/422813596.db2.gz KWGTXAGBPDENKI-CYBMUJFWSA-N 2 1 313.405 1.186 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000054760905 407189147 /nfs/dbraw/zinc/18/91/47/407189147.db2.gz OFFIXERTCBJQFH-KRWDZBQOSA-N 2 1 318.465 1.902 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000054760905 407189148 /nfs/dbraw/zinc/18/91/48/407189148.db2.gz OFFIXERTCBJQFH-KRWDZBQOSA-N 2 1 318.465 1.902 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000054760905 407189149 /nfs/dbraw/zinc/18/91/49/407189149.db2.gz OFFIXERTCBJQFH-KRWDZBQOSA-N 2 1 318.465 1.902 10 0 DDAEMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261694094 407581449 /nfs/dbraw/zinc/58/14/49/407581449.db2.gz JFCFEPVHKRZFJV-OIISXLGYSA-N 2 1 303.450 1.821 10 0 DDAEMP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261694094 407581450 /nfs/dbraw/zinc/58/14/50/407581450.db2.gz JFCFEPVHKRZFJV-OIISXLGYSA-N 2 1 303.450 1.821 10 0 DDAEMP [NH3+]Cc1nc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)no1 ZINC000261815209 407626252 /nfs/dbraw/zinc/62/62/52/407626252.db2.gz XFVNALKQVNXJQS-LBPRGKRZSA-N 2 1 307.785 1.328 10 0 DDAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261878794 407653244 /nfs/dbraw/zinc/65/32/44/407653244.db2.gz FBQPOQFNIGANEH-BZUAXINKSA-N 2 1 303.406 1.032 10 0 DDAEMP Cc1cccc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH+]1 ZINC000262101487 407741343 /nfs/dbraw/zinc/74/13/43/407741343.db2.gz IUEZKXUZOFBZOE-HUUCEWRRSA-N 2 1 302.422 1.475 10 0 DDAEMP [NH3+]Cc1nc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)no1 ZINC000262122896 407743231 /nfs/dbraw/zinc/74/32/31/407743231.db2.gz CGMIHQRJKARNCF-AWEZNQCLSA-N 2 1 307.442 1.616 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247319681 408448561 /nfs/dbraw/zinc/44/85/61/408448561.db2.gz ONOKGSJLONIIFI-FMKPAKJESA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247319681 408448566 /nfs/dbraw/zinc/44/85/66/408448566.db2.gz ONOKGSJLONIIFI-FMKPAKJESA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247319681 408448570 /nfs/dbraw/zinc/44/85/70/408448570.db2.gz ONOKGSJLONIIFI-FMKPAKJESA-N 2 1 306.454 1.349 10 0 DDAEMP COc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc2c1OCO2 ZINC000275636807 408627473 /nfs/dbraw/zinc/62/74/73/408627473.db2.gz SSIGILGOJCXTCV-LBPRGKRZSA-N 2 1 315.373 1.973 10 0 DDAEMP CCC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[NH+](C)C ZINC000162048725 408665672 /nfs/dbraw/zinc/66/56/72/408665672.db2.gz IMORNOWGHNUSBY-IRXDYDNUSA-N 2 1 324.513 1.345 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000250303832 408777238 /nfs/dbraw/zinc/77/72/38/408777238.db2.gz ZMFNENOBVRFULF-JKSUJKDBSA-N 2 1 310.486 1.890 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382715513 418732317 /nfs/dbraw/zinc/73/23/17/418732317.db2.gz CHDDADWUVBPVIS-SOLBZPMBSA-N 2 1 315.461 1.965 10 0 DDAEMP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000649347139 423783919 /nfs/dbraw/zinc/78/39/19/423783919.db2.gz GUYSLFPKCFVPES-DOTOQJQBSA-N 2 1 319.449 1.249 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000156612348 523851846 /nfs/dbraw/zinc/85/18/46/523851846.db2.gz IZGSDWWCHQXSBA-HNNXBMFYSA-N 2 1 319.449 1.541 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000156612348 523851849 /nfs/dbraw/zinc/85/18/49/523851849.db2.gz IZGSDWWCHQXSBA-HNNXBMFYSA-N 2 1 319.449 1.541 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262030325 698451082 /nfs/dbraw/zinc/45/10/82/698451082.db2.gz XJWDGIRHMVSOOX-WCXIOVBPSA-N 2 1 308.397 1.606 10 0 DDAEMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ncoc1C[NH3+] ZINC000721423137 699313329 /nfs/dbraw/zinc/31/33/29/699313329.db2.gz BOKNWGQFWMNGTL-LBPRGKRZSA-N 2 1 302.378 1.384 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ncoc1C[NH3+] ZINC000721423137 699313333 /nfs/dbraw/zinc/31/33/33/699313333.db2.gz BOKNWGQFWMNGTL-LBPRGKRZSA-N 2 1 302.378 1.384 10 0 DDAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000859756565 704995599 /nfs/dbraw/zinc/99/55/99/704995599.db2.gz QPSJTMFQYYPURY-CVEARBPZSA-N 2 1 317.441 1.050 10 0 DDAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC000859756565 704995603 /nfs/dbraw/zinc/99/56/03/704995603.db2.gz QPSJTMFQYYPURY-CVEARBPZSA-N 2 1 317.441 1.050 10 0 DDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000079269526 185163156 /nfs/dbraw/zinc/16/31/56/185163156.db2.gz DAOGOHUVYZNTSD-CVEARBPZSA-N 2 1 312.502 1.994 10 0 DDAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000262329449 354392457 /nfs/dbraw/zinc/39/24/57/354392457.db2.gz XSFANCVCOQDEKI-BARDWOONSA-N 2 1 311.470 1.508 10 0 DDAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000262329449 354392460 /nfs/dbraw/zinc/39/24/60/354392460.db2.gz XSFANCVCOQDEKI-BARDWOONSA-N 2 1 311.470 1.508 10 0 DDAEMP C[N@H+]1CCCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC1 ZINC000094336635 193360922 /nfs/dbraw/zinc/36/09/22/193360922.db2.gz BYCWHXMYJPWEIF-UHFFFAOYSA-N 2 1 301.316 1.526 10 0 DDAEMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645193 193389863 /nfs/dbraw/zinc/38/98/63/193389863.db2.gz HBMJEAKLYQMTDO-CABCVRRESA-N 2 1 302.484 1.664 10 0 DDAEMP Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)[nH+]c1 ZINC000170830294 248321106 /nfs/dbraw/zinc/32/11/06/248321106.db2.gz LEBWTQMPEJHOPC-CQSZACIVSA-N 2 1 305.426 1.538 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000041681321 183215914 /nfs/dbraw/zinc/21/59/14/183215914.db2.gz YHFGLCJCRQMBIV-UHFFFAOYSA-N 2 1 319.515 1.416 10 0 DDAEMP CCC[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000120425953 195164300 /nfs/dbraw/zinc/16/43/00/195164300.db2.gz PGKCQWMGHPFPMH-OAHLLOKOSA-N 2 1 313.486 1.534 10 0 DDAEMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000261833060 407631460 /nfs/dbraw/zinc/63/14/60/407631460.db2.gz XWOFFNOSBXZKRI-ZBFHGGJFSA-N 2 1 312.417 1.344 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261841339 407638121 /nfs/dbraw/zinc/63/81/21/407638121.db2.gz AIWXPJRJRIIIIK-RCCFBDPRSA-N 2 1 303.450 1.870 10 0 DDAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000261861030 407644784 /nfs/dbraw/zinc/64/47/84/407644784.db2.gz CCFXFXRBXUYYNM-OAGGEKHMSA-N 2 1 320.433 1.951 10 0 DDAEMP C[N@H+](CCCO)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000115547821 407690153 /nfs/dbraw/zinc/69/01/53/407690153.db2.gz RPARKCFAOJUYOT-GOSISDBHSA-N 2 1 306.450 1.673 10 0 DDAEMP C[N@@H+](CCCO)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000115547821 407690158 /nfs/dbraw/zinc/69/01/58/407690158.db2.gz RPARKCFAOJUYOT-GOSISDBHSA-N 2 1 306.450 1.673 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000262007100 407708107 /nfs/dbraw/zinc/70/81/07/407708107.db2.gz VFHQRIDOPCCRRX-BBWFWOEESA-N 2 1 318.465 1.509 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000174534355 407961459 /nfs/dbraw/zinc/96/14/59/407961459.db2.gz AWOJCUNHUKAACV-WBVHZDCISA-N 2 1 301.434 1.816 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000174534355 407961465 /nfs/dbraw/zinc/96/14/65/407961465.db2.gz AWOJCUNHUKAACV-WBVHZDCISA-N 2 1 301.434 1.816 10 0 DDAEMP CCC[C@H](C(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1)[NH+](C)C ZINC000245778893 408067785 /nfs/dbraw/zinc/06/77/85/408067785.db2.gz LXNKFYRDRXEWQG-JKSUJKDBSA-N 2 1 313.486 1.676 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246467197 408263331 /nfs/dbraw/zinc/26/33/31/408263331.db2.gz ZKSKVXBKVAEVOC-WCVJEAGWSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246467179 408263702 /nfs/dbraw/zinc/26/37/02/408263702.db2.gz ZKSKVXBKVAEVOC-FPCVCCKLSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246467179 408263710 /nfs/dbraw/zinc/26/37/10/408263710.db2.gz ZKSKVXBKVAEVOC-FPCVCCKLSA-N 2 1 310.486 1.743 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000246467179 408263717 /nfs/dbraw/zinc/26/37/17/408263717.db2.gz ZKSKVXBKVAEVOC-FPCVCCKLSA-N 2 1 310.486 1.743 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000246315508 408215669 /nfs/dbraw/zinc/21/56/69/408215669.db2.gz MQENGGIQEUMDKH-YCPHGPKFSA-N 2 1 306.454 1.491 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C[NH+]1C1CC1 ZINC000246315508 408215672 /nfs/dbraw/zinc/21/56/72/408215672.db2.gz MQENGGIQEUMDKH-YCPHGPKFSA-N 2 1 306.454 1.491 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C[NH+]1C1CC1 ZINC000246315508 408215678 /nfs/dbraw/zinc/21/56/78/408215678.db2.gz MQENGGIQEUMDKH-YCPHGPKFSA-N 2 1 306.454 1.491 10 0 DDAEMP CC[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000155966068 408231670 /nfs/dbraw/zinc/23/16/70/408231670.db2.gz RQIKXOUGIYKVST-MRXNPFEDSA-N 2 1 311.470 1.335 10 0 DDAEMP C(CN1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000248344533 408550669 /nfs/dbraw/zinc/55/06/69/408550669.db2.gz LSHAJUKSYISRNF-QZTJIDSGSA-N 2 1 306.498 1.327 10 0 DDAEMP CCC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[NH+](C)C ZINC000162049077 408665094 /nfs/dbraw/zinc/66/50/94/408665094.db2.gz IMORNOWGHNUSBY-IAGOWNOFSA-N 2 1 324.513 1.345 10 0 DDAEMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900885 289355990 /nfs/dbraw/zinc/35/59/90/289355990.db2.gz WOAUNMNFXGJIFX-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000396321282 483994346 /nfs/dbraw/zinc/99/43/46/483994346.db2.gz JSJRTJVHQAHMMQ-OAHLLOKOSA-N 2 1 317.433 1.227 10 0 DDAEMP C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000396321282 483994352 /nfs/dbraw/zinc/99/43/52/483994352.db2.gz JSJRTJVHQAHMMQ-OAHLLOKOSA-N 2 1 317.433 1.227 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309724442 484378576 /nfs/dbraw/zinc/37/85/76/484378576.db2.gz NBGXUQSWVYYLHK-BPQIPLTHSA-N 2 1 315.461 1.870 10 0 DDAEMP C[C@H](C[NH+]1CCCC1)Nc1nc(NN)[nH+]cc1Br ZINC000087865397 185233889 /nfs/dbraw/zinc/23/38/89/185233889.db2.gz JAMGTTRZSPLJFF-MRVPVSSYSA-N 2 1 315.219 1.421 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246772879 354361913 /nfs/dbraw/zinc/36/19/13/354361913.db2.gz ROSCGAHCTDFEJK-HOTGVXAUSA-N 2 1 311.470 1.380 10 0 DDAEMP CC(C)[NH2+][C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145513 194396012 /nfs/dbraw/zinc/39/60/12/194396012.db2.gz IYRPJOFXRKZYQF-MRXNPFEDSA-N 2 1 301.475 1.882 10 0 DDAEMP CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CCOCC1)[NH2+]C ZINC000111170541 194398487 /nfs/dbraw/zinc/39/84/87/194398487.db2.gz DOEPGFAPFPEXDU-INIZCTEOSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC1CCOCC1)[NH2+]C ZINC000111170541 194398489 /nfs/dbraw/zinc/39/84/89/194398489.db2.gz DOEPGFAPFPEXDU-INIZCTEOSA-N 2 1 300.443 1.666 10 0 DDAEMP [NH3+]Cc1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)s1 ZINC000062943194 184261967 /nfs/dbraw/zinc/26/19/67/184261967.db2.gz AXRTXBCZFLQCQJ-LLVKDONJSA-N 2 1 315.464 1.066 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@H]12 ZINC000261639692 407564234 /nfs/dbraw/zinc/56/42/34/407564234.db2.gz IMWZWQWUTAPBHE-VHDGCEQUSA-N 2 1 307.825 1.625 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)cc3)C[C@H]12 ZINC000261639692 407564240 /nfs/dbraw/zinc/56/42/40/407564240.db2.gz IMWZWQWUTAPBHE-VHDGCEQUSA-N 2 1 307.825 1.625 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000067706762 407280587 /nfs/dbraw/zinc/28/05/87/407280587.db2.gz ZMFNENOBVRFULF-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111884080 407419267 /nfs/dbraw/zinc/41/92/67/407419267.db2.gz KNDKPGUABNETNQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000111884080 407419269 /nfs/dbraw/zinc/41/92/69/407419269.db2.gz KNDKPGUABNETNQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000111884080 407419270 /nfs/dbraw/zinc/41/92/70/407419270.db2.gz KNDKPGUABNETNQ-HZPDHXFCSA-N 2 1 308.470 1.741 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000170855565 407531508 /nfs/dbraw/zinc/53/15/08/407531508.db2.gz QEVDNJCWDTVNNH-DLBZAZTESA-N 2 1 301.434 1.814 10 0 DDAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797179 407618845 /nfs/dbraw/zinc/61/88/45/407618845.db2.gz IPSZVMWYPOYWFO-GOEBONIOSA-N 2 1 317.433 1.446 10 0 DDAEMP CC(C)N1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000261814968 407625499 /nfs/dbraw/zinc/62/54/99/407625499.db2.gz RWWBDBWWMAWKFX-IXDOHACOSA-N 2 1 301.434 1.670 10 0 DDAEMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000261814968 407625506 /nfs/dbraw/zinc/62/55/06/407625506.db2.gz RWWBDBWWMAWKFX-IXDOHACOSA-N 2 1 301.434 1.670 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261841329 407636914 /nfs/dbraw/zinc/63/69/14/407636914.db2.gz AIWXPJRJRIIIIK-KURKYZTESA-N 2 1 303.450 1.870 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262266599 407780207 /nfs/dbraw/zinc/78/02/07/407780207.db2.gz JXHQJMRGJQKLBC-RHSMWYFYSA-N 2 1 319.449 1.651 10 0 DDAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262490760 407847809 /nfs/dbraw/zinc/84/78/09/407847809.db2.gz KYHXEJSKARRPLL-DDUYRFODSA-N 2 1 305.397 1.672 10 0 DDAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262490760 407847815 /nfs/dbraw/zinc/84/78/15/407847815.db2.gz KYHXEJSKARRPLL-DDUYRFODSA-N 2 1 305.397 1.672 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000263197033 408054214 /nfs/dbraw/zinc/05/42/14/408054214.db2.gz INIDLDKXXXOUGO-SMDDNHRTSA-N 2 1 306.797 1.400 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000263192662 408054372 /nfs/dbraw/zinc/05/43/72/408054372.db2.gz ICLCVFDAQXGOJC-ONGXEEELSA-N 2 1 306.740 1.611 10 0 DDAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246343216 408227493 /nfs/dbraw/zinc/22/74/93/408227493.db2.gz HFRJRPPCQGIHEQ-IRXDYDNUSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246343216 408227499 /nfs/dbraw/zinc/22/74/99/408227499.db2.gz HFRJRPPCQGIHEQ-IRXDYDNUSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246343216 408227502 /nfs/dbraw/zinc/22/75/02/408227502.db2.gz HFRJRPPCQGIHEQ-IRXDYDNUSA-N 2 1 322.497 1.844 10 0 DDAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247181791 408423823 /nfs/dbraw/zinc/42/38/23/408423823.db2.gz RTZSRKGTHCREIE-CABCVRRESA-N 2 1 314.474 1.079 10 0 DDAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000247181791 408423825 /nfs/dbraw/zinc/42/38/25/408423825.db2.gz RTZSRKGTHCREIE-CABCVRRESA-N 2 1 314.474 1.079 10 0 DDAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247595564 408495908 /nfs/dbraw/zinc/49/59/08/408495908.db2.gz SFTGEAVALVHGEJ-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247595564 408495913 /nfs/dbraw/zinc/49/59/13/408495913.db2.gz SFTGEAVALVHGEJ-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247595564 408495918 /nfs/dbraw/zinc/49/59/18/408495918.db2.gz SFTGEAVALVHGEJ-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000247439039 408470807 /nfs/dbraw/zinc/47/08/07/408470807.db2.gz RWNGSMQFAMEFGI-BZUAXINKSA-N 2 1 310.486 1.746 10 0 DDAEMP C[C@H](c1nnnn1C1CC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248816013 408638412 /nfs/dbraw/zinc/63/84/12/408638412.db2.gz DPMUPKYEQPSKPV-QWHCGFSZSA-N 2 1 322.457 1.094 10 0 DDAEMP C[C@H](c1nnnn1C1CC1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248816013 408638415 /nfs/dbraw/zinc/63/84/15/408638415.db2.gz DPMUPKYEQPSKPV-QWHCGFSZSA-N 2 1 322.457 1.094 10 0 DDAEMP O=C(NC[C@H]1CCCN(c2cc[nH+]cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000262044257 163755844 /nfs/dbraw/zinc/75/58/44/163755844.db2.gz CDLXKZAHMUNUNA-TZMCWYRMSA-N 2 1 322.840 1.820 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)COC(C)(C)C)CC1 ZINC000247054243 278395455 /nfs/dbraw/zinc/39/54/55/278395455.db2.gz FMPSGYVTZGXCFB-GDBMZVCRSA-N 2 1 316.486 1.187 10 0 DDAEMP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108682 699325038 /nfs/dbraw/zinc/32/50/38/699325038.db2.gz IQUWTFAHOFYGES-VHSXEESVSA-N 2 1 304.303 1.819 10 0 DDAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108682 699325041 /nfs/dbraw/zinc/32/50/41/699325041.db2.gz IQUWTFAHOFYGES-VHSXEESVSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108682 699325044 /nfs/dbraw/zinc/32/50/44/699325044.db2.gz IQUWTFAHOFYGES-VHSXEESVSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724108682 699325046 /nfs/dbraw/zinc/32/50/46/699325046.db2.gz IQUWTFAHOFYGES-VHSXEESVSA-N 2 1 304.303 1.819 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@@H]1C(C)C ZINC000888097161 709212631 /nfs/dbraw/zinc/21/26/31/709212631.db2.gz CQAQUUQKQVVAQC-SIXLDLHFSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@@H]1C(C)C ZINC000888097161 709212632 /nfs/dbraw/zinc/21/26/32/709212632.db2.gz CQAQUUQKQVVAQC-SIXLDLHFSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3n[nH]cc3C)C2)[C@@H]1C(C)C ZINC000888097161 709212635 /nfs/dbraw/zinc/21/26/35/709212635.db2.gz CQAQUUQKQVVAQC-SIXLDLHFSA-N 2 1 306.454 1.678 10 0 DDAEMP CC[N@@H+]1CCC[C@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087905158 185237264 /nfs/dbraw/zinc/23/72/64/185237264.db2.gz YDRLMUXSOFKMRX-QMMMGPOBSA-N 2 1 315.219 1.421 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087905158 185237265 /nfs/dbraw/zinc/23/72/65/185237265.db2.gz YDRLMUXSOFKMRX-QMMMGPOBSA-N 2 1 315.219 1.421 10 0 DDAEMP CCC[NH2+][C@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435444 185250526 /nfs/dbraw/zinc/25/05/26/185250526.db2.gz DOWKPBZCVNCMMD-CYBMUJFWSA-N 2 1 309.376 1.894 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1csc(C[NH3+])c1 ZINC000092680018 185333599 /nfs/dbraw/zinc/33/35/99/185333599.db2.gz YZJCNUAOZFGPFE-NSHDSACASA-N 2 1 317.480 1.312 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000092680034 185333639 /nfs/dbraw/zinc/33/36/39/185333639.db2.gz LTJKARPLSHBTTM-LLVKDONJSA-N 2 1 317.480 1.312 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000092922740 353876592 /nfs/dbraw/zinc/87/65/92/353876592.db2.gz IBBJIWKBMMJSKC-CABCVRRESA-N 2 1 312.421 1.891 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000092922740 353876594 /nfs/dbraw/zinc/87/65/94/353876594.db2.gz IBBJIWKBMMJSKC-CABCVRRESA-N 2 1 312.421 1.891 10 0 DDAEMP C[C@@H](CC[NH3+])CCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525644 192283179 /nfs/dbraw/zinc/28/31/79/192283179.db2.gz KUZSDRTXSQCRES-SNVBAGLBSA-N 2 1 305.348 1.878 10 0 DDAEMP C[C@@H](CC[NH3+])CCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525644 192283181 /nfs/dbraw/zinc/28/31/81/192283181.db2.gz KUZSDRTXSQCRES-SNVBAGLBSA-N 2 1 305.348 1.878 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000081525724 192283302 /nfs/dbraw/zinc/28/33/02/192283302.db2.gz YHBXPKXKDZXLNU-SNVBAGLBSA-N 2 1 303.332 1.502 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000081525724 192283303 /nfs/dbraw/zinc/28/33/03/192283303.db2.gz YHBXPKXKDZXLNU-SNVBAGLBSA-N 2 1 303.332 1.502 10 0 DDAEMP CC[NH2+][C@@]1(CO)CCC[C@H]([N@@H+](CCCOC)CCOC)C1 ZINC000093783168 193307816 /nfs/dbraw/zinc/30/78/16/193307816.db2.gz HYOMQLGUQQIIGD-HOTGVXAUSA-N 2 1 302.459 1.255 10 0 DDAEMP COC(=O)[C@@](C)(CCCC[N@H+](C)CCN(C)C)[NH2+]C(C)C ZINC000111144818 194395095 /nfs/dbraw/zinc/39/50/95/194395095.db2.gz AYJBDAWTNKEEIW-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP COC(=O)[C@@](C)(CCCC[N@@H+](C)CCN(C)C)[NH2+]C(C)C ZINC000111144818 194395098 /nfs/dbraw/zinc/39/50/98/194395098.db2.gz AYJBDAWTNKEEIW-MRXNPFEDSA-N 2 1 301.475 1.580 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1CC ZINC000246258780 286085967 /nfs/dbraw/zinc/08/59/67/286085967.db2.gz KTXQGFSGZGEKFD-OAGGEKHMSA-N 2 1 311.470 1.463 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830018 407522052 /nfs/dbraw/zinc/52/20/52/407522052.db2.gz RDQDWKRZQOAKBR-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000261908873 407667075 /nfs/dbraw/zinc/66/70/75/407667075.db2.gz IQZGXZKPDLLVJN-KFWWJZLASA-N 2 1 314.495 1.645 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[N@H+]1C1CC1 ZINC000130650031 407702330 /nfs/dbraw/zinc/70/23/30/407702330.db2.gz MQENGGIQEUMDKH-IJEWVQPXSA-N 2 1 306.454 1.491 10 0 DDAEMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262363616 407812333 /nfs/dbraw/zinc/81/23/33/407812333.db2.gz VKANWWDVFATMBA-SRABZTEZSA-N 2 1 317.433 1.315 10 0 DDAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262363616 407812343 /nfs/dbraw/zinc/81/23/43/407812343.db2.gz VKANWWDVFATMBA-SRABZTEZSA-N 2 1 317.433 1.315 10 0 DDAEMP C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000262449791 407836319 /nfs/dbraw/zinc/83/63/19/407836319.db2.gz HQOIZJMSDZZEMN-AWEZNQCLSA-N 2 1 320.824 1.922 10 0 DDAEMP C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000262449791 407836326 /nfs/dbraw/zinc/83/63/26/407836326.db2.gz HQOIZJMSDZZEMN-AWEZNQCLSA-N 2 1 320.824 1.922 10 0 DDAEMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263253713 408076188 /nfs/dbraw/zinc/07/61/88/408076188.db2.gz QGTCZFAJAKJGRL-BLLLJJGKSA-N 2 1 320.824 1.504 10 0 DDAEMP CC[N@@H+](CC(=O)[O-])C1CC([NH2+]CCCc2cnccc2C)C1 ZINC000263523390 408161130 /nfs/dbraw/zinc/16/11/30/408161130.db2.gz SBRJLBLYSMTFBE-UHFFFAOYSA-N 2 1 305.422 1.850 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000182752528 408239019 /nfs/dbraw/zinc/23/90/19/408239019.db2.gz INAHEUWDTOBBLS-OAHLLOKOSA-N 2 1 306.450 1.704 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000122093533 408249583 /nfs/dbraw/zinc/24/95/83/408249583.db2.gz QDVQUQTZFHJISY-INIZCTEOSA-N 2 1 304.438 1.914 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000246750595 408332903 /nfs/dbraw/zinc/33/29/03/408332903.db2.gz BIRROFIHMCJUPO-RBSFLKMASA-N 2 1 322.453 1.910 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000246750595 408332907 /nfs/dbraw/zinc/33/29/07/408332907.db2.gz BIRROFIHMCJUPO-RBSFLKMASA-N 2 1 322.453 1.910 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000248906727 408657807 /nfs/dbraw/zinc/65/78/07/408657807.db2.gz MBFUZMABOMYCPV-CRAIPNDOSA-N 2 1 312.498 1.952 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000194944082 408806734 /nfs/dbraw/zinc/80/67/34/408806734.db2.gz BUJUAFNDQJTJEP-MRXNPFEDSA-N 2 1 310.486 1.892 10 0 DDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000291181840 222202951 /nfs/dbraw/zinc/20/29/51/222202951.db2.gz OGOWIWKOBZNRLW-NEWSRXKRSA-N 2 1 317.477 1.960 10 0 DDAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000291181840 222202954 /nfs/dbraw/zinc/20/29/54/222202954.db2.gz OGOWIWKOBZNRLW-NEWSRXKRSA-N 2 1 317.477 1.960 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382699527 418732323 /nfs/dbraw/zinc/73/23/23/418732323.db2.gz LUCDOOMMHOWMAE-CRAIPNDOSA-N 2 1 301.434 1.861 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000382699527 418732325 /nfs/dbraw/zinc/73/23/25/418732325.db2.gz LUCDOOMMHOWMAE-CRAIPNDOSA-N 2 1 301.434 1.861 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246855389 288305662 /nfs/dbraw/zinc/30/56/62/288305662.db2.gz DIECJDIZAONFQZ-FCGDIQPGSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246855389 288305663 /nfs/dbraw/zinc/30/56/63/288305663.db2.gz DIECJDIZAONFQZ-FCGDIQPGSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246855389 288305666 /nfs/dbraw/zinc/30/56/66/288305666.db2.gz DIECJDIZAONFQZ-FCGDIQPGSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333860832 289045931 /nfs/dbraw/zinc/04/59/31/289045931.db2.gz RZWOIXVPAHJSSP-KLHDSHLOSA-N 2 1 324.469 1.009 10 0 DDAEMP C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400332065 302368676 /nfs/dbraw/zinc/36/86/76/302368676.db2.gz FCXBFXGFOWGKEY-HKUYNNGSSA-N 2 1 316.493 1.392 10 0 DDAEMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479300 302370051 /nfs/dbraw/zinc/37/00/51/302370051.db2.gz VUFDNEPJEVQYGD-YTQUADARSA-N 2 1 317.477 1.865 10 0 DDAEMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479300 302370054 /nfs/dbraw/zinc/37/00/54/302370054.db2.gz VUFDNEPJEVQYGD-YTQUADARSA-N 2 1 317.477 1.865 10 0 DDAEMP c1ccc(CN2CCN(CC[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000390526381 307293875 /nfs/dbraw/zinc/29/38/75/307293875.db2.gz COHHMRZVABSEMU-LJQANCHMSA-N 2 1 316.493 1.536 10 0 DDAEMP CC(C)(C)[C@@H](CC[NH3+])CCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000079296863 185163911 /nfs/dbraw/zinc/16/39/11/185163911.db2.gz VTMYSGOFSMFTLA-CQSZACIVSA-N 2 1 319.515 1.355 10 0 DDAEMP CCc1nn(C)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180094330 539235403 /nfs/dbraw/zinc/23/54/03/539235403.db2.gz RIMUTIOWNMJNLU-CQSZACIVSA-N 2 1 308.470 1.507 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000081525728 192283919 /nfs/dbraw/zinc/28/39/19/192283919.db2.gz YHBXPKXKDZXLNU-JTQLQIEISA-N 2 1 303.332 1.502 10 0 DDAEMP FC(F)(F)c1nnc2n1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000081525728 192283922 /nfs/dbraw/zinc/28/39/22/192283922.db2.gz YHBXPKXKDZXLNU-JTQLQIEISA-N 2 1 303.332 1.502 10 0 DDAEMP CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091720349 193097107 /nfs/dbraw/zinc/09/71/07/193097107.db2.gz HSPXHFDIGPOOIY-SUNKGSAMSA-N 2 1 312.845 1.369 10 0 DDAEMP CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000091720349 193097108 /nfs/dbraw/zinc/09/71/08/193097108.db2.gz HSPXHFDIGPOOIY-SUNKGSAMSA-N 2 1 312.845 1.369 10 0 DDAEMP C[N@H+]1CC[C@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000093387479 193241655 /nfs/dbraw/zinc/24/16/55/193241655.db2.gz MIBUVTSRJATERV-ZDUSSCGKSA-N 2 1 309.211 1.868 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCCOC ZINC000093593567 193270727 /nfs/dbraw/zinc/27/07/27/193270727.db2.gz XPUREGUUSVMGGM-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)CCCOC ZINC000093593567 193270729 /nfs/dbraw/zinc/27/07/29/193270729.db2.gz XPUREGUUSVMGGM-GDBMZVCRSA-N 2 1 300.443 1.666 10 0 DDAEMP CC1(C)CCSC[C@H]1[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000094484835 193373052 /nfs/dbraw/zinc/37/30/52/193373052.db2.gz YYFURPOZCOOBDA-ZIAGYGMSSA-N 2 1 311.495 1.414 10 0 DDAEMP C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000040716247 183122435 /nfs/dbraw/zinc/12/24/35/183122435.db2.gz MYBAIZOGUXLQNP-OCCSQVGLSA-N 2 1 311.451 1.340 10 0 DDAEMP C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000040716247 183122438 /nfs/dbraw/zinc/12/24/38/183122438.db2.gz MYBAIZOGUXLQNP-OCCSQVGLSA-N 2 1 311.451 1.340 10 0 DDAEMP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040716282 183122840 /nfs/dbraw/zinc/12/28/40/183122840.db2.gz IYRRWAWXBCEXGA-CQSZACIVSA-N 2 1 311.451 1.169 10 0 DDAEMP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040716282 183122842 /nfs/dbraw/zinc/12/28/42/183122842.db2.gz IYRRWAWXBCEXGA-CQSZACIVSA-N 2 1 311.451 1.169 10 0 DDAEMP C[C@@H](C(=O)Nc1nc2c(s1)C[NH2+]CC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000043559813 183371293 /nfs/dbraw/zinc/37/12/93/183371293.db2.gz YMYOCFWPWBUJLM-MXWKQRLJSA-N 2 1 308.451 1.989 10 0 DDAEMP CC[NH2+][C@](C)(CCC[N@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169467 194397351 /nfs/dbraw/zinc/39/73/51/194397351.db2.gz OBUUWUUBZJTVHP-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@](C)(CCC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)OC ZINC000111169467 194397353 /nfs/dbraw/zinc/39/73/53/194397353.db2.gz OBUUWUUBZJTVHP-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP c1coc(C[N@@H+]2CC[C@H]3C[NH+](C4CCOCC4)CCO[C@H]3C2)c1 ZINC000247897884 257114799 /nfs/dbraw/zinc/11/47/99/257114799.db2.gz HSTOIEOXROIXEO-YJBOKZPZSA-N 2 1 320.433 1.981 10 0 DDAEMP c1coc(C[N@H+]2CC[C@H]3C[NH+](C4CCOCC4)CCO[C@H]3C2)c1 ZINC000247897884 257114800 /nfs/dbraw/zinc/11/48/00/257114800.db2.gz HSTOIEOXROIXEO-YJBOKZPZSA-N 2 1 320.433 1.981 10 0 DDAEMP c1coc(C[NH+]2CC[C@H]3C[N@@H+](C4CCOCC4)CCO[C@H]3C2)c1 ZINC000247897884 257114801 /nfs/dbraw/zinc/11/48/01/257114801.db2.gz HSTOIEOXROIXEO-YJBOKZPZSA-N 2 1 320.433 1.981 10 0 DDAEMP c1coc(C[NH+]2CC[C@H]3C[N@H+](C4CCOCC4)CCO[C@H]3C2)c1 ZINC000247897884 257114802 /nfs/dbraw/zinc/11/48/02/257114802.db2.gz HSTOIEOXROIXEO-YJBOKZPZSA-N 2 1 320.433 1.981 10 0 DDAEMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000114503771 407587961 /nfs/dbraw/zinc/58/79/61/407587961.db2.gz OHKOTDIRMCXVBM-GOSISDBHSA-N 2 1 306.450 1.980 10 0 DDAEMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000114503771 407587968 /nfs/dbraw/zinc/58/79/68/407587968.db2.gz OHKOTDIRMCXVBM-GOSISDBHSA-N 2 1 306.450 1.980 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261545211 407541137 /nfs/dbraw/zinc/54/11/37/407541137.db2.gz JQOZYZHRCOVQHG-BBWFWOEESA-N 2 1 301.434 1.704 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261545211 407541141 /nfs/dbraw/zinc/54/11/41/407541141.db2.gz JQOZYZHRCOVQHG-BBWFWOEESA-N 2 1 301.434 1.704 10 0 DDAEMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)O2 ZINC000261892794 407655717 /nfs/dbraw/zinc/65/57/17/407655717.db2.gz GRDPTHLFOCAQPO-VQHPVUNQSA-N 2 1 302.418 1.737 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000262007117 407708472 /nfs/dbraw/zinc/70/84/72/407708472.db2.gz VFHQRIDOPCCRRX-ZACQAIPSSA-N 2 1 318.465 1.509 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000171589312 407711566 /nfs/dbraw/zinc/71/15/66/407711566.db2.gz TWNPAHSUDPYBLI-APWZRJJASA-N 2 1 320.477 1.919 10 0 DDAEMP COCCN(C)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000262052668 407726034 /nfs/dbraw/zinc/72/60/34/407726034.db2.gz ZTQCZONOAGYVTH-INIZCTEOSA-N 2 1 306.454 1.738 10 0 DDAEMP COCCN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000262052668 407726041 /nfs/dbraw/zinc/72/60/41/407726041.db2.gz ZTQCZONOAGYVTH-INIZCTEOSA-N 2 1 306.454 1.738 10 0 DDAEMP [NH3+]Cc1nc(CN2CCC[N@H+](CC3CCCCC3)CC2)no1 ZINC000262126430 407746964 /nfs/dbraw/zinc/74/69/64/407746964.db2.gz CPCBOLUMAUNMNR-UHFFFAOYSA-N 2 1 307.442 1.616 10 0 DDAEMP [NH3+]Cc1nc(CN2CCC[N@@H+](CC3CCCCC3)CC2)no1 ZINC000262126430 407746972 /nfs/dbraw/zinc/74/69/72/407746972.db2.gz CPCBOLUMAUNMNR-UHFFFAOYSA-N 2 1 307.442 1.616 10 0 DDAEMP CC[C@H]1CN(C(=O)NCC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000117468582 407838075 /nfs/dbraw/zinc/83/80/75/407838075.db2.gz JIUAHLIYTHDUJM-HNNXBMFYSA-N 2 1 314.474 1.080 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000262729034 407910732 /nfs/dbraw/zinc/91/07/32/407910732.db2.gz BGTXMWRJMGORIJ-HLLBOEOZSA-N 2 1 311.470 1.463 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000263192584 408053483 /nfs/dbraw/zinc/05/34/83/408053483.db2.gz IBMVEIXCNHTGLB-BXKDBHETSA-N 2 1 319.630 1.772 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000263304785 408098689 /nfs/dbraw/zinc/09/86/89/408098689.db2.gz XPUWNRDMUFOSQD-MJGOQNOKSA-N 2 1 312.413 1.936 10 0 DDAEMP Cc1nn(C)c(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171589379 162228400 /nfs/dbraw/zinc/22/84/00/162228400.db2.gz GQLNENZJEBVUQZ-ZDUSSCGKSA-N 2 1 308.470 1.562 10 0 DDAEMP CO[C@@H](C)c1noc(CN2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000246941428 408374198 /nfs/dbraw/zinc/37/41/98/408374198.db2.gz HOWDCESLMNETCS-WCQYABFASA-N 2 1 305.382 1.947 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000247319696 408448894 /nfs/dbraw/zinc/44/88/94/408448894.db2.gz ONOKGSJLONIIFI-YCPHGPKFSA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000247319696 408448896 /nfs/dbraw/zinc/44/88/96/408448896.db2.gz ONOKGSJLONIIFI-YCPHGPKFSA-N 2 1 306.454 1.349 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000247319696 408448899 /nfs/dbraw/zinc/44/88/99/408448899.db2.gz ONOKGSJLONIIFI-YCPHGPKFSA-N 2 1 306.454 1.349 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)[nH+]1 ZINC000247579726 408495796 /nfs/dbraw/zinc/49/57/96/408495796.db2.gz IHCXPXCPJCEJFN-HZPDHXFCSA-N 2 1 315.421 1.381 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C2)[nH+]1 ZINC000247579726 408495799 /nfs/dbraw/zinc/49/57/99/408495799.db2.gz IHCXPXCPJCEJFN-HZPDHXFCSA-N 2 1 315.421 1.381 10 0 DDAEMP CCC[C@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[NH+](C)C ZINC000162382245 408696615 /nfs/dbraw/zinc/69/66/15/408696615.db2.gz DBOQXARAGIHEDD-OAHLLOKOSA-N 2 1 320.437 1.856 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000194161171 408767665 /nfs/dbraw/zinc/76/76/65/408767665.db2.gz KHIVWJMLUXKDMR-HZPDHXFCSA-N 2 1 310.486 1.892 10 0 DDAEMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380949463 418727803 /nfs/dbraw/zinc/72/78/03/418727803.db2.gz QLAZQLBRGRUJLX-DLBZAZTESA-N 2 1 303.450 1.998 10 0 DDAEMP CCC[C@H](C(=O)OCC)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246685542 276039378 /nfs/dbraw/zinc/03/93/78/276039378.db2.gz HWFRTYISJNFZPZ-GOEBONIOSA-N 2 1 314.470 1.743 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192639860 281188523 /nfs/dbraw/zinc/18/85/23/281188523.db2.gz OVTVOBZHFAJYGJ-DOTOQJQBSA-N 2 1 305.466 1.946 10 0 DDAEMP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000398073094 337304148 /nfs/dbraw/zinc/30/41/48/337304148.db2.gz PSLSKJMIOKCJRU-UWWQBHOKSA-N 2 1 301.434 1.908 10 0 DDAEMP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000088868362 185267534 /nfs/dbraw/zinc/26/75/34/185267534.db2.gz YOGAJRWXDNAMJM-CYBMUJFWSA-N 2 1 308.451 1.156 10 0 DDAEMP CCC(CC)[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000173499296 282221724 /nfs/dbraw/zinc/22/17/24/282221724.db2.gz ANCYIPOENSRDLK-HOTGVXAUSA-N 2 1 311.470 1.286 10 0 DDAEMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000172629385 198128559 /nfs/dbraw/zinc/12/85/59/198128559.db2.gz YFXXXDBIOZDROR-MSOLQXFVSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172629385 198128561 /nfs/dbraw/zinc/12/85/61/198128561.db2.gz YFXXXDBIOZDROR-MSOLQXFVSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172629385 198128563 /nfs/dbraw/zinc/12/85/63/198128563.db2.gz YFXXXDBIOZDROR-MSOLQXFVSA-N 2 1 306.450 1.838 10 0 DDAEMP CCN1CCO[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000303219403 354460949 /nfs/dbraw/zinc/46/09/49/354460949.db2.gz HCVPIPMVRWPTCW-LJQANCHMSA-N 2 1 317.477 1.961 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593571 193271320 /nfs/dbraw/zinc/27/13/20/193271320.db2.gz XPUREGUUSVMGGM-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)CCCOC ZINC000093593571 193271321 /nfs/dbraw/zinc/27/13/21/193271321.db2.gz XPUREGUUSVMGGM-GOEBONIOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CC[C@H]([N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831876 193314729 /nfs/dbraw/zinc/31/47/29/193314729.db2.gz UCXPIKYYRHZDOW-GMXVVIOVSA-N 2 1 307.360 1.647 10 0 DDAEMP CC[NH2+][C@]1(C(N)=O)CC[C@H]([N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000093831876 193314730 /nfs/dbraw/zinc/31/47/30/193314730.db2.gz UCXPIKYYRHZDOW-GMXVVIOVSA-N 2 1 307.360 1.647 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245422629 285235317 /nfs/dbraw/zinc/23/53/17/285235317.db2.gz PXEMMKQYAYEJJN-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245422629 285235319 /nfs/dbraw/zinc/23/53/19/285235319.db2.gz PXEMMKQYAYEJJN-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000245422629 285235320 /nfs/dbraw/zinc/23/53/20/285235320.db2.gz PXEMMKQYAYEJJN-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000171048333 407581114 /nfs/dbraw/zinc/58/11/14/407581114.db2.gz NZBDJDIAJJJISX-OAHLLOKOSA-N 2 1 310.486 1.987 10 0 DDAEMP Cc1csc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)n12 ZINC000261700335 407584392 /nfs/dbraw/zinc/58/43/92/407584392.db2.gz ODUGWSNXBBFCTD-UHTWSYAYSA-N 2 1 304.419 1.234 10 0 DDAEMP Cc1csc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)n12 ZINC000261700335 407584399 /nfs/dbraw/zinc/58/43/99/407584399.db2.gz ODUGWSNXBBFCTD-UHTWSYAYSA-N 2 1 304.419 1.234 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113609073 407519486 /nfs/dbraw/zinc/51/94/86/407519486.db2.gz VGZOQQJXEBDGDD-DOTOQJQBSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000178687750 407547925 /nfs/dbraw/zinc/54/79/25/407547925.db2.gz VHQATCPUEJVASK-UYSNPLJNSA-N 2 1 310.486 1.890 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000152428833 407634383 /nfs/dbraw/zinc/63/43/83/407634383.db2.gz OAYUZOIBAPWAOS-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152428833 407634389 /nfs/dbraw/zinc/63/43/89/407634389.db2.gz OAYUZOIBAPWAOS-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000152428833 407634392 /nfs/dbraw/zinc/63/43/92/407634392.db2.gz OAYUZOIBAPWAOS-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722129 407593289 /nfs/dbraw/zinc/59/32/89/407593289.db2.gz GAFUVXKFAFCRCH-YOEHRIQHSA-N 2 1 321.469 1.699 10 0 DDAEMP CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722129 407593294 /nfs/dbraw/zinc/59/32/94/407593294.db2.gz GAFUVXKFAFCRCH-YOEHRIQHSA-N 2 1 321.469 1.699 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117477560 407838925 /nfs/dbraw/zinc/83/89/25/407838925.db2.gz RTZSRKGTHCREIE-LSDHHAIUSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117477560 407838932 /nfs/dbraw/zinc/83/89/32/407838932.db2.gz RTZSRKGTHCREIE-LSDHHAIUSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000174236302 407924406 /nfs/dbraw/zinc/92/44/06/407924406.db2.gz QZZHBGKDGZZNFD-BZUAXINKSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000174236302 407924413 /nfs/dbraw/zinc/92/44/13/407924413.db2.gz QZZHBGKDGZZNFD-BZUAXINKSA-N 2 1 308.470 1.739 10 0 DDAEMP CN(CC[N@@H+](C)C[C@@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000119312143 408038475 /nfs/dbraw/zinc/03/84/75/408038475.db2.gz KWILAZNAHXSLTD-LJQANCHMSA-N 2 1 319.493 1.852 10 0 DDAEMP C[C@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246187026 408169262 /nfs/dbraw/zinc/16/92/62/408169262.db2.gz HZJDORJPVYWSDN-GJZGRUSLSA-N 2 1 310.486 1.842 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000246189556 408169574 /nfs/dbraw/zinc/16/95/74/408169574.db2.gz MJVDRGQTFIYOQC-XHSDSOJGSA-N 2 1 310.486 1.985 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000246408416 408247611 /nfs/dbraw/zinc/24/76/11/408247611.db2.gz RXTMQJRIHDGBFV-ZBFHGGJFSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](CC)C1CC1 ZINC000246408416 408247617 /nfs/dbraw/zinc/24/76/17/408247617.db2.gz RXTMQJRIHDGBFV-ZBFHGGJFSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000246408416 408247623 /nfs/dbraw/zinc/24/76/23/408247623.db2.gz RXTMQJRIHDGBFV-ZBFHGGJFSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)(CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000171897924 162246426 /nfs/dbraw/zinc/24/64/26/162246426.db2.gz QUHGOGSCXNXZSH-OAHLLOKOSA-N 2 1 308.470 1.741 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171907359 162247820 /nfs/dbraw/zinc/24/78/20/162247820.db2.gz HMDAQJNJKMULJX-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171907359 162247822 /nfs/dbraw/zinc/24/78/22/162247822.db2.gz HMDAQJNJKMULJX-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171907359 162247823 /nfs/dbraw/zinc/24/78/23/162247823.db2.gz HMDAQJNJKMULJX-HZPDHXFCSA-N 2 1 308.470 1.596 10 0 DDAEMP C(CCN1CC[NH+]2CCC[C@@H]2C1)CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000172656169 162291950 /nfs/dbraw/zinc/29/19/50/162291950.db2.gz GFIRWNPSCHNMCG-KDURUIRLSA-N 2 1 320.525 1.717 10 0 DDAEMP C(CCN1CC[N@@H+]2CCC[C@@H]2C1)CCN1CC[NH+]2CCC[C@H]2C1 ZINC000172656169 162291951 /nfs/dbraw/zinc/29/19/51/162291951.db2.gz GFIRWNPSCHNMCG-KDURUIRLSA-N 2 1 320.525 1.717 10 0 DDAEMP C(CCN1CC[N@H+]2CCC[C@@H]2C1)CCN1CC[NH+]2CCC[C@H]2C1 ZINC000172656169 162291952 /nfs/dbraw/zinc/29/19/52/162291952.db2.gz GFIRWNPSCHNMCG-KDURUIRLSA-N 2 1 320.525 1.717 10 0 DDAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247555436 408491410 /nfs/dbraw/zinc/49/14/10/408491410.db2.gz QQQPQLLHQWAGPY-ZACQAIPSSA-N 2 1 322.497 1.844 10 0 DDAEMP CCc1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261885306 163721521 /nfs/dbraw/zinc/72/15/21/163721521.db2.gz FTHIZJHULUOLCO-ZNMIVQPWSA-N 2 1 309.479 1.995 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000263251850 163937712 /nfs/dbraw/zinc/93/77/12/163937712.db2.gz QAQNDDRTLWUOPS-ZANVPECISA-N 2 1 308.332 1.025 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837239 423150717 /nfs/dbraw/zinc/15/07/17/423150717.db2.gz YIUOTHUZBGHLQK-HYVNUMGLSA-N 2 1 301.434 1.480 10 0 DDAEMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649299351 423733259 /nfs/dbraw/zinc/73/32/59/423733259.db2.gz MCJYVWHLSIKIHM-IAGOWNOFSA-N 2 1 317.433 1.003 10 0 DDAEMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C[N@H+]1Cc1ccccc1 ZINC000649343818 423774294 /nfs/dbraw/zinc/77/42/94/423774294.db2.gz YAHUWGHGCGMWOE-HYVNUMGLSA-N 2 1 317.433 1.002 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000173642781 281189683 /nfs/dbraw/zinc/18/96/83/281189683.db2.gz DLVYINZFQFSGEJ-DOTOQJQBSA-N 2 1 320.481 1.881 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171906007 298239286 /nfs/dbraw/zinc/23/92/86/298239286.db2.gz PDMUYFZMCARHHH-MRXNPFEDSA-N 2 1 308.470 1.598 10 0 DDAEMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261961582 698447772 /nfs/dbraw/zinc/44/77/72/698447772.db2.gz PQBGHJBMCIZFDP-ZJPYXAASSA-N 2 1 304.434 1.775 10 0 DDAEMP Cc1cc[nH+]c(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262126010 698455786 /nfs/dbraw/zinc/45/57/86/698455786.db2.gz LAQKTQKCLPSLNF-GJZGRUSLSA-N 2 1 302.422 1.475 10 0 DDAEMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098105 709213320 /nfs/dbraw/zinc/21/33/20/709213320.db2.gz ZXMPZKZMERVUDC-MUIFIZLQSA-N 2 1 321.469 1.428 10 0 DDAEMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncnn1C(C)C)C2 ZINC000888098105 709213323 /nfs/dbraw/zinc/21/33/23/709213323.db2.gz ZXMPZKZMERVUDC-MUIFIZLQSA-N 2 1 321.469 1.428 10 0 DDAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000150752146 186063598 /nfs/dbraw/zinc/06/35/98/186063598.db2.gz HFRJRPPCQGIHEQ-DLBZAZTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000150752146 186063600 /nfs/dbraw/zinc/06/36/00/186063600.db2.gz HFRJRPPCQGIHEQ-DLBZAZTESA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000150752146 186063601 /nfs/dbraw/zinc/06/36/01/186063601.db2.gz HFRJRPPCQGIHEQ-DLBZAZTESA-N 2 1 322.497 1.844 10 0 DDAEMP Cc1[nH+]ccn1CC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000090472548 192924047 /nfs/dbraw/zinc/92/40/47/192924047.db2.gz AXWHDKSUKMCWLQ-UHFFFAOYSA-N 2 1 304.438 1.916 10 0 DDAEMP CCC(CC)[N@H+](CCOC)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321429 193039983 /nfs/dbraw/zinc/03/99/83/193039983.db2.gz QVVDJJFECIOTIK-AWEZNQCLSA-N 2 1 301.475 1.756 10 0 DDAEMP CCC(CC)[N@@H+](CCOC)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321429 193039986 /nfs/dbraw/zinc/03/99/86/193039986.db2.gz QVVDJJFECIOTIK-AWEZNQCLSA-N 2 1 301.475 1.756 10 0 DDAEMP C[NH2+][C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1cnn(C)c1 ZINC000262419852 203289292 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CC[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccccc2)CC1 ZINC000084926244 407096433 /nfs/dbraw/zinc/09/64/33/407096433.db2.gz OHKOTDIRMCXVBM-SFHVURJKSA-N 2 1 306.450 1.980 10 0 DDAEMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccccc2)CC1 ZINC000084926244 407096435 /nfs/dbraw/zinc/09/64/35/407096435.db2.gz OHKOTDIRMCXVBM-SFHVURJKSA-N 2 1 306.450 1.980 10 0 DDAEMP CC(C)[NH+](CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)C(C)C ZINC000113578063 407515572 /nfs/dbraw/zinc/51/55/72/407515572.db2.gz SLHUVUNPIZADMQ-HZPDHXFCSA-N 2 1 310.486 1.983 10 0 DDAEMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000261752449 407599806 /nfs/dbraw/zinc/59/98/06/407599806.db2.gz NKZCFOGGQGNLFT-SJORKVTESA-N 2 1 301.434 1.673 10 0 DDAEMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000261752449 407599808 /nfs/dbraw/zinc/59/98/08/407599808.db2.gz NKZCFOGGQGNLFT-SJORKVTESA-N 2 1 301.434 1.673 10 0 DDAEMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785423 407613614 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308.470 1.598 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000263236109 408070239 /nfs/dbraw/zinc/07/02/39/408070239.db2.gz OAVCUENOELTXPL-SMDDNHRTSA-N 2 1 306.797 1.400 10 0 DDAEMP CC(C)c1[nH+]ccn1CCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263283208 408090707 /nfs/dbraw/zinc/09/07/07/408090707.db2.gz UPCKLDZBVOGLOV-LBPRGKRZSA-N 2 1 304.398 1.208 10 0 DDAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000246010137 408118434 /nfs/dbraw/zinc/11/84/34/408118434.db2.gz IWWURAFMDQSTCH-FZKCQIBNSA-N 2 1 310.486 1.698 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000246189551 408170072 /nfs/dbraw/zinc/17/00/72/408170072.db2.gz MJVDRGQTFIYOQC-OAGGEKHMSA-N 2 1 310.486 1.985 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246264716 408197259 /nfs/dbraw/zinc/19/72/59/408197259.db2.gz LIVCYVHVHSRGOZ-BFYDXBDKSA-N 2 1 319.449 1.502 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246264716 408197263 /nfs/dbraw/zinc/19/72/63/408197263.db2.gz LIVCYVHVHSRGOZ-BFYDXBDKSA-N 2 1 319.449 1.502 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246924077 408368373 /nfs/dbraw/zinc/36/83/73/408368373.db2.gz GSOQZPCGFWZIPD-DZKIICNBSA-N 2 1 320.437 1.292 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000246924077 408368378 /nfs/dbraw/zinc/36/83/78/408368378.db2.gz GSOQZPCGFWZIPD-DZKIICNBSA-N 2 1 320.437 1.292 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247335127 408451008 /nfs/dbraw/zinc/45/10/08/408451008.db2.gz NELNKNDFVCXFHC-GVDBMIGSSA-N 2 1 324.513 1.992 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000247335127 408451010 /nfs/dbraw/zinc/45/10/10/408451010.db2.gz NELNKNDFVCXFHC-GVDBMIGSSA-N 2 1 324.513 1.992 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000247335127 408451013 /nfs/dbraw/zinc/45/10/13/408451013.db2.gz NELNKNDFVCXFHC-GVDBMIGSSA-N 2 1 324.513 1.992 10 0 DDAEMP C[C@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000247376885 408459424 /nfs/dbraw/zinc/45/94/24/408459424.db2.gz FWVXOOLNNODDAY-QAPCUYQASA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000247376885 408459429 /nfs/dbraw/zinc/45/94/29/408459429.db2.gz FWVXOOLNNODDAY-QAPCUYQASA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247376885 408459432 /nfs/dbraw/zinc/45/94/32/408459432.db2.gz FWVXOOLNNODDAY-QAPCUYQASA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247376885 408459438 /nfs/dbraw/zinc/45/94/38/408459438.db2.gz FWVXOOLNNODDAY-QAPCUYQASA-N 2 1 313.445 1.740 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390739467 418755489 /nfs/dbraw/zinc/75/54/89/418755489.db2.gz LGKICUWFODWDIK-OKZBNKHCSA-N 2 1 315.461 2.000 10 0 DDAEMP CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261924698 276802447 /nfs/dbraw/zinc/80/24/47/276802447.db2.gz KVFJBNSKXRYZCQ-ARFHVFGLSA-N 2 1 304.438 1.394 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262030326 698451175 /nfs/dbraw/zinc/45/11/75/698451175.db2.gz XJWDGIRHMVSOOX-YLFCFFPRSA-N 2 1 308.397 1.606 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715161826 699274631 /nfs/dbraw/zinc/27/46/31/699274631.db2.gz VQOFLGUWLOZLHM-XBFCOCLRSA-N 2 1 311.376 1.463 10 0 DDAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(C)(C)O)C2)ccn1 ZINC000886097186 708697420 /nfs/dbraw/zinc/69/74/20/708697420.db2.gz ZPYJINJFRABZMO-MRXNPFEDSA-N 2 1 307.438 1.757 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249763251 282194567 /nfs/dbraw/zinc/19/45/67/282194567.db2.gz MRVQRUSFOIMHSP-PMPSAXMXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249763251 282194569 /nfs/dbraw/zinc/19/45/69/282194569.db2.gz MRVQRUSFOIMHSP-PMPSAXMXSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249763251 282194570 /nfs/dbraw/zinc/19/45/70/282194570.db2.gz MRVQRUSFOIMHSP-PMPSAXMXSA-N 2 1 310.486 1.890 10 0 DDAEMP COc1c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(C)nn1C ZINC000328639484 539298192 /nfs/dbraw/zinc/29/81/92/539298192.db2.gz POLPTCIDNVYCFH-CYBMUJFWSA-N 2 1 303.410 1.628 10 0 DDAEMP COc1c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(C)nn1C ZINC000328639484 539298193 /nfs/dbraw/zinc/29/81/93/539298193.db2.gz POLPTCIDNVYCFH-CYBMUJFWSA-N 2 1 303.410 1.628 10 0 DDAEMP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396437 299119007 /nfs/dbraw/zinc/11/90/07/299119007.db2.gz GZAUMKLXOUROHK-YQQAZPJKSA-N 2 1 322.497 1.985 10 0 DDAEMP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480384 186166437 /nfs/dbraw/zinc/16/64/37/186166437.db2.gz JZFQNLURJZGMMN-IAGOWNOFSA-N 2 1 301.434 1.986 10 0 DDAEMP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480384 186166438 /nfs/dbraw/zinc/16/64/38/186166438.db2.gz JZFQNLURJZGMMN-IAGOWNOFSA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480384 186166440 /nfs/dbraw/zinc/16/64/40/186166440.db2.gz JZFQNLURJZGMMN-IAGOWNOFSA-N 2 1 301.434 1.986 10 0 DDAEMP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171480384 186166442 /nfs/dbraw/zinc/16/64/42/186166442.db2.gz JZFQNLURJZGMMN-IAGOWNOFSA-N 2 1 301.434 1.986 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCN3CCOCC3)C2)n1 ZINC000173779720 198250630 /nfs/dbraw/zinc/25/06/30/198250630.db2.gz DHLHIMPMEVNBNP-KRWDZBQOSA-N 2 1 318.465 1.846 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCN3CCOCC3)C2)[nH+]1 ZINC000173779720 198250631 /nfs/dbraw/zinc/25/06/31/198250631.db2.gz DHLHIMPMEVNBNP-KRWDZBQOSA-N 2 1 318.465 1.846 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCN3CCOCC3)C2)[nH+]1 ZINC000173779720 198250633 /nfs/dbraw/zinc/25/06/33/198250633.db2.gz DHLHIMPMEVNBNP-KRWDZBQOSA-N 2 1 318.465 1.846 10 0 DDAEMP CC[N@@H+]1CCO[C@H](COc2c(Cl)cc(C[NH3+])cc2OC)C1 ZINC000092050983 193148372 /nfs/dbraw/zinc/14/83/72/193148372.db2.gz LZKWBNVIAATDGQ-LBPRGKRZSA-N 2 1 314.813 1.907 10 0 DDAEMP CC[N@H+]1CCO[C@H](COc2c(Cl)cc(C[NH3+])cc2OC)C1 ZINC000092050983 193148374 /nfs/dbraw/zinc/14/83/74/193148374.db2.gz LZKWBNVIAATDGQ-LBPRGKRZSA-N 2 1 314.813 1.907 10 0 DDAEMP CCC[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@H+](C)CCOC ZINC000093592050 193271114 /nfs/dbraw/zinc/27/11/14/193271114.db2.gz MQSNTNMJHMLFKJ-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CCC[NH2+][C@@]1(C(=O)OC)CCC[C@@H]1CC[N@@H+](C)CCOC ZINC000093592050 193271116 /nfs/dbraw/zinc/27/11/16/193271116.db2.gz MQSNTNMJHMLFKJ-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP C[NH2+]CC[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638749 193388138 /nfs/dbraw/zinc/38/81/38/193388138.db2.gz WFRLSDLLUDGCEQ-ZNMIVQPWSA-N 2 1 302.484 1.806 10 0 DDAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638749 193388139 /nfs/dbraw/zinc/38/81/39/193388139.db2.gz WFRLSDLLUDGCEQ-ZNMIVQPWSA-N 2 1 302.484 1.806 10 0 DDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000174237787 248360806 /nfs/dbraw/zinc/36/08/06/248360806.db2.gz VUHJCEYESCWVKE-OAHLLOKOSA-N 2 1 307.442 1.755 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000174237787 248360809 /nfs/dbraw/zinc/36/08/09/248360809.db2.gz VUHJCEYESCWVKE-OAHLLOKOSA-N 2 1 307.442 1.755 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105079468 194070336 /nfs/dbraw/zinc/07/03/36/194070336.db2.gz CVMVEACODFKGCG-INIZCTEOSA-N 2 1 308.470 1.739 10 0 DDAEMP CCN[C@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145824 194395509 /nfs/dbraw/zinc/39/55/09/194395509.db2.gz QUGNQKMSNLCCRA-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP CN(Cc1ccc(Br)cc1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990417 184199528 /nfs/dbraw/zinc/19/95/28/184199528.db2.gz NYHGLNVYJLQBIU-CQSZACIVSA-N 2 1 312.255 1.914 10 0 DDAEMP C[NH2+]Cc1c(N2CCC[N@H+]3CCC[C@@H]3C2)nc2sccn12 ZINC000062941335 184261237 /nfs/dbraw/zinc/26/12/37/184261237.db2.gz HASSSAPUYBEVSY-GFCCVEGCSA-N 2 1 305.451 1.790 10 0 DDAEMP C[N@@H+](CCCO)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915683 407357284 /nfs/dbraw/zinc/35/72/84/407357284.db2.gz KPWUOSKBWVQZIQ-GOSISDBHSA-N 2 1 306.450 1.746 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833556 407523822 /nfs/dbraw/zinc/52/38/22/407523822.db2.gz NIXWTLWHNHWFKY-CABCVRRESA-N 2 1 310.486 1.842 10 0 DDAEMP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261713644 407590769 /nfs/dbraw/zinc/59/07/69/407590769.db2.gz MUHDRWCOHVQQLV-XYVMCAHJSA-N 2 1 315.461 1.869 10 0 DDAEMP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000261797234 407620270 /nfs/dbraw/zinc/62/02/70/407620270.db2.gz IRTIRSUGMRXGOT-AWEZNQCLSA-N 2 1 305.422 1.131 10 0 DDAEMP Fc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261974353 407698370 /nfs/dbraw/zinc/69/83/70/407698370.db2.gz QXSHKKSGHMXVFI-IMJJTQAJSA-N 2 1 308.397 1.951 10 0 DDAEMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261985664 407700946 /nfs/dbraw/zinc/70/09/46/407700946.db2.gz SAVIKOFVZMHZOJ-ZACQAIPSSA-N 2 1 306.454 1.326 10 0 DDAEMP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262258742 407776068 /nfs/dbraw/zinc/77/60/68/407776068.db2.gz JGRPESSVJRPGCC-CJNGLKHVSA-N 2 1 305.422 1.973 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000263161358 408042300 /nfs/dbraw/zinc/04/23/00/408042300.db2.gz DVHPLXZTDGZGQS-DGCLKSJQSA-N 2 1 304.312 1.298 10 0 DDAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263242952 408072448 /nfs/dbraw/zinc/07/24/48/408072448.db2.gz CMFABFZEASCWRM-AWEZNQCLSA-N 2 1 301.434 1.897 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000263297853 408095692 /nfs/dbraw/zinc/09/56/92/408095692.db2.gz WQHTYKRNJJTROK-ZYHUDNBSSA-N 2 1 322.302 1.437 10 0 DDAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000246399029 408245993 /nfs/dbraw/zinc/24/59/93/408245993.db2.gz RKBNNMDINPDIIV-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000246399029 408246002 /nfs/dbraw/zinc/24/60/02/408246002.db2.gz RKBNNMDINPDIIV-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000246399029 408246007 /nfs/dbraw/zinc/24/60/07/408246007.db2.gz RKBNNMDINPDIIV-CVEARBPZSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1C[C@H](C)O ZINC000246507464 408277921 /nfs/dbraw/zinc/27/79/21/408277921.db2.gz QFQFPAKJEWILRN-BBRMVZONSA-N 2 1 305.422 1.063 10 0 DDAEMP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171645019 162232969 /nfs/dbraw/zinc/23/29/69/162232969.db2.gz XYNJUSMZVYUUBE-QGZVFWFLSA-N 2 1 320.481 1.741 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000173830721 162368166 /nfs/dbraw/zinc/36/81/66/162368166.db2.gz MJVDRGQTFIYOQC-BZUAXINKSA-N 2 1 310.486 1.985 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000247376785 408458967 /nfs/dbraw/zinc/45/89/67/408458967.db2.gz PNHKJGVNSUPCLY-KFWWJZLASA-N 2 1 312.502 1.991 10 0 DDAEMP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247041122 408392852 /nfs/dbraw/zinc/39/28/52/408392852.db2.gz MXNGMTCECKKHCY-UKRRQHHQSA-N 2 1 308.426 1.197 10 0 DDAEMP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247041122 408392857 /nfs/dbraw/zinc/39/28/57/408392857.db2.gz MXNGMTCECKKHCY-UKRRQHHQSA-N 2 1 308.426 1.197 10 0 DDAEMP Cc1cccc(NC[C@@H]2CCN(Cc3nc(N(C)C)no3)C2)n1 ZINC000185264677 408788120 /nfs/dbraw/zinc/78/81/20/408788120.db2.gz NXITXWQKEXVKEQ-ZDUSSCGKSA-N 2 1 316.409 1.773 10 0 DDAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662743680 424753476 /nfs/dbraw/zinc/75/34/76/424753476.db2.gz KVUNZTXJNIUHRU-IAGOWNOFSA-N 2 1 318.465 1.046 10 0 DDAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662743680 424753479 /nfs/dbraw/zinc/75/34/79/424753479.db2.gz KVUNZTXJNIUHRU-IAGOWNOFSA-N 2 1 318.465 1.046 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246859624 279256522 /nfs/dbraw/zinc/25/65/22/279256522.db2.gz FNPDKESZVRPFOC-NVXWUHKLSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000245474078 279298162 /nfs/dbraw/zinc/29/81/62/279298162.db2.gz QNSPLVRMHXKZSM-GDBMZVCRSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000245474078 279298164 /nfs/dbraw/zinc/29/81/64/279298164.db2.gz QNSPLVRMHXKZSM-GDBMZVCRSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000245474078 279298165 /nfs/dbraw/zinc/29/81/65/279298165.db2.gz QNSPLVRMHXKZSM-GDBMZVCRSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261819512 279344573 /nfs/dbraw/zinc/34/45/73/279344573.db2.gz SEHAVNPBABGBSV-UAGQMJEPSA-N 2 1 303.450 1.916 10 0 DDAEMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000090773222 484013141 /nfs/dbraw/zinc/01/31/41/484013141.db2.gz ZISTZUZIAJMSPO-OAHLLOKOSA-N 2 1 317.499 1.120 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000090773222 484013148 /nfs/dbraw/zinc/01/31/48/484013148.db2.gz ZISTZUZIAJMSPO-OAHLLOKOSA-N 2 1 317.499 1.120 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OC(F)F)cc1C ZINC000263110316 484274806 /nfs/dbraw/zinc/27/48/06/484274806.db2.gz AFPTYBNYBLUANN-OLZOCXBDSA-N 2 1 300.349 1.575 10 0 DDAEMP CCCCOC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246638586 698352971 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CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000110031098 194303790 /nfs/dbraw/zinc/30/37/90/194303790.db2.gz CVHGYFOFKZHNIE-ZBFHGGJFSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1C[C@@H](C)O ZINC000110031098 194303791 /nfs/dbraw/zinc/30/37/91/194303791.db2.gz CVHGYFOFKZHNIE-ZBFHGGJFSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000062010787 184201365 /nfs/dbraw/zinc/20/13/65/184201365.db2.gz OWTKOBNMYGYPCK-OAHLLOKOSA-N 2 1 311.451 1.469 10 0 DDAEMP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000062010786 184201373 /nfs/dbraw/zinc/20/13/73/184201373.db2.gz OWTKOBNMYGYPCK-HNNXBMFYSA-N 2 1 311.451 1.469 10 0 DDAEMP C[C@@H]1CCN(Cc2noc(C[NH3+])n2)CC[N@@H+]1Cc1ccccc1 ZINC000261655572 407569393 /nfs/dbraw/zinc/56/93/93/407569393.db2.gz GQOPFAGCLZYOTN-CQSZACIVSA-N 2 1 315.421 1.625 10 0 DDAEMP C[C@@H]1CCN(Cc2noc(C[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC000261655572 407569397 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CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172494081 162278211 /nfs/dbraw/zinc/27/82/11/162278211.db2.gz YUUZICXCFKBHCQ-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172494081 162278214 /nfs/dbraw/zinc/27/82/14/162278214.db2.gz YUUZICXCFKBHCQ-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP CCOCCN1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC000246984654 408380255 /nfs/dbraw/zinc/38/02/55/408380255.db2.gz FSFBVYZCDWDFST-JKSUJKDBSA-N 2 1 311.470 1.430 10 0 DDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCC[NH2+]CC2)C1 ZINC000665283715 424773813 /nfs/dbraw/zinc/77/38/13/424773813.db2.gz SUDRHOQKISPOIA-RTBURBONSA-N 2 1 316.493 1.534 10 0 DDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCC[NH2+]CC2)C1 ZINC000665283715 424773815 /nfs/dbraw/zinc/77/38/15/424773815.db2.gz SUDRHOQKISPOIA-RTBURBONSA-N 2 1 316.493 1.534 10 0 DDAEMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246367887 276186444 /nfs/dbraw/zinc/18/64/44/276186444.db2.gz QWINPZCNPGWMHX-IRXDYDNUSA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000246367887 276186445 /nfs/dbraw/zinc/18/64/45/276186445.db2.gz QWINPZCNPGWMHX-IRXDYDNUSA-N 2 1 303.450 1.760 10 0 DDAEMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105103300 277384230 /nfs/dbraw/zinc/38/42/30/277384230.db2.gz QKOHQKDBXQGFBJ-KRWDZBQOSA-N 2 1 322.497 1.987 10 0 DDAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000247088044 282034341 /nfs/dbraw/zinc/03/43/41/282034341.db2.gz PQENNKBILUNHRO-HZPDHXFCSA-N 2 1 319.405 1.827 10 0 DDAEMP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077537250 295240848 /nfs/dbraw/zinc/24/08/48/295240848.db2.gz CEIUMLLUZZIKSG-IBGZPJMESA-N 3 1 317.477 1.611 10 0 DDAEMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077537250 295240851 /nfs/dbraw/zinc/24/08/51/295240851.db2.gz CEIUMLLUZZIKSG-IBGZPJMESA-N 3 1 317.477 1.611 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261605934 698428773 /nfs/dbraw/zinc/42/87/73/698428773.db2.gz BAZVAZACMFKMSS-DJIMGWMZSA-N 2 1 301.434 1.575 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC000246876039 282214276 /nfs/dbraw/zinc/21/42/76/282214276.db2.gz DFMYEDSCDMXAGX-ZBFHGGJFSA-N 2 1 304.438 1.914 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C)C1 ZINC000246876039 282214282 /nfs/dbraw/zinc/21/42/82/282214282.db2.gz DFMYEDSCDMXAGX-ZBFHGGJFSA-N 2 1 304.438 1.914 10 0 DDAEMP C[NH2+][C@@H]1COC[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000090438675 185296489 /nfs/dbraw/zinc/29/64/89/185296489.db2.gz CJFRHAGVGAYEMF-CZUORRHYSA-N 2 1 309.841 1.696 10 0 DDAEMP Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1C[NH3+] ZINC000092679047 185333444 /nfs/dbraw/zinc/33/34/44/185333444.db2.gz VHDDXYCXJQFYFU-CQSZACIVSA-N 2 1 311.451 1.168 10 0 DDAEMP CCC[N@@H+]([C@H]1CCC[C@@H]1S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000091851607 193118312 /nfs/dbraw/zinc/11/83/12/193118312.db2.gz JATFZXPTGJFCEM-WUCCLRPBSA-N 2 1 302.484 1.934 10 0 DDAEMP C[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+](CCOC)[C@@H](C)COC ZINC000093617800 193275018 /nfs/dbraw/zinc/27/50/18/193275018.db2.gz SPOVUMXQECBCHQ-JYJNAYRXSA-N 2 1 302.459 1.110 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+](CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094638896 193388120 /nfs/dbraw/zinc/38/81/20/193388120.db2.gz STWCWSNIJQOYOY-JKSUJKDBSA-N 2 1 314.495 1.806 10 0 DDAEMP COCCC[N@H+](CCOC)[C@]1(C[NH3+])CSCCC1(C)C ZINC000094484157 193373114 /nfs/dbraw/zinc/37/31/14/193373114.db2.gz HQSYZRSKTLQGBE-OAHLLOKOSA-N 2 1 304.500 1.832 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@]1(C[NH3+])CSCCC1(C)C ZINC000094484157 193373116 /nfs/dbraw/zinc/37/31/16/193373116.db2.gz HQSYZRSKTLQGBE-OAHLLOKOSA-N 2 1 304.500 1.832 10 0 DDAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105127604 194076911 /nfs/dbraw/zinc/07/69/11/194076911.db2.gz WRRNDMDCERGCHG-HZPDHXFCSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105127604 194076913 /nfs/dbraw/zinc/07/69/13/194076913.db2.gz WRRNDMDCERGCHG-HZPDHXFCSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105127604 194076916 /nfs/dbraw/zinc/07/69/16/194076916.db2.gz WRRNDMDCERGCHG-HZPDHXFCSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261713636 407590467 /nfs/dbraw/zinc/59/04/67/407590467.db2.gz MUHDRWCOHVQQLV-CYGHRXIMSA-N 2 1 315.461 1.869 10 0 DDAEMP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261543452 407542690 /nfs/dbraw/zinc/54/26/90/407542690.db2.gz HUTYSLKTONYHOL-DLBZAZTESA-N 2 1 301.434 1.719 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)NC1CCCCC1 ZINC000261873258 407649946 /nfs/dbraw/zinc/64/99/46/407649946.db2.gz DJKAMDHXRQZLCD-ZACQAIPSSA-N 2 1 323.481 1.572 10 0 DDAEMP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261918377 407672715 /nfs/dbraw/zinc/67/27/15/407672715.db2.gz JZEQIYMIDVWMKX-ARFHVFGLSA-N 2 1 303.406 1.032 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261962626 407691416 /nfs/dbraw/zinc/69/14/16/407691416.db2.gz PKORBGQYZPUUSS-HUUCEWRRSA-N 2 1 321.469 1.699 10 0 DDAEMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262006990 407708972 /nfs/dbraw/zinc/70/89/72/407708972.db2.gz VEOAXDZOZOZERZ-BZUAXINKSA-N 2 1 304.438 1.394 10 0 DDAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262087670 407733627 /nfs/dbraw/zinc/73/36/27/407733627.db2.gz CTILKYQMFDVGPO-QLFBSQMISA-N 2 1 311.470 1.225 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000262314716 407793197 /nfs/dbraw/zinc/79/31/97/407793197.db2.gz QSQGPAUXYGLPTF-HZMVEIRTSA-N 2 1 323.481 1.476 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000262314716 407793201 /nfs/dbraw/zinc/79/32/01/407793201.db2.gz QSQGPAUXYGLPTF-HZMVEIRTSA-N 2 1 323.481 1.476 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262400165 407824303 /nfs/dbraw/zinc/82/43/03/407824303.db2.gz CEGMNMQIORKVET-JGGQBBKZSA-N 2 1 305.397 1.453 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262400165 407824310 /nfs/dbraw/zinc/82/43/10/407824310.db2.gz CEGMNMQIORKVET-JGGQBBKZSA-N 2 1 305.397 1.453 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1CCOC ZINC000262729068 407909613 /nfs/dbraw/zinc/90/96/13/407909613.db2.gz BGTXMWRJMGORIJ-VYDXJSESSA-N 2 1 311.470 1.463 10 0 DDAEMP COc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263285454 408091418 /nfs/dbraw/zinc/09/14/18/408091418.db2.gz UYLJNJTWZVFYQR-CMPLNLGQSA-N 2 1 315.211 1.128 10 0 DDAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)sc1Br ZINC000263311344 408101950 /nfs/dbraw/zinc/10/19/50/408101950.db2.gz YSGCFIVAPDCWRP-SCZZXKLOSA-N 2 1 305.241 1.489 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1C[NH2+]C1 ZINC000263321328 408107784 /nfs/dbraw/zinc/10/77/84/408107784.db2.gz RMSVYNLCDCMPKM-HALDLXJZSA-N 2 1 301.434 1.479 10 0 DDAEMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263203969 408056219 /nfs/dbraw/zinc/05/62/19/408056219.db2.gz JLLFCIAMRNGYDT-IRXDYDNUSA-N 2 1 313.401 1.427 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246126158 408146774 /nfs/dbraw/zinc/14/67/74/408146774.db2.gz ANGRUYHRELSXEW-JYYAWHABSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246126158 408146782 /nfs/dbraw/zinc/14/67/82/408146782.db2.gz ANGRUYHRELSXEW-JYYAWHABSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246126158 408146790 /nfs/dbraw/zinc/14/67/90/408146790.db2.gz ANGRUYHRELSXEW-JYYAWHABSA-N 2 1 320.481 1.880 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000176223035 408314361 /nfs/dbraw/zinc/31/43/61/408314361.db2.gz QNSPLVRMHXKZSM-GOEBONIOSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000176223035 408314367 /nfs/dbraw/zinc/31/43/67/408314367.db2.gz QNSPLVRMHXKZSM-GOEBONIOSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000176223035 408314373 /nfs/dbraw/zinc/31/43/73/408314373.db2.gz QNSPLVRMHXKZSM-GOEBONIOSA-N 2 1 308.470 1.596 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171899146 162246202 /nfs/dbraw/zinc/24/62/02/162246202.db2.gz FSOLTFQXAPDBIQ-MRXNPFEDSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)C[NH+]1CCCCC1 ZINC000247508243 408485169 /nfs/dbraw/zinc/48/51/69/408485169.db2.gz VPCXBJCJMKFGOH-IKGGRYGDSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282239917 409016889 /nfs/dbraw/zinc/01/68/89/409016889.db2.gz IZSFNKAQXLBZCB-WMLDXEAASA-N 2 1 301.434 1.908 10 0 DDAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000309567244 409783880 /nfs/dbraw/zinc/78/38/80/409783880.db2.gz XRMVRCDMYKAHDH-HZPDHXFCSA-N 2 1 305.422 1.002 10 0 DDAEMP C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000351884713 410316935 /nfs/dbraw/zinc/31/69/35/410316935.db2.gz FIAGRXAXVOTJBQ-BHYGNILZSA-N 2 1 301.434 1.765 10 0 DDAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864921 418751364 /nfs/dbraw/zinc/75/13/64/418751364.db2.gz GFROGLWGTQUFAL-UAGQMJEPSA-N 2 1 303.450 1.997 10 0 DDAEMP C[C@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247127157 289392939 /nfs/dbraw/zinc/39/29/39/289392939.db2.gz KCSSXSBDFACZTI-RHSMWYFYSA-N 2 1 319.449 1.238 10 0 DDAEMP C[C@H](c1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1)[NH+]1CCOCC1 ZINC000262403750 290236740 /nfs/dbraw/zinc/23/67/40/290236740.db2.gz PULVQBUUIIZGQX-UONOGXRCSA-N 2 1 317.433 1.874 10 0 DDAEMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262326353 484268883 /nfs/dbraw/zinc/26/88/83/484268883.db2.gz RVCMOGSXRLEEEM-SJORKVTESA-N 2 1 319.449 1.229 10 0 DDAEMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261911295 698444302 /nfs/dbraw/zinc/44/43/02/698444302.db2.gz JCBINLAWCYDZSG-BBWFWOEESA-N 2 1 320.433 1.951 10 0 DDAEMP O=C1NCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716670500 699283413 /nfs/dbraw/zinc/28/34/13/699283413.db2.gz NHIAFWQYIZIGSM-XWTMOSNGSA-N 2 1 313.445 1.908 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[N@H+](CC)CCOC ZINC000093591129 193270772 /nfs/dbraw/zinc/27/07/72/193270772.db2.gz OZYOWFVSFGYXJW-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](CC)CCOC ZINC000093591129 193270773 /nfs/dbraw/zinc/27/07/73/193270773.db2.gz OZYOWFVSFGYXJW-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OCC)CCC[C@@H]1CC[N@H+](C)CCOC ZINC000093592035 193271728 /nfs/dbraw/zinc/27/17/28/193271728.db2.gz MQLCWPFCHXZMNC-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OCC)CCC[C@@H]1CC[N@@H+](C)CCOC ZINC000093592035 193271730 /nfs/dbraw/zinc/27/17/30/193271730.db2.gz MQLCWPFCHXZMNC-ZBFHGGJFSA-N 2 1 300.443 1.666 10 0 DDAEMP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702657 193295435 /nfs/dbraw/zinc/29/54/35/193295435.db2.gz QTGBASLTABTCKV-KGLIPLIRSA-N 2 1 317.499 1.120 10 0 DDAEMP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093702657 193295436 /nfs/dbraw/zinc/29/54/36/193295436.db2.gz QTGBASLTABTCKV-KGLIPLIRSA-N 2 1 317.499 1.120 10 0 DDAEMP COCC[N@@H+]([C@H](C)COC)[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093857024 193320060 /nfs/dbraw/zinc/32/00/60/193320060.db2.gz GPVOGFTVUSPBQF-FVQBIDKESA-N 2 1 300.443 1.005 10 0 DDAEMP CC1(C)CCSC[C@@]1(C[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000094484317 193372364 /nfs/dbraw/zinc/37/23/64/193372364.db2.gz XVABRDJQQBWOPY-GOEBONIOSA-N 2 1 313.511 1.254 10 0 DDAEMP CC1(C)CCSC[C@@]1(C[NH3+])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000094484317 193372366 /nfs/dbraw/zinc/37/23/66/193372366.db2.gz XVABRDJQQBWOPY-GOEBONIOSA-N 2 1 313.511 1.254 10 0 DDAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038858489 183011966 /nfs/dbraw/zinc/01/19/66/183011966.db2.gz DTPBTBUVEBIXTN-INIZCTEOSA-N 2 1 319.424 1.812 10 0 DDAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038858489 183011968 /nfs/dbraw/zinc/01/19/68/183011968.db2.gz DTPBTBUVEBIXTN-INIZCTEOSA-N 2 1 319.424 1.812 10 0 DDAEMP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000040716283 183122873 /nfs/dbraw/zinc/12/28/73/183122873.db2.gz IYRRWAWXBCEXGA-AWEZNQCLSA-N 2 1 311.451 1.169 10 0 DDAEMP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040716283 183122876 /nfs/dbraw/zinc/12/28/76/183122876.db2.gz IYRRWAWXBCEXGA-AWEZNQCLSA-N 2 1 311.451 1.169 10 0 DDAEMP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040716240 183123071 /nfs/dbraw/zinc/12/30/71/183123071.db2.gz YWRMHXJCWHZFIU-GXTWGEPZSA-N 2 1 311.451 1.340 10 0 DDAEMP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040716240 183123073 /nfs/dbraw/zinc/12/30/73/183123073.db2.gz YWRMHXJCWHZFIU-GXTWGEPZSA-N 2 1 311.451 1.340 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)COC(C)(C)C)CC1 ZINC000105915500 194168778 /nfs/dbraw/zinc/16/87/78/194168778.db2.gz FMPSGYVTZGXCFB-HOCLYGCPSA-N 2 1 316.486 1.187 10 0 DDAEMP CN(Cc1ccccc1Br)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990425 184200111 /nfs/dbraw/zinc/20/01/11/184200111.db2.gz OCXIDMNAOFJZAH-CQSZACIVSA-N 2 1 312.255 1.914 10 0 DDAEMP [NH3+]Cc1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000062941574 184261779 /nfs/dbraw/zinc/26/17/79/184261779.db2.gz IHCSCDPKXOBWSC-CQSZACIVSA-N 2 1 309.435 1.004 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261698711 407583110 /nfs/dbraw/zinc/58/31/10/407583110.db2.gz BJNLXQFFJILGSJ-ZBFHGGJFSA-N 2 1 311.470 1.511 10 0 DDAEMP COCC[N@@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000171193067 407624091 /nfs/dbraw/zinc/62/40/91/407624091.db2.gz BYHIWPLBQPYDKT-MRXNPFEDSA-N 2 1 322.453 1.167 10 0 DDAEMP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc2c1OCC2 ZINC000261845212 407638932 /nfs/dbraw/zinc/63/89/32/407638932.db2.gz AREDJMYCEGVWBX-RCCFBDPRSA-N 2 1 316.445 1.911 10 0 DDAEMP CN(C)c1nccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261737502 407595580 /nfs/dbraw/zinc/59/55/80/407595580.db2.gz OWCULAXCUZSFFN-WBVHZDCISA-N 2 1 311.433 1.717 10 0 DDAEMP COCCN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261929645 407676332 /nfs/dbraw/zinc/67/63/32/407676332.db2.gz LKLAMDFBCBGLHV-HRCADAONSA-N 2 1 304.438 1.333 10 0 DDAEMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261932211 407677751 /nfs/dbraw/zinc/67/77/51/407677751.db2.gz LUDKWNFEVNGUJU-KZNAEPCWSA-N 2 1 317.433 1.892 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048445 407724064 /nfs/dbraw/zinc/72/40/64/407724064.db2.gz ZIWQYBNBJRHJGG-QRVBRYPASA-N 2 1 317.477 1.865 10 0 DDAEMP COC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000262302924 407791472 /nfs/dbraw/zinc/79/14/72/407791472.db2.gz OCKJZRQNZDKMEN-OIISXLGYSA-N 2 1 319.449 1.377 10 0 DDAEMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262509498 407853101 /nfs/dbraw/zinc/85/31/01/407853101.db2.gz MVQZGEXWURSBCV-IMJJTQAJSA-N 2 1 323.462 1.106 10 0 DDAEMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262509498 407853104 /nfs/dbraw/zinc/85/31/04/407853104.db2.gz MVQZGEXWURSBCV-IMJJTQAJSA-N 2 1 323.462 1.106 10 0 DDAEMP CC1CC[NH+](CCN2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000153820354 407911196 /nfs/dbraw/zinc/91/11/96/407911196.db2.gz KADDHZYDBGPVPA-UHFFFAOYSA-N 2 1 319.497 1.660 10 0 DDAEMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000153820354 407911199 /nfs/dbraw/zinc/91/11/99/407911199.db2.gz KADDHZYDBGPVPA-UHFFFAOYSA-N 2 1 319.497 1.660 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000245414660 407972744 /nfs/dbraw/zinc/97/27/44/407972744.db2.gz CMZLXKOSBCWFFR-CABCVRRESA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000245414660 407972754 /nfs/dbraw/zinc/97/27/54/407972754.db2.gz CMZLXKOSBCWFFR-CABCVRRESA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171903977 162246854 /nfs/dbraw/zinc/24/68/54/162246854.db2.gz YWWDHGFSRXIIEV-HZPDHXFCSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171903977 162246859 /nfs/dbraw/zinc/24/68/59/162246859.db2.gz YWWDHGFSRXIIEV-HZPDHXFCSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171903977 162246864 /nfs/dbraw/zinc/24/68/64/162246864.db2.gz YWWDHGFSRXIIEV-HZPDHXFCSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172251330 162266617 /nfs/dbraw/zinc/26/66/17/162266617.db2.gz BPYDKJSXJXEFTK-WMLDXEAASA-N 2 1 320.481 1.739 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000246924110 408366493 /nfs/dbraw/zinc/36/64/93/408366493.db2.gz GSOQZPCGFWZIPD-FMKPAKJESA-N 2 1 320.437 1.292 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000246924110 408366495 /nfs/dbraw/zinc/36/64/95/408366495.db2.gz GSOQZPCGFWZIPD-FMKPAKJESA-N 2 1 320.437 1.292 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3CCO[C@H](C)C3)C2)[nH+]1 ZINC000191504379 408437222 /nfs/dbraw/zinc/43/72/22/408437222.db2.gz UCFSXEMCXFLDBS-SJORKVTESA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCN3CCO[C@H](C)C3)C2)[nH+]1 ZINC000191504379 408437227 /nfs/dbraw/zinc/43/72/27/408437227.db2.gz UCFSXEMCXFLDBS-SJORKVTESA-N 2 1 318.465 1.845 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000194161157 408769033 /nfs/dbraw/zinc/76/90/33/408769033.db2.gz KHIVWJMLUXKDMR-CVEARBPZSA-N 2 1 310.486 1.892 10 0 DDAEMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195336355 163318160 /nfs/dbraw/zinc/31/81/60/163318160.db2.gz WHQNPTQXXZIUMO-QZTJIDSGSA-N 2 1 313.445 1.958 10 0 DDAEMP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336355 163318164 /nfs/dbraw/zinc/31/81/64/163318164.db2.gz WHQNPTQXXZIUMO-QZTJIDSGSA-N 2 1 313.445 1.958 10 0 DDAEMP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195336355 163318166 /nfs/dbraw/zinc/31/81/66/163318166.db2.gz WHQNPTQXXZIUMO-QZTJIDSGSA-N 2 1 313.445 1.958 10 0 DDAEMP CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261839799 163713384 /nfs/dbraw/zinc/71/33/84/163713384.db2.gz AIEDLYKKOOCDGE-BBWFWOEESA-N 2 1 323.481 1.524 10 0 DDAEMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167971962 274976670 /nfs/dbraw/zinc/97/66/70/274976670.db2.gz KPDRHAFTYZIDGC-IRXDYDNUSA-N 2 1 317.433 1.006 10 0 DDAEMP CC(C)n1ccnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862761 276085676 /nfs/dbraw/zinc/08/56/76/276085676.db2.gz SQCDYBLPGIDALV-HNNXBMFYSA-N 2 1 308.470 1.989 10 0 DDAEMP CC(C)n1ccnc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862761 276085678 /nfs/dbraw/zinc/08/56/78/276085678.db2.gz SQCDYBLPGIDALV-HNNXBMFYSA-N 2 1 308.470 1.989 10 0 DDAEMP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588802 279077328 /nfs/dbraw/zinc/07/73/28/279077328.db2.gz VPUQEQSMCOWRHI-CABCVRRESA-N 2 1 313.486 1.268 10 0 DDAEMP CC[N@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)C1CC1 ZINC000176083151 279194745 /nfs/dbraw/zinc/19/47/45/279194745.db2.gz NVHKHFLRESZPMH-MRXNPFEDSA-N 2 1 319.453 1.850 10 0 DDAEMP CC[N@@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)C1CC1 ZINC000176083151 279194747 /nfs/dbraw/zinc/19/47/47/279194747.db2.gz NVHKHFLRESZPMH-MRXNPFEDSA-N 2 1 319.453 1.850 10 0 DDAEMP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+]1CCc2ccccc2C1 ZINC000111606363 279204234 /nfs/dbraw/zinc/20/42/34/279204234.db2.gz RNLHPMVUGUCOSG-PBHICJAKSA-N 2 1 301.434 1.596 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000262008568 279349483 /nfs/dbraw/zinc/34/94/83/279349483.db2.gz VGYXHUNYGRCYQO-ZKXLYKBJSA-N 2 1 309.498 1.996 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000262008568 279349484 /nfs/dbraw/zinc/34/94/84/279349484.db2.gz VGYXHUNYGRCYQO-ZKXLYKBJSA-N 2 1 309.498 1.996 10 0 DDAEMP CC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000245702296 281130782 /nfs/dbraw/zinc/13/07/82/281130782.db2.gz CQOXGWQRBYSUOZ-HOCLYGCPSA-N 2 1 311.470 1.070 10 0 DDAEMP Cc1nccn1CCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122429607 281156361 /nfs/dbraw/zinc/15/63/61/281156361.db2.gz ZUDSSFRGAWDXAO-HOCLYGCPSA-N 2 1 321.469 1.952 10 0 DDAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122429607 281156364 /nfs/dbraw/zinc/15/63/64/281156364.db2.gz ZUDSSFRGAWDXAO-HOCLYGCPSA-N 2 1 321.469 1.952 10 0 DDAEMP C[C@H]1C[NH+](CCOCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247027158 282029938 /nfs/dbraw/zinc/02/99/38/282029938.db2.gz MCXMWBFXCILVFX-KBPBESRZSA-N 2 1 304.525 1.878 10 0 DDAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)[C@H](C)C1 ZINC000089732302 521721674 /nfs/dbraw/zinc/72/16/74/521721674.db2.gz XATSDZVKLFQPID-OAGGEKHMSA-N 2 1 303.454 1.765 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588236 699250417 /nfs/dbraw/zinc/25/04/17/699250417.db2.gz AULHDUYJTYVXEO-PXZKZTPFSA-N 2 1 301.434 1.608 10 0 DDAEMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[NH+]1CCSCC1 ZINC000132899011 539189921 /nfs/dbraw/zinc/18/99/21/539189921.db2.gz YVJZYMRMNDHYMM-GDBMZVCRSA-N 2 1 321.490 1.843 10 0 DDAEMP COCC[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185175623 539245762 /nfs/dbraw/zinc/24/57/62/539245762.db2.gz PYQGQDTWZLOEKH-UHFFFAOYSA-N 2 1 309.429 1.522 10 0 DDAEMP CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CC)C2)o1 ZINC000088542435 185256430 /nfs/dbraw/zinc/25/64/30/185256430.db2.gz CVPMFSGANVAXKA-LBPRGKRZSA-N 2 1 315.439 1.009 10 0 DDAEMP C[C@@]1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)COC[C@H]1[NH3+] ZINC000090606522 185306478 /nfs/dbraw/zinc/30/64/78/185306478.db2.gz FOGXLMMTAAIKPD-HZPDHXFCSA-N 2 1 309.841 1.826 10 0 DDAEMP COc1cccc2c1CN(CCC[NH+]1CCOCC1)[C@H]2C[NH3+] ZINC000071683153 191007454 /nfs/dbraw/zinc/00/74/54/191007454.db2.gz KZTGQZOXNOQRBC-INIZCTEOSA-N 2 1 305.422 1.233 10 0 DDAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000174324599 198320535 /nfs/dbraw/zinc/32/05/35/198320535.db2.gz HCBXGDPCZDAYIY-LSDHHAIUSA-N 2 1 319.449 1.275 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000174324599 198320536 /nfs/dbraw/zinc/32/05/36/198320536.db2.gz HCBXGDPCZDAYIY-LSDHHAIUSA-N 2 1 319.449 1.275 10 0 DDAEMP CC[NH2+][C@]1(CO)CCC[C@@H]([N@@H+](CCOC)[C@@H](C)COC)C1 ZINC000093783353 193307654 /nfs/dbraw/zinc/30/76/54/193307654.db2.gz JQYUNLJLQLKLEP-ARFHVFGLSA-N 2 1 302.459 1.253 10 0 DDAEMP CC[NH2+][C@@]1(C(N)=O)CC[C@@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831911 193314748 /nfs/dbraw/zinc/31/47/48/193314748.db2.gz HKVFLANDKKBBOV-YPMHNXCESA-N 2 1 307.360 1.647 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000041681875 183216798 /nfs/dbraw/zinc/21/67/98/183216798.db2.gz PGOQIPTYTSTLJO-AWEZNQCLSA-N 2 1 305.488 1.026 10 0 DDAEMP CC[NH2+][C@@](C)(CCC[N@H+](C)CC1CCOCC1)C(=O)OC ZINC000111170129 194398428 /nfs/dbraw/zinc/39/84/28/194398428.db2.gz PCNYKOYNVUQDEG-INIZCTEOSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@](C)(CCC[N@@H+](C)CC1CCOCC1)C(=O)OC ZINC000111170129 194398430 /nfs/dbraw/zinc/39/84/30/194398430.db2.gz PCNYKOYNVUQDEG-INIZCTEOSA-N 2 1 300.443 1.666 10 0 DDAEMP NNc1[nH+]cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000062943612 184261810 /nfs/dbraw/zinc/26/18/10/184261810.db2.gz BMAOCQOYBFHSJJ-NSHDSACASA-N 2 1 309.801 1.331 10 0 DDAEMP NNc1[nH+]cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000062943612 184261812 /nfs/dbraw/zinc/26/18/12/184261812.db2.gz BMAOCQOYBFHSJJ-NSHDSACASA-N 2 1 309.801 1.331 10 0 DDAEMP NC(=[NH2+])c1ccc(Cl)cc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062980618 184264011 /nfs/dbraw/zinc/26/40/11/184264011.db2.gz FBKRUQVARUUIHL-LBPRGKRZSA-N 2 1 308.813 1.535 10 0 DDAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261878798 207366708 /nfs/dbraw/zinc/36/67/08/207366708.db2.gz FBQPOQFNIGANEH-XHSDSOJGSA-N 2 1 303.406 1.032 10 0 DDAEMP C[C@@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862786 407356756 /nfs/dbraw/zinc/35/67/56/407356756.db2.gz KCSSXSBDFACZTI-YOEHRIQHSA-N 2 1 319.449 1.238 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCc4sccc4C3)C[C@@H]12 ZINC000261714783 407589511 /nfs/dbraw/zinc/58/95/11/407589511.db2.gz PNBDQXUFXSRPHR-IACUBPJLSA-N 2 1 305.447 1.302 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCc4sccc4C3)C[C@@H]12 ZINC000261714783 407589517 /nfs/dbraw/zinc/58/95/17/407589517.db2.gz PNBDQXUFXSRPHR-IACUBPJLSA-N 2 1 305.447 1.302 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000170829578 407521223 /nfs/dbraw/zinc/52/12/23/407521223.db2.gz DQNDLFNKPADEQF-KRWDZBQOSA-N 2 1 316.449 1.390 10 0 DDAEMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261870351 407649175 /nfs/dbraw/zinc/64/91/75/407649175.db2.gz DDDSBGVFXFARPC-XDNAFOTISA-N 2 1 309.498 1.998 10 0 DDAEMP NC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261918378 407671316 /nfs/dbraw/zinc/67/13/16/407671316.db2.gz JZEQIYMIDVWMKX-BZUAXINKSA-N 2 1 303.406 1.032 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CCCCC1 ZINC000261936074 407677355 /nfs/dbraw/zinc/67/73/55/407677355.db2.gz MFVQCKXLYAFHLG-XHSDSOJGSA-N 2 1 309.454 1.136 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965907 407693915 /nfs/dbraw/zinc/69/39/15/407693915.db2.gz PZJNXKNCVXDKTE-ZKXLYKBJSA-N 2 1 309.498 1.854 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965907 407693918 /nfs/dbraw/zinc/69/39/18/407693918.db2.gz PZJNXKNCVXDKTE-ZKXLYKBJSA-N 2 1 309.498 1.854 10 0 DDAEMP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000261981436 407702187 /nfs/dbraw/zinc/70/21/87/407702187.db2.gz RSPASCIJLBIKCG-JONQDZQNSA-N 2 1 304.438 1.507 10 0 DDAEMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCSC1 ZINC000261998428 407706736 /nfs/dbraw/zinc/70/67/36/407706736.db2.gz UGFASBVYTCBRJI-WCVJEAGWSA-N 2 1 313.511 1.170 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000245474839 407996653 /nfs/dbraw/zinc/99/66/53/407996653.db2.gz RGRRDDYNDDTPIO-CVEARBPZSA-N 2 1 310.486 1.987 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000263223670 408063742 /nfs/dbraw/zinc/06/37/42/408063742.db2.gz MLSHIVQLUVGJEK-NWDGAFQWSA-N 2 1 304.312 1.298 10 0 DDAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000263288408 408090373 /nfs/dbraw/zinc/09/03/73/408090373.db2.gz VMZCBYLEYGEEFH-MWDXBVQZSA-N 2 1 324.513 1.377 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246238528 408189525 /nfs/dbraw/zinc/18/95/25/408189525.db2.gz INQVKKZZIGABFN-JYYAWHABSA-N 2 1 319.449 1.236 10 0 DDAEMP C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246238528 408189528 /nfs/dbraw/zinc/18/95/28/408189528.db2.gz INQVKKZZIGABFN-JYYAWHABSA-N 2 1 319.449 1.236 10 0 DDAEMP CCC[N@@H+](CC)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1CC ZINC000175761081 408198525 /nfs/dbraw/zinc/19/85/25/408198525.db2.gz LQOMKJQNEDQYLK-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175761081 408198532 /nfs/dbraw/zinc/19/85/32/408198532.db2.gz LQOMKJQNEDQYLK-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CCC[NH+](CC)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175761081 408198540 /nfs/dbraw/zinc/19/85/40/408198540.db2.gz LQOMKJQNEDQYLK-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000246750578 408330060 /nfs/dbraw/zinc/33/00/60/408330060.db2.gz BIRROFIHMCJUPO-QLFBSQMISA-N 2 1 322.453 1.910 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000246750578 408330065 /nfs/dbraw/zinc/33/00/65/408330065.db2.gz BIRROFIHMCJUPO-QLFBSQMISA-N 2 1 322.453 1.910 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176213612 408312812 /nfs/dbraw/zinc/31/28/12/408312812.db2.gz IJPZQEJVAFGDBY-IAGOWNOFSA-N 2 1 319.424 1.953 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176213612 408312816 /nfs/dbraw/zinc/31/28/16/408312816.db2.gz IJPZQEJVAFGDBY-IAGOWNOFSA-N 2 1 319.424 1.953 10 0 DDAEMP C[C@@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247127177 408412555 /nfs/dbraw/zinc/41/25/55/408412555.db2.gz KCSSXSBDFACZTI-WMLDXEAASA-N 2 1 319.449 1.238 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000248370120 408552977 /nfs/dbraw/zinc/55/29/77/408552977.db2.gz XCABQAYZRYAXIM-KRWDZBQOSA-N 2 1 322.497 1.146 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177314060 408576974 /nfs/dbraw/zinc/57/69/74/408576974.db2.gz VHTHXQDBVJXSNL-MRXNPFEDSA-N 2 1 310.486 1.985 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCN3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000249087009 408689113 /nfs/dbraw/zinc/68/91/13/408689113.db2.gz UCFSXEMCXFLDBS-IRXDYDNUSA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCN3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000249087009 408689117 /nfs/dbraw/zinc/68/91/17/408689117.db2.gz UCFSXEMCXFLDBS-IRXDYDNUSA-N 2 1 318.465 1.845 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000194138989 408766103 /nfs/dbraw/zinc/76/61/03/408766103.db2.gz KQBVIDVTJQSFBB-MRXNPFEDSA-N 2 1 310.486 1.890 10 0 DDAEMP C[N@@H+](CC[C@H]1CCCO1)C1CCN(CCn2cccn2)CC1 ZINC000189182303 163088362 /nfs/dbraw/zinc/08/83/62/163088362.db2.gz UGTAWFHBDACTMK-QGZVFWFLSA-N 2 1 306.454 1.848 10 0 DDAEMP C[NH2+][C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1cnn(C)c1 ZINC000262318529 163805479 /nfs/dbraw/zinc/80/54/79/163805479.db2.gz DVPZCUCUNGFFGL-OAHLLOKOSA-N 2 1 321.469 1.451 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837238 423150558 /nfs/dbraw/zinc/15/05/58/423150558.db2.gz YIUOTHUZBGHLQK-DJIMGWMZSA-N 2 1 301.434 1.480 10 0 DDAEMP CC(C)C[NH+]1CCC(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262044770 277386438 /nfs/dbraw/zinc/38/64/38/277386438.db2.gz YYHINDFHIFSCGU-KURKYZTESA-N 2 1 309.498 1.854 10 0 DDAEMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000247216516 282039199 /nfs/dbraw/zinc/03/91/99/282039199.db2.gz BIEIEJBYJYQVOW-SOLBZPMBSA-N 2 1 322.497 1.987 10 0 DDAEMP O=C(N1CC[N@@H+]2CCCC[C@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223763115 490700128 /nfs/dbraw/zinc/70/01/28/490700128.db2.gz HGELXBSKOXPFHW-WCQYABFASA-N 2 1 305.344 1.225 10 0 DDAEMP O=C(N1CC[N@H+]2CCCC[C@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223763115 490700132 /nfs/dbraw/zinc/70/01/32/490700132.db2.gz HGELXBSKOXPFHW-WCQYABFASA-N 2 1 305.344 1.225 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000262165002 698457671 /nfs/dbraw/zinc/45/76/71/698457671.db2.gz UDADZTCAHDAPGK-ZYHUDNBSSA-N 2 1 306.353 1.968 10 0 DDAEMP CN(C)C(=O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309939904 698668955 /nfs/dbraw/zinc/66/89/55/698668955.db2.gz ZHENRQFXCABVEL-IXDOHACOSA-N 2 1 301.434 1.575 10 0 DDAEMP CN(C)C(=O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309939904 698668957 /nfs/dbraw/zinc/66/89/57/698668957.db2.gz ZHENRQFXCABVEL-IXDOHACOSA-N 2 1 301.434 1.575 10 0 DDAEMP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108683 699324839 /nfs/dbraw/zinc/32/48/39/699324839.db2.gz IQUWTFAHOFYGES-ZJUUUORDSA-N 2 1 304.303 1.819 10 0 DDAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108683 699324842 /nfs/dbraw/zinc/32/48/42/699324842.db2.gz IQUWTFAHOFYGES-ZJUUUORDSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108683 699324845 /nfs/dbraw/zinc/32/48/45/699324845.db2.gz IQUWTFAHOFYGES-ZJUUUORDSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724108683 699324848 /nfs/dbraw/zinc/32/48/48/699324848.db2.gz IQUWTFAHOFYGES-ZJUUUORDSA-N 2 1 304.303 1.819 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000247914089 282198039 /nfs/dbraw/zinc/19/80/39/282198039.db2.gz ARRWLZPPRKBQTM-ZACQAIPSSA-N 2 1 316.449 1.777 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000170833515 282261245 /nfs/dbraw/zinc/26/12/45/282261245.db2.gz IRLAVSUILXISPP-INIZCTEOSA-N 2 1 304.438 1.464 10 0 DDAEMP Cc1ccc(NCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000171901354 198005387 /nfs/dbraw/zinc/00/53/87/198005387.db2.gz LWDLIHCARBDJNB-HNNXBMFYSA-N 2 1 317.437 1.682 10 0 DDAEMP Cc1ccc(NCCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC000171901354 198005388 /nfs/dbraw/zinc/00/53/88/198005388.db2.gz LWDLIHCARBDJNB-HNNXBMFYSA-N 2 1 317.437 1.682 10 0 DDAEMP C[N@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(O)cc1)CC[NH2+]CC2 ZINC000072425852 191160008 /nfs/dbraw/zinc/16/00/08/191160008.db2.gz ZBBWRXSAQPVJDB-INIZCTEOSA-N 2 1 317.433 1.125 10 0 DDAEMP c1ccc(NC[C@@H]2CC[N@H+](CCCN3CCOCC3)C2)nc1 ZINC000173778877 198250604 /nfs/dbraw/zinc/25/06/04/198250604.db2.gz SSHXSTZEMYPBJA-INIZCTEOSA-N 2 1 304.438 1.538 10 0 DDAEMP CCC[NH2+]C[C@@H](C)S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000088992614 192686206 /nfs/dbraw/zinc/68/62/06/192686206.db2.gz YOSCKEWTILWPHN-CYBMUJFWSA-N 2 1 305.488 1.120 10 0 DDAEMP Cc1nn(C)c(C[N@H+](C)CC2CC[NH2+]CC2)c1Br ZINC000094024480 193339953 /nfs/dbraw/zinc/33/99/53/193339953.db2.gz YHPWWZIQXFCSBF-UHFFFAOYSA-N 2 1 315.259 1.922 10 0 DDAEMP Cc1nn(C)c(C[N@@H+](C)CC2CC[NH2+]CC2)c1Br ZINC000094024480 193339954 /nfs/dbraw/zinc/33/99/54/193339954.db2.gz YHPWWZIQXFCSBF-UHFFFAOYSA-N 2 1 315.259 1.922 10 0 DDAEMP CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000043014499 183327818 /nfs/dbraw/zinc/32/78/18/183327818.db2.gz KHVCMLXJLBCQOD-HOTGVXAUSA-N 2 1 311.857 1.728 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105273048 194091181 /nfs/dbraw/zinc/09/11/81/194091181.db2.gz JYBOHUKVDKKNLP-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105273048 194091182 /nfs/dbraw/zinc/09/11/82/194091182.db2.gz JYBOHUKVDKKNLP-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105273048 194091183 /nfs/dbraw/zinc/09/11/83/194091183.db2.gz JYBOHUKVDKKNLP-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP Cc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1C1CC1 ZINC000105862737 194150661 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Fc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(CN3CCOCC3)C2)cc1 ZINC000503716990 257209560 /nfs/dbraw/zinc/20/95/60/257209560.db2.gz KRBZUNYZKHVZOA-SJLPKXTDSA-N 2 1 320.408 1.606 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048442 407723880 /nfs/dbraw/zinc/72/38/80/407723880.db2.gz ZIWQYBNBJRHJGG-GUDVDZBRSA-N 2 1 317.477 1.865 10 0 DDAEMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H](C)O)CC2)c1C ZINC000171632153 407727558 /nfs/dbraw/zinc/72/75/58/407727558.db2.gz MOKOAHVAWITYKC-CQSZACIVSA-N 2 1 321.465 1.984 10 0 DDAEMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1C ZINC000171632153 407727562 /nfs/dbraw/zinc/72/75/62/407727562.db2.gz MOKOAHVAWITYKC-CQSZACIVSA-N 2 1 321.465 1.984 10 0 DDAEMP CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000180621579 407903130 /nfs/dbraw/zinc/90/31/30/407903130.db2.gz DPDWPBQVLJJLKO-HOTGVXAUSA-N 2 1 306.454 1.803 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000263217336 408061785 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CC[N@@H+]1CCC[C@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000194149544 408768246 /nfs/dbraw/zinc/76/82/46/408768246.db2.gz JIBUPHYNCBFYQP-HNNXBMFYSA-N 2 1 319.453 1.976 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000194149544 408768252 /nfs/dbraw/zinc/76/82/52/408768252.db2.gz JIBUPHYNCBFYQP-HNNXBMFYSA-N 2 1 319.453 1.976 10 0 DDAEMP C[NH+](C)CC1(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCCC1 ZINC000185168098 408773732 /nfs/dbraw/zinc/77/37/32/408773732.db2.gz WSNZXINYKGDNOD-INIZCTEOSA-N 2 1 322.497 1.988 10 0 DDAEMP Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000261928152 163730333 /nfs/dbraw/zinc/73/03/33/163730333.db2.gz LJJCNUKOOMKYNJ-XHSDSOJGSA-N 2 1 304.438 1.549 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000176211440 279298325 /nfs/dbraw/zinc/29/83/25/279298325.db2.gz RGRRDDYNDDTPIO-JKSUJKDBSA-N 2 1 310.486 1.987 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719184334 699299085 /nfs/dbraw/zinc/29/90/85/699299085.db2.gz KVQLDJGVTAZKBC-CYBMUJFWSA-N 2 1 315.421 1.129 10 0 DDAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000116787412 282124667 /nfs/dbraw/zinc/12/46/67/282124667.db2.gz QBCQFWYEVOMQKG-HZPDHXFCSA-N 2 1 305.422 1.078 10 0 DDAEMP C[C@@]1(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000079517366 185173730 /nfs/dbraw/zinc/17/37/30/185173730.db2.gz STASFHQOGKVDAM-INIZCTEOSA-N 2 1 307.463 1.925 10 0 DDAEMP C[C@@]1(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CCC[NH2+]1 ZINC000079517366 185173731 /nfs/dbraw/zinc/17/37/31/185173731.db2.gz STASFHQOGKVDAM-INIZCTEOSA-N 2 1 307.463 1.925 10 0 DDAEMP [NH3+]C[C@@H]1c2cc(Cl)ccc2CN1CCC[NH+]1CCOCC1 ZINC000071683210 191007787 /nfs/dbraw/zinc/00/77/87/191007787.db2.gz WPFUQYUMIGMKTA-MRXNPFEDSA-N 2 1 309.841 1.878 10 0 DDAEMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000262365209 203274146 /nfs/dbraw/zinc/27/41/46/203274146.db2.gz KZSWSTQERCPLTM-QMCVQRASSA-N 2 1 301.434 1.936 10 0 DDAEMP CCC[N@@H+](Cc1cc(=O)n2ccsc2n1)CC(C)(C)C[NH3+] ZINC000093892019 193323628 /nfs/dbraw/zinc/32/36/28/193323628.db2.gz GNIDNCFKNJYRSH-UHFFFAOYSA-N 2 1 308.451 1.953 10 0 DDAEMP CC1CC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105127358 194076717 /nfs/dbraw/zinc/07/67/17/194076717.db2.gz BWLSBASASRFOBW-INIZCTEOSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)c2cccn2C)CC1 ZINC000106125750 194186888 /nfs/dbraw/zinc/18/68/88/194186888.db2.gz RGWWJAGQQPCQDU-AWEZNQCLSA-N 2 1 307.438 1.232 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)c2cccn2C)CC1 ZINC000106125750 194186890 /nfs/dbraw/zinc/18/68/90/194186890.db2.gz RGWWJAGQQPCQDU-AWEZNQCLSA-N 2 1 307.438 1.232 10 0 DDAEMP [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977978 184264329 /nfs/dbraw/zinc/26/43/29/184264329.db2.gz NENNTJJBLKQANX-HOTGVXAUSA-N 2 1 309.841 1.746 10 0 DDAEMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261698708 407583280 /nfs/dbraw/zinc/58/32/80/407583280.db2.gz BJNLXQFFJILGSJ-GOEBONIOSA-N 2 1 311.470 1.511 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261789837 407616545 /nfs/dbraw/zinc/61/65/45/407616545.db2.gz UWVKPZRXJSRODG-HYVNUMGLSA-N 2 1 301.434 1.623 10 0 DDAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000245461251 407990658 /nfs/dbraw/zinc/99/06/58/407990658.db2.gz MUPBGFBSQVCIJN-CVEARBPZSA-N 2 1 305.422 1.126 10 0 DDAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000245461251 407990663 /nfs/dbraw/zinc/99/06/63/407990663.db2.gz MUPBGFBSQVCIJN-CVEARBPZSA-N 2 1 305.422 1.126 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000174981961 408019985 /nfs/dbraw/zinc/01/99/85/408019985.db2.gz BIOUPKRZXZYHGE-JKSUJKDBSA-N 2 1 312.417 1.962 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246243978 408191006 /nfs/dbraw/zinc/19/10/06/408191006.db2.gz JBLUQWIYMOYUBB-JYJNAYRXSA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000246243978 408191012 /nfs/dbraw/zinc/19/10/12/408191012.db2.gz JBLUQWIYMOYUBB-JYJNAYRXSA-N 2 1 311.470 1.191 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccn3ccnc3c2)C1 ZINC000246309520 408217278 /nfs/dbraw/zinc/21/72/78/408217278.db2.gz DBNNKNLCQXUOTP-UKRRQHHQSA-N 2 1 315.421 1.862 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000246829669 408351130 /nfs/dbraw/zinc/35/11/30/408351130.db2.gz KXBGPMDXOZAWNH-LEOABGAYSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000246829669 408351135 /nfs/dbraw/zinc/35/11/35/408351135.db2.gz KXBGPMDXOZAWNH-LEOABGAYSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000246829669 408351138 /nfs/dbraw/zinc/35/11/38/408351138.db2.gz KXBGPMDXOZAWNH-LEOABGAYSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000246829669 408351143 /nfs/dbraw/zinc/35/11/43/408351143.db2.gz KXBGPMDXOZAWNH-LEOABGAYSA-N 2 1 311.470 1.161 10 0 DDAEMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167972174 162177470 /nfs/dbraw/zinc/17/74/70/162177470.db2.gz KPDRHAFTYZIDGC-SJORKVTESA-N 2 1 317.433 1.006 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000172240695 162265624 /nfs/dbraw/zinc/26/56/24/162265624.db2.gz FJZUZQXDZOOENQ-JKSUJKDBSA-N 2 1 308.470 1.741 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000248861904 408648565 /nfs/dbraw/zinc/64/85/65/408648565.db2.gz BEGKDAXUHLFSCB-QAPCUYQASA-N 2 1 312.498 1.952 10 0 DDAEMP CC(C)[NH+]1CCN(CCCN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000249212128 408704765 /nfs/dbraw/zinc/70/47/65/408704765.db2.gz DBWRQSAOTRMCFQ-SFHVURJKSA-N 2 1 308.514 1.573 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000249212128 408704771 /nfs/dbraw/zinc/70/47/71/408704771.db2.gz DBWRQSAOTRMCFQ-SFHVURJKSA-N 2 1 308.514 1.573 10 0 DDAEMP CC(C)N1CC[NH+](CCCN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000249212128 408704774 /nfs/dbraw/zinc/70/47/74/408704774.db2.gz DBWRQSAOTRMCFQ-SFHVURJKSA-N 2 1 308.514 1.573 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378905869 418726098 /nfs/dbraw/zinc/72/60/98/418726098.db2.gz LGKICUWFODWDIK-BZSNNMDCSA-N 2 1 315.461 2.000 10 0 DDAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648813 422533736 /nfs/dbraw/zinc/53/37/36/422533736.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@H]1CC[NH+](C)C1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648813 422533743 /nfs/dbraw/zinc/53/37/43/422533743.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@H]1CC[NH+](C)C1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648813 422533748 /nfs/dbraw/zinc/53/37/48/422533748.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 2 1 317.477 1.507 10 0 DDAEMP CCCn1c(C)nnc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179307897 263357835 /nfs/dbraw/zinc/35/78/35/263357835.db2.gz IZAHJZFHMBERAZ-AWEZNQCLSA-N 2 1 323.485 1.521 10 0 DDAEMP CCCn1c(C)nnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179307897 263357837 /nfs/dbraw/zinc/35/78/37/263357837.db2.gz IZAHJZFHMBERAZ-AWEZNQCLSA-N 2 1 323.485 1.521 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000263086853 280367990 /nfs/dbraw/zinc/36/79/90/280367990.db2.gz YBHRPMLNQVXXTJ-AIANPOQGSA-N 2 1 311.470 1.198 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000158157167 297096161 /nfs/dbraw/zinc/09/61/61/297096161.db2.gz DIECJDIZAONFQZ-QGFMHUBQSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000158157167 297096163 /nfs/dbraw/zinc/09/61/63/297096163.db2.gz DIECJDIZAONFQZ-QGFMHUBQSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000158157167 297096165 /nfs/dbraw/zinc/09/61/65/297096165.db2.gz DIECJDIZAONFQZ-QGFMHUBQSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000247470900 297098358 /nfs/dbraw/zinc/09/83/58/297098358.db2.gz RQMFXRXIPSKQQO-ZBFHGGJFSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261605935 698428890 /nfs/dbraw/zinc/42/88/90/698428890.db2.gz BAZVAZACMFKMSS-HYVNUMGLSA-N 2 1 301.434 1.575 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261874509 698442325 /nfs/dbraw/zinc/44/23/25/698442325.db2.gz DLSOIRMAXGJGQG-YLFCFFPRSA-N 2 1 308.397 1.606 10 0 DDAEMP C[C@@]12CN(C(=O)[C@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702113997 699228374 /nfs/dbraw/zinc/22/83/74/699228374.db2.gz QOBDGPYNMQLNEU-JENIJYKNSA-N 2 1 313.445 1.576 10 0 DDAEMP CCc1cc(NC2CC[NH+](C[C@H](O)COC)CC2)nc(C)[nH+]1 ZINC000302067277 529554307 /nfs/dbraw/zinc/55/43/07/529554307.db2.gz DAZZVWFQJJRFRO-HNNXBMFYSA-N 2 1 308.426 1.231 10 0 DDAEMP CC[C@H](C(N)=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250195 539263242 /nfs/dbraw/zinc/26/32/42/539263242.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 2 1 310.467 1.469 10 0 DDAEMP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195250195 539263243 /nfs/dbraw/zinc/26/32/43/539263243.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 2 1 310.467 1.469 10 0 DDAEMP CC[C@H](C(N)=O)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195250195 539263244 /nfs/dbraw/zinc/26/32/44/539263244.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 2 1 310.467 1.469 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000092634024 185330359 /nfs/dbraw/zinc/33/03/59/185330359.db2.gz FSPFKFZVMZBZEP-LLVKDONJSA-N 2 1 317.480 1.312 10 0 DDAEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000174235856 535265928 /nfs/dbraw/zinc/26/59/28/535265928.db2.gz RKBNNMDINPDIIV-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000174235856 535265932 /nfs/dbraw/zinc/26/59/32/535265932.db2.gz RKBNNMDINPDIIV-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000174235856 535265939 /nfs/dbraw/zinc/26/59/39/535265939.db2.gz RKBNNMDINPDIIV-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179244355 199003851 /nfs/dbraw/zinc/00/38/51/199003851.db2.gz ZROLFYYAKDRQRJ-MOPGFXCFSA-N 2 1 317.477 1.822 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000041681862 183217250 /nfs/dbraw/zinc/21/72/50/183217250.db2.gz MJPBAVAMEMVPKW-UHFFFAOYSA-N 2 1 319.496 1.606 10 0 DDAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000042945233 183319542 /nfs/dbraw/zinc/31/95/42/183319542.db2.gz AQHDRZRABOLWJN-JKSUJKDBSA-N 2 1 311.857 1.728 10 0 DDAEMP C[C@@H](C[NH2+]Cc1cccs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062974839 184263720 /nfs/dbraw/zinc/26/37/20/184263720.db2.gz IMXFCTDYHCCBHE-GJZGRUSLSA-N 2 1 309.479 1.633 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1CC ZINC000246258775 286086026 /nfs/dbraw/zinc/08/60/26/286086026.db2.gz KTXQGFSGZGEKFD-BZUAXINKSA-N 2 1 311.470 1.463 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)C[NH+]1CCCCC1 ZINC000113599592 407518426 /nfs/dbraw/zinc/51/84/26/407518426.db2.gz VPCXBJCJMKFGOH-IXDOHACOSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261789832 407617146 /nfs/dbraw/zinc/61/71/46/407617146.db2.gz UWVKPZRXJSRODG-DJIMGWMZSA-N 2 1 301.434 1.623 10 0 DDAEMP c1nc2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261867188 407646551 /nfs/dbraw/zinc/64/65/51/407646551.db2.gz CRYINBSHNUUMQC-BFYDXBDKSA-N 2 1 314.433 1.783 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000261866731 407648575 /nfs/dbraw/zinc/64/85/75/407648575.db2.gz WWHWYQOZSZBKAJ-OAHLLOKOSA-N 2 1 321.469 1.699 10 0 DDAEMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)O2 ZINC000261892796 407657389 /nfs/dbraw/zinc/65/73/89/407657389.db2.gz GRDPTHLFOCAQPO-YYIAUSFCSA-N 2 1 302.418 1.737 10 0 DDAEMP COC[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000262202293 407763685 /nfs/dbraw/zinc/76/36/85/407763685.db2.gz DDBHHFKIKCNAOG-KRWDZBQOSA-N 2 1 319.449 1.331 10 0 DDAEMP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000262359859 407812206 /nfs/dbraw/zinc/81/22/06/407812206.db2.gz WGIOIKLJSVUCIZ-ZBFHGGJFSA-N 2 1 301.434 1.757 10 0 DDAEMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000174354702 407938497 /nfs/dbraw/zinc/93/84/97/407938497.db2.gz XNYKLWSOTRKZMS-MRXNPFEDSA-N 2 1 310.486 1.985 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000263270603 408085095 /nfs/dbraw/zinc/08/50/95/408085095.db2.gz SCBCGPAJHMFXEK-DOTOQJQBSA-N 2 1 313.401 1.331 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000263304783 408097972 /nfs/dbraw/zinc/09/79/72/408097972.db2.gz XPUWNRDMUFOSQD-HKUYNNGSSA-N 2 1 312.413 1.936 10 0 DDAEMP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263204801 408055659 /nfs/dbraw/zinc/05/56/59/408055659.db2.gz JPNQMHJPRPFUPB-YPMHNXCESA-N 2 1 314.813 1.417 10 0 DDAEMP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000246161009 408160199 /nfs/dbraw/zinc/16/01/99/408160199.db2.gz AHPRSIVDDSXEHT-FRFSOERESA-N 2 1 301.434 1.677 10 0 DDAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246402480 408243993 /nfs/dbraw/zinc/24/39/93/408243993.db2.gz JYBOHUKVDKKNLP-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246402480 408243999 /nfs/dbraw/zinc/24/39/99/408243999.db2.gz JYBOHUKVDKKNLP-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246402480 408244005 /nfs/dbraw/zinc/24/40/05/408244005.db2.gz JYBOHUKVDKKNLP-IRXDYDNUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000175940601 408246102 /nfs/dbraw/zinc/24/61/02/408246102.db2.gz NTAPCTXTNUDWPA-MRXNPFEDSA-N 2 1 322.428 1.603 10 0 DDAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2ccccc2)CCN1C ZINC000175763134 408198241 /nfs/dbraw/zinc/19/82/41/408198241.db2.gz GHYNOPJBSUCGNN-NJAFHUGGSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccccc2)CC[N@@H+]1C ZINC000175763134 408198246 /nfs/dbraw/zinc/19/82/46/408198246.db2.gz GHYNOPJBSUCGNN-NJAFHUGGSA-N 2 1 306.450 1.979 10 0 DDAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2ccccc2)CC[NH+]1C ZINC000175763134 408198264 /nfs/dbraw/zinc/19/82/64/408198264.db2.gz GHYNOPJBSUCGNN-NJAFHUGGSA-N 2 1 306.450 1.979 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246365427 408234753 /nfs/dbraw/zinc/23/47/53/408234753.db2.gz IRUMTGAOGQMCJF-BBWFWOEESA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000246365427 408234758 /nfs/dbraw/zinc/23/47/58/408234758.db2.gz IRUMTGAOGQMCJF-BBWFWOEESA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000246365427 408234766 /nfs/dbraw/zinc/23/47/66/408234766.db2.gz IRUMTGAOGQMCJF-BBWFWOEESA-N 2 1 322.497 1.842 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC(C)C ZINC000246865000 408356337 /nfs/dbraw/zinc/35/63/37/408356337.db2.gz CULJRQBVAWIKPM-OCCSQVGLSA-N 2 1 321.425 1.279 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC(C)C ZINC000246865000 408356341 /nfs/dbraw/zinc/35/63/41/408356341.db2.gz CULJRQBVAWIKPM-OCCSQVGLSA-N 2 1 321.425 1.279 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247657867 408500978 /nfs/dbraw/zinc/50/09/78/408500978.db2.gz YWWDHGFSRXIIEV-CVEARBPZSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247657867 408500986 /nfs/dbraw/zinc/50/09/86/408500986.db2.gz YWWDHGFSRXIIEV-CVEARBPZSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247657867 408500991 /nfs/dbraw/zinc/50/09/91/408500991.db2.gz YWWDHGFSRXIIEV-CVEARBPZSA-N 2 1 322.497 1.987 10 0 DDAEMP Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178327592 408804562 /nfs/dbraw/zinc/80/45/62/408804562.db2.gz BBVJAGQZCPFCCR-CYBMUJFWSA-N 2 1 303.366 1.591 10 0 DDAEMP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261890244 163722309 /nfs/dbraw/zinc/72/23/09/163722309.db2.gz GJHDKTYXDKNIHT-BBWFWOEESA-N 2 1 317.433 1.163 10 0 DDAEMP C[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844419 421882998 /nfs/dbraw/zinc/88/29/98/421882998.db2.gz XFDJWHZNVCRWEY-OLZOCXBDSA-N 2 1 301.390 1.199 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245575 424619321 /nfs/dbraw/zinc/61/93/21/424619321.db2.gz SJDZTTOYUUNZHI-KBAYOESNSA-N 2 1 315.461 1.965 10 0 DDAEMP CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261839809 281743087 /nfs/dbraw/zinc/74/30/87/281743087.db2.gz AIEDLYKKOOCDGE-GVDBMIGSSA-N 2 1 323.481 1.524 10 0 DDAEMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000496104089 302525720 /nfs/dbraw/zinc/52/57/20/302525720.db2.gz JMSJMZWREYORCR-ZBFHGGJFSA-N 2 1 317.433 1.985 10 0 DDAEMP Cc1ccc2[nH+]ccc(NC[C@H](O)C[NH+]3CCOCC3)c2c1 ZINC000302153257 534523622 /nfs/dbraw/zinc/52/36/22/534523622.db2.gz LMNUCGAVNCWVPO-AWEZNQCLSA-N 2 1 301.390 1.648 10 0 DDAEMP COC[C@@]1(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551140 698427703 /nfs/dbraw/zinc/42/77/03/698427703.db2.gz QESUCFUKCULGQS-CRAIPNDOSA-N 2 1 319.449 1.249 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000262008564 698450370 /nfs/dbraw/zinc/45/03/70/698450370.db2.gz VGYXHUNYGRCYQO-UYTYNIKBSA-N 2 1 309.498 1.996 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000262008564 698450373 /nfs/dbraw/zinc/45/03/73/698450373.db2.gz VGYXHUNYGRCYQO-UYTYNIKBSA-N 2 1 309.498 1.996 10 0 DDAEMP C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000088542771 185256121 /nfs/dbraw/zinc/25/61/21/185256121.db2.gz GJRLSXQAVGKWHF-LBPRGKRZSA-N 2 1 315.439 1.008 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000092629802 185330464 /nfs/dbraw/zinc/33/04/64/185330464.db2.gz KUOGODJEKVZAGG-YPMHNXCESA-N 2 1 307.360 1.471 10 0 DDAEMP CN(C)c1cccc2c1CN(CCC[NH+]1CCOCC1)[C@H]2C[NH3+] ZINC000071683410 191007235 /nfs/dbraw/zinc/00/72/35/191007235.db2.gz AAAKRMWIEMJAEX-SFHVURJKSA-N 2 1 318.465 1.290 10 0 DDAEMP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(S(=O)(=O)CC(C)C)CC1 ZINC000080185667 192009922 /nfs/dbraw/zinc/00/99/22/192009922.db2.gz JIADJJKBHDVNLT-AWEZNQCLSA-N 2 1 305.488 1.107 10 0 DDAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCN(S(=O)(=O)CC(C)C)CC1 ZINC000080185667 192009925 /nfs/dbraw/zinc/00/99/25/192009925.db2.gz JIADJJKBHDVNLT-AWEZNQCLSA-N 2 1 305.488 1.107 10 0 DDAEMP Clc1ccc2c(c1)C[C@@H](C[NH+]1CC(N3CC[NH2+]CC3)C1)O2 ZINC000090900350 192943155 /nfs/dbraw/zinc/94/31/55/192943155.db2.gz PBDGBJXEBBSGID-HNNXBMFYSA-N 2 1 307.825 1.233 10 0 DDAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334291 193360015 /nfs/dbraw/zinc/36/00/15/193360015.db2.gz BDABFSCKWLLPIO-JTQLQIEISA-N 2 1 302.344 1.947 10 0 DDAEMP CC[N@H+]([C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638817 193388259 /nfs/dbraw/zinc/38/82/59/193388259.db2.gz XXEGFIGGWQOQQV-APIJFGDWSA-N 2 1 302.484 1.792 10 0 DDAEMP CC[N@@H+]([C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638817 193388260 /nfs/dbraw/zinc/38/82/60/193388260.db2.gz XXEGFIGGWQOQQV-APIJFGDWSA-N 2 1 302.484 1.792 10 0 DDAEMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000094445765 193371024 /nfs/dbraw/zinc/37/10/24/193371024.db2.gz KYFRLEXGSMZNFE-DZGCQCFKSA-N 2 1 315.483 1.017 10 0 DDAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000094445765 193371026 /nfs/dbraw/zinc/37/10/26/193371026.db2.gz KYFRLEXGSMZNFE-DZGCQCFKSA-N 2 1 315.483 1.017 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000105862535 194150165 /nfs/dbraw/zinc/15/01/65/194150165.db2.gz GVJGHACRHHUJNJ-ZDUSSCGKSA-N 2 1 324.469 1.892 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(C(C)(C)C)no2)CC1 ZINC000105862535 194150167 /nfs/dbraw/zinc/15/01/67/194150167.db2.gz GVJGHACRHHUJNJ-ZDUSSCGKSA-N 2 1 324.469 1.892 10 0 DDAEMP CC[NH+](CC)CCOCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000062272099 184227237 /nfs/dbraw/zinc/22/72/37/184227237.db2.gz GCYPRFWTKYYETC-KRWDZBQOSA-N 2 1 321.465 1.764 10 0 DDAEMP CCC[C@@]1(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062912200 184259420 /nfs/dbraw/zinc/25/94/20/184259420.db2.gz UPXFMKOKWGZDCW-MRXNPFEDSA-N 2 1 310.463 1.960 10 0 DDAEMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261847021 407642129 /nfs/dbraw/zinc/64/21/29/407642129.db2.gz AYDJPGKHTRTFOL-RCCFBDPRSA-N 2 1 303.450 1.999 10 0 DDAEMP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000261981440 407701036 /nfs/dbraw/zinc/70/10/36/407701036.db2.gz RSPASCIJLBIKCG-ZJIFWQFVSA-N 2 1 304.438 1.507 10 0 DDAEMP CCCn1cc(CN2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023683 407715099 /nfs/dbraw/zinc/71/50/99/407715099.db2.gz NJQCSDLEKHITIR-SFHVURJKSA-N 2 1 319.497 1.800 10 0 DDAEMP CCCn1cc(C[N@@H+]2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023683 407715102 /nfs/dbraw/zinc/71/51/02/407715102.db2.gz NJQCSDLEKHITIR-SFHVURJKSA-N 2 1 319.497 1.800 10 0 DDAEMP CCCn1cc(C[N@H+]2CCCN(C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023683 407715105 /nfs/dbraw/zinc/71/51/05/407715105.db2.gz NJQCSDLEKHITIR-SFHVURJKSA-N 2 1 319.497 1.800 10 0 DDAEMP CCO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218101 407766991 /nfs/dbraw/zinc/76/69/91/407766991.db2.gz UHXSDXUAJBRLOV-JKSUJKDBSA-N 2 1 323.481 1.478 10 0 DDAEMP C[NH2+]CCc1ccccc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000262359857 407811950 /nfs/dbraw/zinc/81/19/50/407811950.db2.gz WGIOIKLJSVUCIZ-GOEBONIOSA-N 2 1 301.434 1.757 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C[C@H]12 ZINC000262566273 407867796 /nfs/dbraw/zinc/86/77/96/407867796.db2.gz WRTPLEZZHWVRLB-DMRKSPOLSA-N 2 1 305.466 1.837 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C[C@H]12 ZINC000262566273 407867801 /nfs/dbraw/zinc/86/78/01/407867801.db2.gz WRTPLEZZHWVRLB-DMRKSPOLSA-N 2 1 305.466 1.837 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000263186075 408051329 /nfs/dbraw/zinc/05/13/29/408051329.db2.gz HJIYPVAOSVNOCY-YPMHNXCESA-N 2 1 312.797 1.171 10 0 DDAEMP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245481971 407996717 /nfs/dbraw/zinc/99/67/17/407996717.db2.gz YYSQJMQUAOKLTN-LSDHHAIUSA-N 2 1 313.486 1.266 10 0 DDAEMP Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)s2)cc1 ZINC000263302763 408099337 /nfs/dbraw/zinc/09/93/37/408099337.db2.gz XGYLTMDHLWBKTP-UKRRQHHQSA-N 2 1 303.431 1.788 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)sc1Br ZINC000263311346 408101664 /nfs/dbraw/zinc/10/16/64/408101664.db2.gz YSGCFIVAPDCWRP-WPRPVWTQSA-N 2 1 305.241 1.489 10 0 DDAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151100284 408256296 /nfs/dbraw/zinc/25/62/96/408256296.db2.gz MZLLQZPXFAASTC-HUUCEWRRSA-N 2 1 307.438 1.991 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2CC)C1 ZINC000246476814 408267168 /nfs/dbraw/zinc/26/71/68/408267168.db2.gz VOYZMEJATMSQQK-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)C1 ZINC000246476814 408267174 /nfs/dbraw/zinc/26/71/74/408267174.db2.gz VOYZMEJATMSQQK-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)C1 ZINC000246476814 408267179 /nfs/dbraw/zinc/26/71/79/408267179.db2.gz VOYZMEJATMSQQK-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[NH+](C)C ZINC000162048818 408666930 /nfs/dbraw/zinc/66/69/30/408666930.db2.gz IMORNOWGHNUSBY-DLBZAZTESA-N 2 1 324.513 1.345 10 0 DDAEMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195336361 163318780 /nfs/dbraw/zinc/31/87/80/163318780.db2.gz WHQNPTQXXZIUMO-MSOLQXFVSA-N 2 1 313.445 1.958 10 0 DDAEMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195336361 163318783 /nfs/dbraw/zinc/31/87/83/163318783.db2.gz WHQNPTQXXZIUMO-MSOLQXFVSA-N 2 1 313.445 1.958 10 0 DDAEMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195336361 163318786 /nfs/dbraw/zinc/31/87/86/163318786.db2.gz WHQNPTQXXZIUMO-MSOLQXFVSA-N 2 1 313.445 1.958 10 0 DDAEMP Cc1ccc2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cc(=O)n2c1 ZINC000262552040 163847942 /nfs/dbraw/zinc/84/79/42/163847942.db2.gz SPKYXDZPGVSLQK-HNNXBMFYSA-N 2 1 300.406 1.577 10 0 DDAEMP Cc1ccc2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc(=O)n2c1 ZINC000262552040 163847943 /nfs/dbraw/zinc/84/79/43/163847943.db2.gz SPKYXDZPGVSLQK-HNNXBMFYSA-N 2 1 300.406 1.577 10 0 DDAEMP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000323762718 409923598 /nfs/dbraw/zinc/92/35/98/409923598.db2.gz WHDLPVZLJBWWAW-IAGOWNOFSA-N 2 1 317.433 1.098 10 0 DDAEMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000129139905 196022840 /nfs/dbraw/zinc/02/28/40/196022840.db2.gz BHEDEMGVXWCZDY-HNNXBMFYSA-N 2 1 319.453 1.478 10 0 DDAEMP Cn1cc[nH+]c1CC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000129139905 196022841 /nfs/dbraw/zinc/02/28/41/196022841.db2.gz BHEDEMGVXWCZDY-HNNXBMFYSA-N 2 1 319.453 1.478 10 0 DDAEMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000380929768 418728128 /nfs/dbraw/zinc/72/81/28/418728128.db2.gz FNMAZMZCSOODDY-IRXDYDNUSA-N 2 1 301.434 1.624 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638834987 423149782 /nfs/dbraw/zinc/14/97/82/423149782.db2.gz JPVJVGVJMRFVEM-BSWAZPDLSA-N 2 1 319.424 1.571 10 0 DDAEMP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000649347140 423780428 /nfs/dbraw/zinc/78/04/28/423780428.db2.gz GUYSLFPKCFVPES-NVXWUHKLSA-N 2 1 319.449 1.249 10 0 DDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106910261 276167286 /nfs/dbraw/zinc/16/72/86/276167286.db2.gz REVZNDOJNAWPMA-IAGOWNOFSA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106910261 276167287 /nfs/dbraw/zinc/16/72/87/276167287.db2.gz REVZNDOJNAWPMA-IAGOWNOFSA-N 2 1 303.450 1.760 10 0 DDAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261966073 277887044 /nfs/dbraw/zinc/88/70/44/277887044.db2.gz QATUTTOYKLPLQV-RCCFBDPRSA-N 2 1 304.434 1.984 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000261544496 278240986 /nfs/dbraw/zinc/24/09/86/278240986.db2.gz IWKABGIOVDXCNP-GOEBONIOSA-N 2 1 321.490 1.718 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000130780007 281394175 /nfs/dbraw/zinc/39/41/75/281394175.db2.gz AMLDLGOPODYCMN-CVEARBPZSA-N 2 1 310.486 1.700 10 0 DDAEMP Cc1csc2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cc(=O)n12 ZINC000231670295 697787009 /nfs/dbraw/zinc/78/70/09/697787009.db2.gz FEUIFMKTKKAKJY-CYBMUJFWSA-N 2 1 306.435 1.638 10 0 DDAEMP Cc1csc2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc(=O)n12 ZINC000231670295 697787010 /nfs/dbraw/zinc/78/70/10/697787010.db2.gz FEUIFMKTKKAKJY-CYBMUJFWSA-N 2 1 306.435 1.638 10 0 DDAEMP C[NH2+][C@H](C)CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000261707609 698433647 /nfs/dbraw/zinc/43/36/47/698433647.db2.gz JQRNILGOCGJBLO-KFWWJZLASA-N 2 1 319.449 1.634 10 0 DDAEMP C[NH2+][C@H](C)CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000261707609 698433649 /nfs/dbraw/zinc/43/36/49/698433649.db2.gz JQRNILGOCGJBLO-KFWWJZLASA-N 2 1 319.449 1.634 10 0 DDAEMP CC[C@H](CC[NH3+])[N@@H+]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832356 185266620 /nfs/dbraw/zinc/26/66/20/185266620.db2.gz YPNDJJZDQYCFMK-GFCCVEGCSA-N 2 1 309.376 1.991 10 0 DDAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832356 185266621 /nfs/dbraw/zinc/26/66/21/185266621.db2.gz YPNDJJZDQYCFMK-GFCCVEGCSA-N 2 1 309.376 1.991 10 0 DDAEMP CC(C)[NH2+]C[C@H](C)S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000088992584 192686536 /nfs/dbraw/zinc/68/65/36/192686536.db2.gz WQIJTDRZHPXSBT-ZDUSSCGKSA-N 2 1 305.488 1.119 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000091512079 193067493 /nfs/dbraw/zinc/06/74/93/193067493.db2.gz POZQJOWPFXHLRZ-DLBZAZTESA-N 2 1 318.465 1.845 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)CN3CCOCC3)C2)[nH+]1 ZINC000091512079 193067495 /nfs/dbraw/zinc/06/74/95/193067495.db2.gz POZQJOWPFXHLRZ-DLBZAZTESA-N 2 1 318.465 1.845 10 0 DDAEMP C[N@H+](CCS(C)(=O)=O)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000094301974 193358417 /nfs/dbraw/zinc/35/84/17/193358417.db2.gz SAWPCYFCJPGOOW-UHFFFAOYSA-N 2 1 310.463 1.284 10 0 DDAEMP C[N@@H+](CCS(C)(=O)=O)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000094301974 193358419 /nfs/dbraw/zinc/35/84/19/193358419.db2.gz SAWPCYFCJPGOOW-UHFFFAOYSA-N 2 1 310.463 1.284 10 0 DDAEMP COCCC[N@@H+](CCOC)C[C@@H]1[C@@H]([NH3+])C(C)(C)OC1(C)C ZINC000094428511 193368246 /nfs/dbraw/zinc/36/82/46/193368246.db2.gz KKYMRVPNCXGKFU-ZIAGYGMSSA-N 2 1 302.459 1.502 10 0 DDAEMP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(Br)s2)CC1 ZINC000019276451 182112189 /nfs/dbraw/zinc/11/21/89/182112189.db2.gz GLGJPNSLQQKFDV-VIFPVBQESA-N 2 1 304.257 1.758 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105215448 194085251 /nfs/dbraw/zinc/08/52/51/194085251.db2.gz KAAJNIUHEBVMPQ-QGZVFWFLSA-N 2 1 322.497 1.988 10 0 DDAEMP CCCc1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000105862518 194150023 /nfs/dbraw/zinc/15/00/23/194150023.db2.gz NNOPSERPMCITAX-ZDUSSCGKSA-N 2 1 310.442 1.547 10 0 DDAEMP CCCc1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000105862518 194150025 /nfs/dbraw/zinc/15/00/25/194150025.db2.gz NNOPSERPMCITAX-ZDUSSCGKSA-N 2 1 310.442 1.547 10 0 DDAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145391 194395470 /nfs/dbraw/zinc/39/54/70/194395470.db2.gz LWJROJBLQOGLOP-MRXNPFEDSA-N 2 1 301.475 1.883 10 0 DDAEMP Cc1cccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)C[C@@H]3C2)n1 ZINC000248003298 257111905 /nfs/dbraw/zinc/11/19/05/257111905.db2.gz OEEVFVJFMQCYBN-DLBZAZTESA-N 2 1 302.466 1.705 10 0 DDAEMP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261871958 407651727 /nfs/dbraw/zinc/65/17/27/407651727.db2.gz DHBHOZPJNWLJIW-GVDBMIGSSA-N 2 1 308.397 1.951 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722120 407593748 /nfs/dbraw/zinc/59/37/48/407593748.db2.gz GAFUVXKFAFCRCH-RHSMWYFYSA-N 2 1 321.469 1.699 10 0 DDAEMP CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722120 407593753 /nfs/dbraw/zinc/59/37/53/407593753.db2.gz GAFUVXKFAFCRCH-RHSMWYFYSA-N 2 1 321.469 1.699 10 0 DDAEMP O=C(CC[N@H+]1CCCC[C@@H]1c1nccs1)N1CC[NH2+]CC1 ZINC000262038269 407720448 /nfs/dbraw/zinc/72/04/48/407720448.db2.gz HLSZAOPWSIKWGA-CYBMUJFWSA-N 2 1 308.451 1.492 10 0 DDAEMP c1cc2c(c(CN[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905781 407662245 /nfs/dbraw/zinc/66/22/45/407662245.db2.gz IETXIHWDEGIWTP-RBSFLKMASA-N 2 1 304.390 1.662 10 0 DDAEMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)c1)OCO2 ZINC000261905781 407662257 /nfs/dbraw/zinc/66/22/57/407662257.db2.gz IETXIHWDEGIWTP-RBSFLKMASA-N 2 1 304.390 1.662 10 0 DDAEMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1CCO ZINC000187686055 407879713 /nfs/dbraw/zinc/87/97/13/407879713.db2.gz IUEBIYRHGXPBOL-OAHLLOKOSA-N 2 1 309.429 1.256 10 0 DDAEMP C[C@@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000187686055 407879717 /nfs/dbraw/zinc/87/97/17/407879717.db2.gz IUEBIYRHGXPBOL-OAHLLOKOSA-N 2 1 309.429 1.256 10 0 DDAEMP C[C@@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000187686055 407879720 /nfs/dbraw/zinc/87/97/20/407879720.db2.gz IUEBIYRHGXPBOL-OAHLLOKOSA-N 2 1 309.429 1.256 10 0 DDAEMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263203970 408057000 /nfs/dbraw/zinc/05/70/00/408057000.db2.gz JLLFCIAMRNGYDT-SJORKVTESA-N 2 1 313.401 1.427 10 0 DDAEMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1C[C@H](C)O ZINC000246049963 408128074 /nfs/dbraw/zinc/12/80/74/408128074.db2.gz CVHGYFOFKZHNIE-HOCLYGCPSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[C@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1C[C@H](C)O ZINC000246049963 408128082 /nfs/dbraw/zinc/12/80/82/408128082.db2.gz CVHGYFOFKZHNIE-HOCLYGCPSA-N 2 1 321.465 1.984 10 0 DDAEMP CSCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171631012 162231681 /nfs/dbraw/zinc/23/16/81/162231681.db2.gz LQUSLALWRVZYKX-OAHLLOKOSA-N 2 1 301.500 1.076 10 0 DDAEMP C[C@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000171867214 162244498 /nfs/dbraw/zinc/24/44/98/162244498.db2.gz FWVXOOLNNODDAY-CRAIPNDOSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H](C(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000171867214 162244501 /nfs/dbraw/zinc/24/45/01/162244501.db2.gz FWVXOOLNNODDAY-CRAIPNDOSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000171867214 162244503 /nfs/dbraw/zinc/24/45/03/162244503.db2.gz FWVXOOLNNODDAY-CRAIPNDOSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000171867214 162244507 /nfs/dbraw/zinc/24/45/07/162244507.db2.gz FWVXOOLNNODDAY-CRAIPNDOSA-N 2 1 313.445 1.740 10 0 DDAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171901103 162246105 /nfs/dbraw/zinc/24/61/05/162246105.db2.gz OGSRFKMXGVCTGA-DLBZAZTESA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171901103 162246109 /nfs/dbraw/zinc/24/61/09/162246109.db2.gz OGSRFKMXGVCTGA-DLBZAZTESA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171901103 162246112 /nfs/dbraw/zinc/24/61/12/162246112.db2.gz OGSRFKMXGVCTGA-DLBZAZTESA-N 2 1 322.497 1.988 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247092906 408406777 /nfs/dbraw/zinc/40/67/77/408406777.db2.gz IEGYMPRGROUZGC-OAGGEKHMSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247181525 408424823 /nfs/dbraw/zinc/42/48/23/408424823.db2.gz KZIBRKBEVWTDQX-QZWWFDLISA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247181525 408424830 /nfs/dbraw/zinc/42/48/30/408424830.db2.gz KZIBRKBEVWTDQX-QZWWFDLISA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247181525 408424837 /nfs/dbraw/zinc/42/48/37/408424837.db2.gz KZIBRKBEVWTDQX-QZWWFDLISA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000184235481 408576005 /nfs/dbraw/zinc/57/60/05/408576005.db2.gz SEOQQRNGDLIHAX-HUUCEWRRSA-N 2 1 311.470 1.199 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000248650647 408609279 /nfs/dbraw/zinc/60/92/79/408609279.db2.gz SEOQQRNGDLIHAX-CABCVRRESA-N 2 1 311.470 1.199 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000263086860 280367770 /nfs/dbraw/zinc/36/77/70/280367770.db2.gz YBHRPMLNQVXXTJ-PNBKFKSVSA-N 2 1 311.470 1.198 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176580224 288302672 /nfs/dbraw/zinc/30/26/72/288302672.db2.gz KXSRRURSXOGFEG-LVQVYYBASA-N 2 1 308.470 1.737 10 0 DDAEMP [NH3+]C1CCC([NH2+]CCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000390613261 307293822 /nfs/dbraw/zinc/29/38/22/307293822.db2.gz XJZADOZRPFTWJI-UHFFFAOYSA-N 2 1 316.493 1.664 10 0 DDAEMP C[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000261670862 698431795 /nfs/dbraw/zinc/43/17/95/698431795.db2.gz BVYKZSUJKSRFJR-CQSZACIVSA-N 2 1 317.433 1.057 10 0 DDAEMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261828952 698440180 /nfs/dbraw/zinc/44/01/80/698440180.db2.gz SSTKYRRQPZINCN-IMJJTQAJSA-N 2 1 303.450 1.964 10 0 DDAEMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261828952 698440183 /nfs/dbraw/zinc/44/01/83/698440183.db2.gz SSTKYRRQPZINCN-IMJJTQAJSA-N 2 1 303.450 1.964 10 0 DDAEMP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)ccc1Br ZINC000321251367 698726536 /nfs/dbraw/zinc/72/65/36/698726536.db2.gz ZNNNNFLFNRNDEI-UHFFFAOYSA-N 2 1 313.243 1.988 10 0 DDAEMP C[C@@]12CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702121401 699228692 /nfs/dbraw/zinc/22/86/92/699228692.db2.gz QOBDGPYNMQLNEU-ZIFCJYIRSA-N 2 1 313.445 1.576 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249763246 282194590 /nfs/dbraw/zinc/19/45/90/282194590.db2.gz MRVQRUSFOIMHSP-OAGGEKHMSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249763246 282194591 /nfs/dbraw/zinc/19/45/91/282194591.db2.gz MRVQRUSFOIMHSP-OAGGEKHMSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249763246 282194593 /nfs/dbraw/zinc/19/45/93/282194593.db2.gz MRVQRUSFOIMHSP-OAGGEKHMSA-N 2 1 310.486 1.890 10 0 DDAEMP Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1C[NH3+] ZINC000092679045 185333344 /nfs/dbraw/zinc/33/33/44/185333344.db2.gz VHDDXYCXJQFYFU-AWEZNQCLSA-N 2 1 311.451 1.168 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000092626709 185329898 /nfs/dbraw/zinc/32/98/98/185329898.db2.gz MNAHUGQIBWESKU-AWEZNQCLSA-N 2 1 311.451 1.250 10 0 DDAEMP C[N@@H+]1CC[C@@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000093382695 193241074 /nfs/dbraw/zinc/24/10/74/193241074.db2.gz MXMBEZOYRARQNQ-CYBMUJFWSA-N 2 1 309.211 1.868 10 0 DDAEMP C[N@H+]1CC[C@@]2(C[NH+]=C(N)N2c2ccccc2Br)C1 ZINC000093382695 193241076 /nfs/dbraw/zinc/24/10/76/193241076.db2.gz MXMBEZOYRARQNQ-CYBMUJFWSA-N 2 1 309.211 1.868 10 0 DDAEMP C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634653 193386342 /nfs/dbraw/zinc/38/63/42/193386342.db2.gz RPVYAJPNJGXPKZ-HOTGVXAUSA-N 2 1 310.463 1.933 10 0 DDAEMP C[NH2+]Cc1c(N2CC[N@H+]3CCCC[C@@H]3C2)nc2sccn12 ZINC000094439979 193369763 /nfs/dbraw/zinc/36/97/63/193369763.db2.gz ANWMCBHNQQCEIX-GFCCVEGCSA-N 2 1 305.451 1.790 10 0 DDAEMP CCN[C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145534 194395675 /nfs/dbraw/zinc/39/56/75/194395675.db2.gz XPGVYWTXNDRCOR-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cnn(C)c1C)[NH2+][C@]2(CO)CC(C)C ZINC000065460072 184348546 /nfs/dbraw/zinc/34/85/46/184348546.db2.gz ZULAXKMLXVOHCP-XDNAFOTISA-N 2 1 320.481 1.718 10 0 DDAEMP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cnn(C)c1C)[NH2+][C@]2(CO)CC(C)C ZINC000065460072 184348548 /nfs/dbraw/zinc/34/85/48/184348548.db2.gz ZULAXKMLXVOHCP-XDNAFOTISA-N 2 1 320.481 1.718 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638301546 422813403 /nfs/dbraw/zinc/81/34/03/422813403.db2.gz KWGTXAGBPDENKI-ZDUSSCGKSA-N 2 1 313.405 1.186 10 0 DDAEMP CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000261929399 407674842 /nfs/dbraw/zinc/67/48/42/407674842.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CCC[NH2+]C3)CCCN2C)cn1 ZINC000261929399 407674847 /nfs/dbraw/zinc/67/48/47/407674847.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)CCCN2C)cn1 ZINC000261929399 407674857 /nfs/dbraw/zinc/67/48/57/407674857.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 2 1 319.497 1.734 10 0 DDAEMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1=O ZINC000262027729 407716820 /nfs/dbraw/zinc/71/68/20/407716820.db2.gz XFWHUTMZJRBYKO-BARDWOONSA-N 2 1 309.454 1.133 10 0 DDAEMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171900918 407790823 /nfs/dbraw/zinc/79/08/23/407790823.db2.gz QQQPQLLHQWAGPY-BRWVUGGUSA-N 2 1 322.497 1.844 10 0 DDAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117477561 407837716 /nfs/dbraw/zinc/83/77/16/407837716.db2.gz RTZSRKGTHCREIE-HUUCEWRRSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117477561 407837719 /nfs/dbraw/zinc/83/77/19/407837719.db2.gz RTZSRKGTHCREIE-HUUCEWRRSA-N 2 1 314.474 1.079 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262489590 407848836 /nfs/dbraw/zinc/84/88/36/407848836.db2.gz KVIIBQMUNOYFAW-YESZJQIVSA-N 2 1 301.434 1.623 10 0 DDAEMP Cc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262489590 407848842 /nfs/dbraw/zinc/84/88/42/407848842.db2.gz KVIIBQMUNOYFAW-YESZJQIVSA-N 2 1 301.434 1.623 10 0 DDAEMP CN(CC[N@@H+](C)C[C@H](O)COC(C)(C)C)C1CC[NH+](C)CC1 ZINC000180961573 407940398 /nfs/dbraw/zinc/94/03/98/407940398.db2.gz MOFZBCGLKPDYLE-INIZCTEOSA-N 2 1 315.502 1.120 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000263297849 408095061 /nfs/dbraw/zinc/09/50/61/408095061.db2.gz WQHTYKRNJJTROK-CMPLNLGQSA-N 2 1 322.302 1.437 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175330468 408105874 /nfs/dbraw/zinc/10/58/74/408105874.db2.gz CWYBYUVRMLGPDG-KRWDZBQOSA-N 2 1 324.513 1.392 10 0 DDAEMP CC[NH+](CC)CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175488997 408142548 /nfs/dbraw/zinc/14/25/48/408142548.db2.gz KRMUYYKCENRFGF-HNNXBMFYSA-N 2 1 307.442 1.707 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246292507 408209058 /nfs/dbraw/zinc/20/90/58/408209058.db2.gz KXZAMPPZNWOAMI-XHSDSOJGSA-N 2 1 312.502 1.944 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246365442 408234096 /nfs/dbraw/zinc/23/40/96/408234096.db2.gz IRUMTGAOGQMCJF-BRWVUGGUSA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000246365442 408234103 /nfs/dbraw/zinc/23/41/03/408234103.db2.gz IRUMTGAOGQMCJF-BRWVUGGUSA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000246365442 408234110 /nfs/dbraw/zinc/23/41/10/408234110.db2.gz IRUMTGAOGQMCJF-BRWVUGGUSA-N 2 1 322.497 1.842 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246542826 408287056 /nfs/dbraw/zinc/28/70/56/408287056.db2.gz KNXPUBKNWQNANF-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246542826 408287060 /nfs/dbraw/zinc/28/70/60/408287060.db2.gz KNXPUBKNWQNANF-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246542826 408287068 /nfs/dbraw/zinc/28/70/68/408287068.db2.gz KNXPUBKNWQNANF-ZACQAIPSSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000088 408384845 /nfs/dbraw/zinc/38/48/45/408384845.db2.gz FMGQUNJMRLSISA-CVEARBPZSA-N 2 1 309.454 1.184 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000247000088 408384851 /nfs/dbraw/zinc/38/48/51/408384851.db2.gz FMGQUNJMRLSISA-CVEARBPZSA-N 2 1 309.454 1.184 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000246996260 408383226 /nfs/dbraw/zinc/38/32/26/408383226.db2.gz FJZUZQXDZOOENQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247075778 408402692 /nfs/dbraw/zinc/40/26/92/408402692.db2.gz YUUZICXCFKBHCQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247075778 408402700 /nfs/dbraw/zinc/40/27/00/408402700.db2.gz YUUZICXCFKBHCQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247075778 408402705 /nfs/dbraw/zinc/40/27/05/408402705.db2.gz YUUZICXCFKBHCQ-HOTGVXAUSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000176975872 408488819 /nfs/dbraw/zinc/48/88/19/408488819.db2.gz GDHNYDKVMNLJGO-OAHLLOKOSA-N 2 1 313.405 1.824 10 0 DDAEMP COc1ncccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000193336885 408713276 /nfs/dbraw/zinc/71/32/76/408713276.db2.gz HCARXDPBYYJCRY-CQSZACIVSA-N 2 1 307.438 1.615 10 0 DDAEMP CCc1nc2ccccc2n1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195318405 222197800 /nfs/dbraw/zinc/19/78/00/222197800.db2.gz DGDCLGFLVFCPGK-AWEZNQCLSA-N 2 1 312.417 1.905 10 0 DDAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378904285 418725824 /nfs/dbraw/zinc/72/58/24/418725824.db2.gz JLBCMDKUCIPIOB-DJIMGWMZSA-N 2 1 301.434 1.480 10 0 DDAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000380929769 418728160 /nfs/dbraw/zinc/72/81/60/418728160.db2.gz FNMAZMZCSOODDY-SJORKVTESA-N 2 1 301.434 1.624 10 0 DDAEMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263116553 484274246 /nfs/dbraw/zinc/27/42/46/484274246.db2.gz APMFYWOJMCHFFW-WMZOPIPTSA-N 2 1 314.433 1.218 10 0 DDAEMP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000248900601 698383674 /nfs/dbraw/zinc/38/36/74/698383674.db2.gz YXTOAUFBSFABCA-GRDNDAEWSA-N 2 1 301.434 1.690 10 0 DDAEMP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000248900601 698383678 /nfs/dbraw/zinc/38/36/78/698383678.db2.gz YXTOAUFBSFABCA-GRDNDAEWSA-N 2 1 301.434 1.690 10 0 DDAEMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261920668 698444938 /nfs/dbraw/zinc/44/49/38/698444938.db2.gz KGKCCHSBBHMDQX-BRWVUGGUSA-N 2 1 323.481 1.380 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262170136 698457466 /nfs/dbraw/zinc/45/74/66/698457466.db2.gz AQNYEKZPAJWQIC-RHSMWYFYSA-N 2 1 319.449 1.508 10 0 DDAEMP CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542599 185256162 /nfs/dbraw/zinc/25/61/62/185256162.db2.gz OUEQOHREBMLPRZ-UHFFFAOYSA-N 2 1 317.455 1.398 10 0 DDAEMP C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)s1 ZINC000092679055 185333353 /nfs/dbraw/zinc/33/33/53/185333353.db2.gz XTOBBWVKJZXZPT-NSHDSACASA-N 2 1 317.480 1.182 10 0 DDAEMP C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)s1 ZINC000092679055 185333354 /nfs/dbraw/zinc/33/33/54/185333354.db2.gz XTOBBWVKJZXZPT-NSHDSACASA-N 2 1 317.480 1.182 10 0 DDAEMP CN1CCN(C(=O)c2ccn3cncc3c2)C[C@@H]1c1ncc[nH]1 ZINC000328621190 354548765 /nfs/dbraw/zinc/54/87/65/354548765.db2.gz HNPNODVVBAXPRY-CQSZACIVSA-N 2 1 310.361 1.186 10 0 DDAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000020217681 182198178 /nfs/dbraw/zinc/19/81/78/182198178.db2.gz NEMRTTRPSIFTDA-JTQLQIEISA-N 2 1 302.216 1.679 10 0 DDAEMP COc1c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)nn1C ZINC000121128974 248271009 /nfs/dbraw/zinc/27/10/09/248271009.db2.gz NATFCMJCIKYBEP-ZDUSSCGKSA-N 2 1 324.469 1.262 10 0 DDAEMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000040508036 183085387 /nfs/dbraw/zinc/08/53/87/183085387.db2.gz CGAZLBHNLMNWSV-OAHLLOKOSA-N 2 1 307.825 1.736 10 0 DDAEMP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000040508036 183085388 /nfs/dbraw/zinc/08/53/88/183085388.db2.gz CGAZLBHNLMNWSV-OAHLLOKOSA-N 2 1 307.825 1.736 10 0 DDAEMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000110648836 194345437 /nfs/dbraw/zinc/34/54/37/194345437.db2.gz CMMZBAWWCQEMRS-LLVKDONJSA-N 2 1 310.467 1.333 10 0 DDAEMP C[NH+](C)CCN1CC[NH+](Cc2ccccc2C(N)=S)CC1 ZINC000061644354 184180491 /nfs/dbraw/zinc/18/04/91/184180491.db2.gz XIDCQGGNBYCIDW-UHFFFAOYSA-N 2 1 306.479 1.000 10 0 DDAEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105181960 407353031 /nfs/dbraw/zinc/35/30/31/407353031.db2.gz MHTWRSBEGCHWBU-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105181960 407353032 /nfs/dbraw/zinc/35/30/32/407353032.db2.gz MHTWRSBEGCHWBU-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105181960 407353033 /nfs/dbraw/zinc/35/30/33/407353033.db2.gz MHTWRSBEGCHWBU-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP Brc1c[nH+]ccc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261571462 407545292 /nfs/dbraw/zinc/54/52/92/407545292.db2.gz LBKKWYGLUBLTFQ-NSHDSACASA-N 2 1 311.227 1.328 10 0 DDAEMP C[C@H](CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000178861198 407630524 /nfs/dbraw/zinc/63/05/24/407630524.db2.gz XHMJNCCPCDKMHD-TWMKSMIVSA-N 2 1 323.481 1.191 10 0 DDAEMP CCc1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261885301 407653855 /nfs/dbraw/zinc/65/38/55/407653855.db2.gz FTHIZJHULUOLCO-KFWWJZLASA-N 2 1 309.479 1.995 10 0 DDAEMP CCCn1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000179516554 407799970 /nfs/dbraw/zinc/79/99/70/407799970.db2.gz MGWJIGXULVHHNW-HNNXBMFYSA-N 2 1 308.470 1.818 10 0 DDAEMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000262346569 407805461 /nfs/dbraw/zinc/80/54/61/407805461.db2.gz UVJDIJISNQKIRY-MRXNPFEDSA-N 2 1 301.434 1.759 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262400157 407825761 /nfs/dbraw/zinc/82/57/61/407825761.db2.gz CEGMNMQIORKVET-DUVNUKRYSA-N 2 1 305.397 1.453 10 0 DDAEMP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262400157 407825770 /nfs/dbraw/zinc/82/57/70/407825770.db2.gz CEGMNMQIORKVET-DUVNUKRYSA-N 2 1 305.397 1.453 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000263224046 408064388 /nfs/dbraw/zinc/06/43/88/408064388.db2.gz MLSHIVQLUVGJEK-VXGBXAGGSA-N 2 1 304.312 1.298 10 0 DDAEMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC000155580475 408184386 /nfs/dbraw/zinc/18/43/86/408184386.db2.gz LXWMTDYIXHFUKS-MRXNPFEDSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC000155580475 408184390 /nfs/dbraw/zinc/18/43/90/408184390.db2.gz LXWMTDYIXHFUKS-MRXNPFEDSA-N 2 1 310.486 1.890 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000151115118 408259854 /nfs/dbraw/zinc/25/98/54/408259854.db2.gz SPECKWRINNKZIA-OAHLLOKOSA-N 2 1 302.422 1.746 10 0 DDAEMP C[C@@H](NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246281828 408204437 /nfs/dbraw/zinc/20/44/37/408204437.db2.gz KBJZSKNJDPAOJK-RBSFLKMASA-N 2 1 310.486 1.841 10 0 DDAEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177839410 408725391 /nfs/dbraw/zinc/72/53/91/408725391.db2.gz PSGLIMHEUBSNLC-QZTJIDSGSA-N 2 1 306.450 1.838 10 0 DDAEMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177839410 408725397 /nfs/dbraw/zinc/72/53/97/408725397.db2.gz PSGLIMHEUBSNLC-QZTJIDSGSA-N 2 1 306.450 1.838 10 0 DDAEMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177839410 408725406 /nfs/dbraw/zinc/72/54/06/408725406.db2.gz PSGLIMHEUBSNLC-QZTJIDSGSA-N 2 1 306.450 1.838 10 0 DDAEMP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2C)C1 ZINC000583618184 422206320 /nfs/dbraw/zinc/20/63/20/422206320.db2.gz KVFGOGFEKNASAJ-GJZGRUSLSA-N 2 1 314.389 1.174 10 0 DDAEMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649299350 423734909 /nfs/dbraw/zinc/73/49/09/423734909.db2.gz MCJYVWHLSIKIHM-DLBZAZTESA-N 2 1 317.433 1.003 10 0 DDAEMP C[C@H]1CCCN(c2nc(N3CC[NH2+]CC3)c3c([nH+]2)CCC3)C1 ZINC000057328781 274555540 /nfs/dbraw/zinc/55/55/40/274555540.db2.gz FMUSZHWROJQFRZ-ZDUSSCGKSA-N 2 1 301.438 1.611 10 0 DDAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000113620896 279271157 /nfs/dbraw/zinc/27/11/57/279271157.db2.gz LLEULJFVTDRIJZ-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113620896 279271158 /nfs/dbraw/zinc/27/11/58/279271158.db2.gz LLEULJFVTDRIJZ-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113620896 279271159 /nfs/dbraw/zinc/27/11/59/279271159.db2.gz LLEULJFVTDRIJZ-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000247108745 281143827 /nfs/dbraw/zinc/14/38/27/281143827.db2.gz NBMLQPDPVXYVBZ-JKSUJKDBSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC000247108745 281143828 /nfs/dbraw/zinc/14/38/28/281143828.db2.gz NBMLQPDPVXYVBZ-JKSUJKDBSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000247108745 281143829 /nfs/dbraw/zinc/14/38/29/281143829.db2.gz NBMLQPDPVXYVBZ-JKSUJKDBSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC000247108745 281143830 /nfs/dbraw/zinc/14/38/30/281143830.db2.gz NBMLQPDPVXYVBZ-JKSUJKDBSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@](C)(O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189247258 523660753 /nfs/dbraw/zinc/66/07/53/523660753.db2.gz NBWFWCPFLVCXGH-QZTJIDSGSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@@](C)(O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000189247258 523660763 /nfs/dbraw/zinc/66/07/63/523660763.db2.gz NBWFWCPFLVCXGH-QZTJIDSGSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@@](C)(O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000189247258 523660770 /nfs/dbraw/zinc/66/07/70/523660770.db2.gz NBWFWCPFLVCXGH-QZTJIDSGSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@@](C)(O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000189247258 523660777 /nfs/dbraw/zinc/66/07/77/523660777.db2.gz NBWFWCPFLVCXGH-QZTJIDSGSA-N 2 1 306.450 1.716 10 0 DDAEMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261911297 698444237 /nfs/dbraw/zinc/44/42/37/698444237.db2.gz JCBINLAWCYDZSG-BRWVUGGUSA-N 2 1 320.433 1.951 10 0 DDAEMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[C@@H]1CSCCS1 ZINC000261991520 698449681 /nfs/dbraw/zinc/44/96/81/698449681.db2.gz SWAFXTHLFKVMSM-MQYQWHSLSA-N 2 1 302.509 1.582 10 0 DDAEMP C[N@@H+]1CCCC[C@@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087867967 185234049 /nfs/dbraw/zinc/23/40/49/185234049.db2.gz NAJPMZAYKJFZJO-MRVPVSSYSA-N 2 1 315.219 1.421 10 0 DDAEMP C[N@H+]1CCCC[C@@H]1CNc1nc(NN)[nH+]cc1Br ZINC000087867967 185234050 /nfs/dbraw/zinc/23/40/50/185234050.db2.gz NAJPMZAYKJFZJO-MRVPVSSYSA-N 2 1 315.219 1.421 10 0 DDAEMP NNc1nc(NCC[NH+]2CCCC2)c(Br)c[nH+]1 ZINC000087869808 185234101 /nfs/dbraw/zinc/23/41/01/185234101.db2.gz DCAOJFYQVDRXAR-UHFFFAOYSA-N 2 1 301.192 1.032 10 0 DDAEMP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379455026 354625631 /nfs/dbraw/zinc/62/56/31/354625631.db2.gz MSXBYWWFCILLLF-IRXDYDNUSA-N 2 1 301.434 1.767 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000094645195 193390097 /nfs/dbraw/zinc/39/00/97/193390097.db2.gz YPAMVRURORDPRE-ARFHVFGLSA-N 2 1 314.495 1.806 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000174953675 248387678 /nfs/dbraw/zinc/38/76/78/248387678.db2.gz CMWIBANGGBCFDX-HNNXBMFYSA-N 2 1 311.470 1.286 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000174953675 248387684 /nfs/dbraw/zinc/38/76/84/248387684.db2.gz CMWIBANGGBCFDX-HNNXBMFYSA-N 2 1 311.470 1.286 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000041681877 183217237 /nfs/dbraw/zinc/21/72/37/183217237.db2.gz ULKMVPNZNZEHIG-UHFFFAOYSA-N 2 1 305.488 1.026 10 0 DDAEMP CCC(CC)[N@@H+](CCOC)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000042616038 183291382 /nfs/dbraw/zinc/29/13/82/183291382.db2.gz LZOLBHVRCXVQBB-LSDHHAIUSA-N 2 1 300.443 1.746 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000105198499 194084054 /nfs/dbraw/zinc/08/40/54/194084054.db2.gz PXWIMTQLIUTLQW-IAGOWNOFSA-N 2 1 322.497 1.987 10 0 DDAEMP [NH3+]Cc1cccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000062941560 184261892 /nfs/dbraw/zinc/26/18/92/184261892.db2.gz PYDQVDANUHMJIF-CQSZACIVSA-N 2 1 309.435 1.004 10 0 DDAEMP CC[N@@H+](CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000106915085 407366645 /nfs/dbraw/zinc/36/66/45/407366645.db2.gz IZOFKNPQMSSLSY-KRWDZBQOSA-N 2 1 303.450 1.760 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000111816748 407416874 /nfs/dbraw/zinc/41/68/74/407416874.db2.gz PAJUKQIRHMFJSS-GJZGRUSLSA-N 2 1 314.474 1.127 10 0 DDAEMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261612029 407552094 /nfs/dbraw/zinc/55/20/94/407552094.db2.gz CBXVQVCGVYTJMY-KBPBESRZSA-N 2 1 307.442 1.615 10 0 DDAEMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261612029 407552100 /nfs/dbraw/zinc/55/21/00/407552100.db2.gz CBXVQVCGVYTJMY-KBPBESRZSA-N 2 1 307.442 1.615 10 0 DDAEMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000261833051 407632688 /nfs/dbraw/zinc/63/26/88/407632688.db2.gz XWOFFNOSBXZKRI-HOCLYGCPSA-N 2 1 312.417 1.344 10 0 DDAEMP Fc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261936114 407677888 /nfs/dbraw/zinc/67/78/88/407677888.db2.gz MGNVQNQDYACGIR-ZACQAIPSSA-N 2 1 308.397 1.951 10 0 DDAEMP CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261962620 407691242 /nfs/dbraw/zinc/69/12/42/407691242.db2.gz PKORBGQYZPUUSS-CABCVRRESA-N 2 1 321.469 1.699 10 0 DDAEMP Cn1c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000262036996 407719961 /nfs/dbraw/zinc/71/99/61/407719961.db2.gz XTVAGDKPNQOGTL-RWMBFGLXSA-N 2 1 303.431 1.769 10 0 DDAEMP O=C(NC[C@H]1CCCN(c2cc[nH+]cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000262044255 407723008 /nfs/dbraw/zinc/72/30/08/407723008.db2.gz CDLXKZAHMUNUNA-OCCSQVGLSA-N 2 1 322.840 1.820 10 0 DDAEMP CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc3nccn32)C1 ZINC000263466706 408147050 /nfs/dbraw/zinc/14/70/50/408147050.db2.gz CUAYRHPIGXHECU-UHFFFAOYSA-N 2 1 302.378 1.361 10 0 DDAEMP CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc3nccn32)C1 ZINC000263466706 408147055 /nfs/dbraw/zinc/14/70/55/408147055.db2.gz CUAYRHPIGXHECU-UHFFFAOYSA-N 2 1 302.378 1.361 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000176223053 408316173 /nfs/dbraw/zinc/31/61/73/408316173.db2.gz QNSPLVRMHXKZSM-HOCLYGCPSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000176223053 408316178 /nfs/dbraw/zinc/31/61/78/408316178.db2.gz QNSPLVRMHXKZSM-HOCLYGCPSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000176223053 408316182 /nfs/dbraw/zinc/31/61/82/408316182.db2.gz QNSPLVRMHXKZSM-HOCLYGCPSA-N 2 1 308.470 1.596 10 0 DDAEMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151297017 408290673 /nfs/dbraw/zinc/29/06/73/408290673.db2.gz HZBGLDSHSSCXRN-QZTJIDSGSA-N 2 1 306.450 1.681 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000247381414 408460835 /nfs/dbraw/zinc/46/08/35/408460835.db2.gz PTEGKTKFSUSESM-GDBMZVCRSA-N 2 1 310.486 1.746 10 0 DDAEMP Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000192575817 408614521 /nfs/dbraw/zinc/61/45/21/408614521.db2.gz QXMGBDOGJBGHTG-KGLIPLIRSA-N 2 1 322.453 1.576 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1C ZINC000161735744 408633685 /nfs/dbraw/zinc/63/36/85/408633685.db2.gz VVCDJTIRRHPLRW-HUUCEWRRSA-N 2 1 320.437 1.015 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2ccnc2c1 ZINC000177787923 408713376 /nfs/dbraw/zinc/71/33/76/408713376.db2.gz ZKNZIFKBRARGEU-UKRRQHHQSA-N 2 1 313.405 1.712 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000191337278 163182090 /nfs/dbraw/zinc/18/20/90/163182090.db2.gz BEGKDAXUHLFSCB-MAUKXSAKSA-N 2 1 312.498 1.952 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)[nH+]1 ZINC000195516321 163325854 /nfs/dbraw/zinc/32/58/54/163325854.db2.gz SOYQIQUGXYPPQZ-MRXNPFEDSA-N 2 1 316.449 1.992 10 0 DDAEMP C[C@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000282239914 409016941 /nfs/dbraw/zinc/01/69/41/409016941.db2.gz IZSFNKAQXLBZCB-RHSMWYFYSA-N 2 1 301.434 1.908 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@@H](C)O ZINC000246994152 282027768 /nfs/dbraw/zinc/02/77/68/282027768.db2.gz VIZRYSXDHQUVEL-BZUAXINKSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1C[C@@H](C)O ZINC000246994152 282027772 /nfs/dbraw/zinc/02/77/72/282027772.db2.gz VIZRYSXDHQUVEL-BZUAXINKSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1C[C@@H](C)O ZINC000246994152 282027776 /nfs/dbraw/zinc/02/77/76/282027776.db2.gz VIZRYSXDHQUVEL-BZUAXINKSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1C[C@@H](C)O ZINC000246994152 282027778 /nfs/dbraw/zinc/02/77/78/282027778.db2.gz VIZRYSXDHQUVEL-BZUAXINKSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247085421 282033608 /nfs/dbraw/zinc/03/36/08/282033608.db2.gz PNOJGMLTTVINNB-HRCADAONSA-N 2 1 310.486 1.985 10 0 DDAEMP C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991897 308207458 /nfs/dbraw/zinc/20/74/58/308207458.db2.gz AXQMOEMXMBAKOB-YTQUADARSA-N 2 1 317.477 1.601 10 0 DDAEMP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991897 308207460 /nfs/dbraw/zinc/20/74/60/308207460.db2.gz AXQMOEMXMBAKOB-YTQUADARSA-N 2 1 317.477 1.601 10 0 DDAEMP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261553727 698427412 /nfs/dbraw/zinc/42/74/12/698427412.db2.gz SROFBQLSBXKMCZ-INIZCTEOSA-N 2 1 317.433 1.275 10 0 DDAEMP C[NH2+][C@H](C)CNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000261707614 698433816 /nfs/dbraw/zinc/43/38/16/698433816.db2.gz JQRNILGOCGJBLO-RBSFLKMASA-N 2 1 319.449 1.634 10 0 DDAEMP COCc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000888097608 709212688 /nfs/dbraw/zinc/21/26/88/709212688.db2.gz KWEYVNPOCKPKLU-BRSBDYLESA-N 2 1 322.449 1.995 10 0 DDAEMP COCc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000888097611 709212731 /nfs/dbraw/zinc/21/27/31/709212731.db2.gz KWEYVNPOCKPKLU-ZJPYXAASSA-N 2 1 322.449 1.995 10 0 DDAEMP CCc1cc(NC2CC[NH+](C[C@@H](O)COC)CC2)nc(C)[nH+]1 ZINC000302067278 529554247 /nfs/dbraw/zinc/55/42/47/529554247.db2.gz DAZZVWFQJJRFRO-OAHLLOKOSA-N 2 1 308.426 1.231 10 0 DDAEMP CCN1CC[NH+](CCCN2Cc3ccc(C)cc3[C@@H]2C[NH3+])CC1 ZINC000071683014 191006501 /nfs/dbraw/zinc/00/65/01/191006501.db2.gz BIIHGZOWLOZWJH-IBGZPJMESA-N 2 1 316.493 1.838 10 0 DDAEMP c1ccc(NC[C@H]2CC[N@H+](CCCN3CCOCC3)C2)nc1 ZINC000173778892 198250751 /nfs/dbraw/zinc/25/07/51/198250751.db2.gz SSHXSTZEMYPBJA-MRXNPFEDSA-N 2 1 304.438 1.538 10 0 DDAEMP C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000093486040 193258065 /nfs/dbraw/zinc/25/80/65/193258065.db2.gz VLQKHKTUMSTFHL-JSGCOSHPSA-N 2 1 311.451 1.344 10 0 DDAEMP NC(=O)[C@]1([NH3+])CCC[C@@H]1CC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093596120 193270956 /nfs/dbraw/zinc/27/09/56/193270956.db2.gz OWQXAVGMIINEOA-MDZLAQPJSA-N 2 1 307.360 1.634 10 0 DDAEMP C[N@H+](CC(=O)N1CCc2sccc2C1)CC1CC[NH2+]CC1 ZINC000094024370 193339836 /nfs/dbraw/zinc/33/98/36/193339836.db2.gz XZXWMTYKJOVOCM-UHFFFAOYSA-N 2 1 307.463 1.564 10 0 DDAEMP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384005 193367528 /nfs/dbraw/zinc/36/75/28/193367528.db2.gz LKPYARTZIIDRBL-OAHLLOKOSA-N 2 1 313.511 1.268 10 0 DDAEMP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000022173756 182312127 /nfs/dbraw/zinc/31/21/27/182312127.db2.gz SQQTWQUGVGREFP-SNVBAGLBSA-N 2 1 302.216 1.679 10 0 DDAEMP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)NC ZINC000111145597 194395048 /nfs/dbraw/zinc/39/50/48/194395048.db2.gz DFLNAGPQTGZBLW-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000177396935 285271310 /nfs/dbraw/zinc/27/13/10/285271310.db2.gz SNDPUXVAPOPIAV-INIZCTEOSA-N 2 1 310.486 1.844 10 0 DDAEMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2C[C@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000248071504 257109412 /nfs/dbraw/zinc/10/94/12/257109412.db2.gz YHJWVJBUGLKXFQ-BRWVUGGUSA-N 2 1 321.465 1.184 10 0 DDAEMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261612033 407551320 /nfs/dbraw/zinc/55/13/20/407551320.db2.gz CBXVQVCGVYTJMY-KGLIPLIRSA-N 2 1 307.442 1.615 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261612033 407551327 /nfs/dbraw/zinc/55/13/27/407551327.db2.gz CBXVQVCGVYTJMY-KGLIPLIRSA-N 2 1 307.442 1.615 10 0 DDAEMP Cc1csc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc(=O)n12 ZINC000261700331 407584040 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10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cn3cccnc3n2)CC1 ZINC000171588674 407711581 /nfs/dbraw/zinc/71/15/81/407711581.db2.gz LWEGEBPPUDGZPT-AWEZNQCLSA-N 2 1 317.437 1.254 10 0 DDAEMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000171828725 407775482 /nfs/dbraw/zinc/77/54/82/407775482.db2.gz WXJUMIBLKPCLGK-AWEZNQCLSA-N 2 1 307.438 1.615 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262473172 407846368 /nfs/dbraw/zinc/84/63/68/407846368.db2.gz JKBVCWPBLUCOAZ-IACUBPJLSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262473172 407846373 /nfs/dbraw/zinc/84/63/73/407846373.db2.gz JKBVCWPBLUCOAZ-IACUBPJLSA-N 2 1 306.406 1.882 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000122093729 408248723 /nfs/dbraw/zinc/24/87/23/408248723.db2.gz QDVQUQTZFHJISY-MRXNPFEDSA-N 2 1 304.438 1.914 10 0 DDAEMP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151100336 408256164 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0 DDAEMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000247563930 408492574 /nfs/dbraw/zinc/49/25/74/408492574.db2.gz VHOKOZLIPQMLRA-GJZGRUSLSA-N 2 1 310.486 1.842 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837242 423150458 /nfs/dbraw/zinc/15/04/58/423150458.db2.gz YIUOTHUZBGHLQK-UAGQMJEPSA-N 2 1 301.434 1.480 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000301972440 230013350 /nfs/dbraw/zinc/01/33/50/230013350.db2.gz IBBJIWKBMMJSKC-LSDHHAIUSA-N 2 1 312.421 1.891 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000301972440 230013354 /nfs/dbraw/zinc/01/33/54/230013354.db2.gz IBBJIWKBMMJSKC-LSDHHAIUSA-N 2 1 312.421 1.891 10 0 DDAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719872 422583864 /nfs/dbraw/zinc/58/38/64/422583864.db2.gz ATRNOFPMJBLSSL-WMZOPIPTSA-N 2 1 306.450 1.620 10 0 DDAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719872 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407338488 /nfs/dbraw/zinc/33/84/88/407338488.db2.gz PNHKJGVNSUPCLY-ILXRZTDVSA-N 2 1 312.502 1.991 10 0 DDAEMP Cc1csc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc(=O)n12 ZINC000261700333 407584945 /nfs/dbraw/zinc/58/49/45/407584945.db2.gz ODUGWSNXBBFCTD-DRZSPHRISA-N 2 1 304.419 1.234 10 0 DDAEMP Cc1csc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc(=O)n12 ZINC000261700333 407584950 /nfs/dbraw/zinc/58/49/50/407584950.db2.gz ODUGWSNXBBFCTD-DRZSPHRISA-N 2 1 304.419 1.234 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113583459 407516057 /nfs/dbraw/zinc/51/60/57/407516057.db2.gz MXRDMKKCKFJSLR-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N1CCCCC1 ZINC000261936072 407678761 /nfs/dbraw/zinc/67/87/61/407678761.db2.gz MFVQCKXLYAFHLG-OAGGEKHMSA-N 2 1 309.454 1.136 10 0 DDAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262069035 407731743 /nfs/dbraw/zinc/73/17/43/407731743.db2.gz SGFCHPNYSDUPOB-GOEBONIOSA-N 2 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CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000360012632 411002041 /nfs/dbraw/zinc/00/20/41/411002041.db2.gz CHMHKARTAQEFKM-ALOPSCKCSA-N 2 1 301.434 1.860 10 0 DDAEMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360012632 411002049 /nfs/dbraw/zinc/00/20/49/411002049.db2.gz CHMHKARTAQEFKM-ALOPSCKCSA-N 2 1 301.434 1.860 10 0 DDAEMP COC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278915 423715520 /nfs/dbraw/zinc/71/55/20/423715520.db2.gz NBOPPILJQWSHQC-SJLPKXTDSA-N 2 1 317.433 1.146 10 0 DDAEMP COC[C@]1(C(=O)NCC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649305858 423739318 /nfs/dbraw/zinc/73/93/18/423739318.db2.gz INXANEKDPDSMSS-KRWDZBQOSA-N 2 1 305.422 1.003 10 0 DDAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000191482900 276059204 /nfs/dbraw/zinc/05/92/04/276059204.db2.gz GVHFHUJPKYNMBM-HNNXBMFYSA-N 2 1 322.453 1.141 10 0 DDAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000191482900 276059205 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CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634614 193385966 /nfs/dbraw/zinc/38/59/66/193385966.db2.gz PVUPVRUYUAFXGI-HUUCEWRRSA-N 2 1 302.484 1.936 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634614 193385968 /nfs/dbraw/zinc/38/59/68/193385968.db2.gz PVUPVRUYUAFXGI-HUUCEWRRSA-N 2 1 302.484 1.936 10 0 DDAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCS(=O)(=O)CC1 ZINC000040784420 183133857 /nfs/dbraw/zinc/13/38/57/183133857.db2.gz IWRAKMXGUMOWPP-MZBDJJRSSA-N 2 1 314.495 1.662 10 0 DDAEMP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C1CCS(=O)(=O)CC1 ZINC000040784420 183133861 /nfs/dbraw/zinc/13/38/61/183133861.db2.gz IWRAKMXGUMOWPP-MZBDJJRSSA-N 2 1 314.495 1.662 10 0 DDAEMP CC1CC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105127351 194075443 /nfs/dbraw/zinc/07/54/43/194075443.db2.gz BWLSBASASRFOBW-MRXNPFEDSA-N 2 1 308.470 1.598 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000123199468 407322664 /nfs/dbraw/zinc/32/26/64/407322664.db2.gz RWNGSMQFAMEFGI-OAGGEKHMSA-N 2 1 310.486 1.746 10 0 DDAEMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817072 407625988 /nfs/dbraw/zinc/62/59/88/407625988.db2.gz RZMHHXCQOALSJX-UAGQMJEPSA-N 2 1 303.450 1.821 10 0 DDAEMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817072 407625993 /nfs/dbraw/zinc/62/59/93/407625993.db2.gz RZMHHXCQOALSJX-UAGQMJEPSA-N 2 1 303.450 1.821 10 0 DDAEMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261967234 407696270 /nfs/dbraw/zinc/69/62/70/407696270.db2.gz QDNGMJZWEKLMIE-BRWVUGGUSA-N 2 1 317.433 1.075 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000262054039 407725435 /nfs/dbraw/zinc/72/54/35/407725435.db2.gz ZZPOWNSZCUESTC-BRSBDYLESA-N 2 1 309.498 1.854 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)[nH+]1 ZINC000171638334 407730822 /nfs/dbraw/zinc/73/08/22/407730822.db2.gz IHCXPXCPJCEJFN-CVEARBPZSA-N 2 1 315.421 1.381 10 0 DDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)[nH+]1 ZINC000171638334 407730827 /nfs/dbraw/zinc/73/08/27/407730827.db2.gz IHCXPXCPJCEJFN-CVEARBPZSA-N 2 1 315.421 1.381 10 0 DDAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245395123 407957123 /nfs/dbraw/zinc/95/71/23/407957123.db2.gz HAZJIWOHUKCFRG-HUUCEWRRSA-N 2 1 300.491 1.992 10 0 DDAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171907360 162248402 /nfs/dbraw/zinc/24/84/02/162248402.db2.gz HMDAQJNJKMULJX-JKSUJKDBSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171907360 162248406 /nfs/dbraw/zinc/24/84/06/162248406.db2.gz HMDAQJNJKMULJX-JKSUJKDBSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171907360 162248408 /nfs/dbraw/zinc/24/84/08/162248408.db2.gz HMDAQJNJKMULJX-JKSUJKDBSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(=O)N[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191450818 163186982 /nfs/dbraw/zinc/18/69/82/163186982.db2.gz SPRWGLQFDPQONQ-QGZVFWFLSA-N 2 1 310.486 1.003 10 0 DDAEMP c1ccc(CN2CCN(CC[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000390526380 307293828 /nfs/dbraw/zinc/29/38/28/307293828.db2.gz COHHMRZVABSEMU-IBGZPJMESA-N 2 1 316.493 1.536 10 0 DDAEMP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000381299399 325741123 /nfs/dbraw/zinc/74/11/23/325741123.db2.gz CJHMIZGUSBPDMT-QGZVFWFLSA-N 2 1 301.434 1.721 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396369648 483994586 /nfs/dbraw/zinc/99/45/86/483994586.db2.gz MTXDVLAELAZIJT-HYVNUMGLSA-N 2 1 301.434 1.847 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396369648 483994587 /nfs/dbraw/zinc/99/45/87/483994587.db2.gz MTXDVLAELAZIJT-HYVNUMGLSA-N 2 1 301.434 1.847 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000381096730 490777677 /nfs/dbraw/zinc/77/76/77/490777677.db2.gz YIJYYCLQCDAJSK-FUHWJXTLSA-N 2 1 305.466 1.553 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588235 699250263 /nfs/dbraw/zinc/25/02/63/699250263.db2.gz AULHDUYJTYVXEO-MHABSNSOSA-N 2 1 301.434 1.608 10 0 DDAEMP C[C@H](C[NH3+])C[N@@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639600 185229711 /nfs/dbraw/zinc/22/97/11/185229711.db2.gz KLZQGTVTGYRTEQ-GFCCVEGCSA-N 2 1 311.499 1.943 10 0 DDAEMP C[C@H](C[NH3+])C[N@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000087639600 185229712 /nfs/dbraw/zinc/22/97/12/185229712.db2.gz KLZQGTVTGYRTEQ-GFCCVEGCSA-N 2 1 311.499 1.943 10 0 DDAEMP C[NH2+][C@H]1COC[C@H]1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000090438676 185296720 /nfs/dbraw/zinc/29/67/20/185296720.db2.gz CJFRHAGVGAYEMF-CJNGLKHVSA-N 2 1 309.841 1.696 10 0 DDAEMP C[NH+](C)Cc1ccc2c(c1)[C@H](CN)[N@H+](C1CCC(O)CC1)C2 ZINC000071683824 191007121 /nfs/dbraw/zinc/00/71/21/191007121.db2.gz PSPJBCSGLKHRED-HTWSVDAQSA-N 2 1 303.450 1.867 10 0 DDAEMP C[NH+](C)Cc1ccc2c(c1)[C@H](CN)[N@@H+](C1CCC(O)CC1)C2 ZINC000071683824 191007124 /nfs/dbraw/zinc/00/71/24/191007124.db2.gz PSPJBCSGLKHRED-HTWSVDAQSA-N 2 1 303.450 1.867 10 0 DDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171897475 198003637 /nfs/dbraw/zinc/00/36/37/198003637.db2.gz PWOKUKGBKMNSNI-SJORKVTESA-N 2 1 316.449 1.779 10 0 DDAEMP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275714 201370454 /nfs/dbraw/zinc/37/04/54/201370454.db2.gz UXLQURZFLACSLN-KRWDZBQOSA-N 2 1 318.465 1.750 10 0 DDAEMP CC(C)NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195275714 201370456 /nfs/dbraw/zinc/37/04/56/201370456.db2.gz UXLQURZFLACSLN-KRWDZBQOSA-N 2 1 318.465 1.750 10 0 DDAEMP CC(C)NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195275714 201370460 /nfs/dbraw/zinc/37/04/60/201370460.db2.gz UXLQURZFLACSLN-KRWDZBQOSA-N 2 1 318.465 1.750 10 0 DDAEMP CC(C)NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195275714 201370464 /nfs/dbraw/zinc/37/04/64/201370464.db2.gz UXLQURZFLACSLN-KRWDZBQOSA-N 2 1 318.465 1.750 10 0 DDAEMP CCC[N@@H+]([C@@H]1CCC[C@@H]1S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000091851606 193117714 /nfs/dbraw/zinc/11/77/14/193117714.db2.gz JATFZXPTGJFCEM-CVSAEHQPSA-N 2 1 302.484 1.934 10 0 DDAEMP [NH3+]C[C@]1(O)CCC[C@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093626896 193276904 /nfs/dbraw/zinc/27/69/04/193276904.db2.gz FAFZAPSFZJIZOF-QWHCGFSZSA-N 2 1 309.376 1.046 10 0 DDAEMP CCc1nn2c(nc(C[N@H+](C)CC(C)(C)C[NH3+])cc2=O)s1 ZINC000093874002 193321921 /nfs/dbraw/zinc/32/19/21/193321921.db2.gz BRTFLFVYBBHVNN-UHFFFAOYSA-N 2 1 309.439 1.130 10 0 DDAEMP CCc1nn2c(nc(C[N@@H+](C)CC(C)(C)C[NH3+])cc2=O)s1 ZINC000093874002 193321923 /nfs/dbraw/zinc/32/19/23/193321923.db2.gz BRTFLFVYBBHVNN-UHFFFAOYSA-N 2 1 309.439 1.130 10 0 DDAEMP NC(=[NH2+])c1cccc(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000021805717 182291063 /nfs/dbraw/zinc/29/10/63/182291063.db2.gz DUQQURZCHHZHED-UHFFFAOYSA-N 2 1 301.419 1.749 10 0 DDAEMP C[C@@H](C(=O)Nc1nc2c(s1)C[NH2+]CC2)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000043559812 183371112 /nfs/dbraw/zinc/37/11/12/183371112.db2.gz YMYOCFWPWBUJLM-DCAQKATOSA-N 2 1 308.451 1.989 10 0 DDAEMP COCC[NH2+][C@@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000110829492 194361712 /nfs/dbraw/zinc/36/17/12/194361712.db2.gz KELORWHQNYVTHP-AWEZNQCLSA-N 2 1 313.239 1.871 10 0 DDAEMP COCC[NH2+][C@]1(C[NH3+])CCc2cc(Br)ccc2C1 ZINC000110829490 194362375 /nfs/dbraw/zinc/36/23/75/194362375.db2.gz KELORWHQNYVTHP-CQSZACIVSA-N 2 1 313.239 1.871 10 0 DDAEMP CCCN[C@](C)(CC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145352 194395974 /nfs/dbraw/zinc/39/59/74/194395974.db2.gz IXJWTECBZJHDRN-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP CCCN[C@](C)(CC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145352 194395977 /nfs/dbraw/zinc/39/59/77/194395977.db2.gz IXJWTECBZJHDRN-MRXNPFEDSA-N 2 1 301.475 1.581 10 0 DDAEMP CN(Cc1cc(Br)cs1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990596 184200010 /nfs/dbraw/zinc/20/00/10/184200010.db2.gz JDCKBSJNKLEKIH-LBPRGKRZSA-N 2 1 318.284 1.975 10 0 DDAEMP CN(Cc1cc(Br)cs1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990596 184200013 /nfs/dbraw/zinc/20/00/13/184200013.db2.gz JDCKBSJNKLEKIH-LBPRGKRZSA-N 2 1 318.284 1.975 10 0 DDAEMP C[N@@H+]1[C@@H]2CC[NH+](C3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248029440 257110170 /nfs/dbraw/zinc/11/01/70/257110170.db2.gz KSIWDESANQPGGO-BHYGNILZSA-N 2 1 304.438 1.457 10 0 DDAEMP C[NH+]1[C@@H]2CC[N@H+](C3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248029440 257110171 /nfs/dbraw/zinc/11/01/71/257110171.db2.gz KSIWDESANQPGGO-BHYGNILZSA-N 2 1 304.438 1.457 10 0 DDAEMP C[NH+]1[C@@H]2CC[N@@H+](C3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248029440 257110173 /nfs/dbraw/zinc/11/01/73/257110173.db2.gz KSIWDESANQPGGO-BHYGNILZSA-N 2 1 304.438 1.457 10 0 DDAEMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000236863857 286061492 /nfs/dbraw/zinc/06/14/92/286061492.db2.gz FJUYKSZGKVTWQL-JJXSEGSLSA-N 2 1 311.470 1.367 10 0 DDAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261726289 407592416 /nfs/dbraw/zinc/59/24/16/407592416.db2.gz CRAPMHGKXFCJES-IJEWVQPXSA-N 2 1 311.470 1.225 10 0 DDAEMP O=C(CC[N@H+]1CCCC[C@H]1c1nccs1)N1CC[NH2+]CC1 ZINC000262038273 407720117 /nfs/dbraw/zinc/72/01/17/407720117.db2.gz HLSZAOPWSIKWGA-ZDUSSCGKSA-N 2 1 308.451 1.492 10 0 DDAEMP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262210540 407765783 /nfs/dbraw/zinc/76/57/83/407765783.db2.gz DXFZWFQOFOUGSW-BBRMVZONSA-N 2 1 305.422 1.831 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000262260312 407780182 /nfs/dbraw/zinc/78/01/82/407780182.db2.gz MFINTABOCYSONG-XQLPTFJDSA-N 2 1 311.470 1.236 10 0 DDAEMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1OC ZINC000262466107 407841305 /nfs/dbraw/zinc/84/13/05/407841305.db2.gz IXIIPGRKASIBIT-IACUBPJLSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1OC ZINC000262466107 407841310 /nfs/dbraw/zinc/84/13/10/407841310.db2.gz IXIIPGRKASIBIT-IACUBPJLSA-N 2 1 306.406 1.882 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000173963422 407908470 /nfs/dbraw/zinc/90/84/70/407908470.db2.gz STDNYWBNFQFLSY-ZMSDIMECSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173963422 407908473 /nfs/dbraw/zinc/90/84/73/407908473.db2.gz STDNYWBNFQFLSY-ZMSDIMECSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173963422 407908474 /nfs/dbraw/zinc/90/84/74/407908474.db2.gz STDNYWBNFQFLSY-ZMSDIMECSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000245659674 408039623 /nfs/dbraw/zinc/03/96/23/408039623.db2.gz CZGCHIMLUDHCJG-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000263217479 408061503 /nfs/dbraw/zinc/06/15/03/408061503.db2.gz LCZWPLLYWLUSSX-IRXDYDNUSA-N 2 1 313.401 1.331 10 0 DDAEMP Cc1ccc(-c2ncc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)s2)cc1 ZINC000263302764 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1 304.438 1.312 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000389834037 418750870 /nfs/dbraw/zinc/75/08/70/418750870.db2.gz CGYOHVNLVDPWDQ-SRABZTEZSA-N 2 1 301.434 1.479 10 0 DDAEMP Cn1ccnc1C[N@@H+](CC[C@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811356 698439102 /nfs/dbraw/zinc/43/91/02/698439102.db2.gz HRUWVWIIDUEQBT-HOTGVXAUSA-N 2 1 318.465 1.791 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@H]1C(C)C ZINC000888097742 709212872 /nfs/dbraw/zinc/21/28/72/709212872.db2.gz NSTSURPEHZFDBH-BRSBDYLESA-N 2 1 320.481 1.688 10 0 DDAEMP CC(=O)NC1CCN(c2cc(C3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000072365372 191133739 /nfs/dbraw/zinc/13/37/39/191133739.db2.gz GYKYRYKBANOZOB-UHFFFAOYSA-N 2 1 302.422 1.654 10 0 DDAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC2OCCO2)C1 ZINC000195269567 201369409 /nfs/dbraw/zinc/36/94/09/201369409.db2.gz MAERJBDROPZCSQ-INIZCTEOSA-N 2 1 305.422 1.598 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC2OCCO2)C1 ZINC000195269567 201369411 /nfs/dbraw/zinc/36/94/11/201369411.db2.gz MAERJBDROPZCSQ-INIZCTEOSA-N 2 1 305.422 1.598 10 0 DDAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000195269567 201369415 /nfs/dbraw/zinc/36/94/15/201369415.db2.gz MAERJBDROPZCSQ-INIZCTEOSA-N 2 1 305.422 1.598 10 0 DDAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000195269567 201369417 /nfs/dbraw/zinc/36/94/17/201369417.db2.gz MAERJBDROPZCSQ-INIZCTEOSA-N 2 1 305.422 1.598 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000262021188 203176216 /nfs/dbraw/zinc/17/62/16/203176216.db2.gz AKYXLIJQCXMKKS-RDJZCZTQSA-N 2 1 317.433 1.098 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000262021188 203176218 /nfs/dbraw/zinc/17/62/18/203176218.db2.gz AKYXLIJQCXMKKS-RDJZCZTQSA-N 2 1 317.433 1.098 10 0 DDAEMP C[NH2+][C@@]1(CO)CCC[C@H]1CC[N@@H+](CCCOC)CCOC ZINC000093617545 193275263 /nfs/dbraw/zinc/27/52/63/193275263.db2.gz WLSALFBZJQUZKX-JKSUJKDBSA-N 2 1 302.459 1.112 10 0 DDAEMP CC(C)[N@@H+]1CCO[C@H](COc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094346063 193363023 /nfs/dbraw/zinc/36/30/23/193363023.db2.gz VRSMRTYSUJKSFY-LBPRGKRZSA-N 2 1 300.349 1.912 10 0 DDAEMP CC(C)[N@H+]1CCO[C@H](COc2c(F)cc(C[NH3+])cc2F)C1 ZINC000094346063 193363025 /nfs/dbraw/zinc/36/30/25/193363025.db2.gz VRSMRTYSUJKSFY-LBPRGKRZSA-N 2 1 300.349 1.912 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000094645189 193390090 /nfs/dbraw/zinc/39/00/90/193390090.db2.gz SNDRXNAFIZCGPC-QKPAOTATSA-N 2 1 314.495 1.806 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C(N)=O)c2ccccc2)CC1 ZINC000105862442 194149801 /nfs/dbraw/zinc/14/98/01/194149801.db2.gz FQARZZRFLWBRHC-YOEHRIQHSA-N 2 1 319.449 1.238 10 0 DDAEMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218098 286246376 /nfs/dbraw/zinc/24/63/76/286246376.db2.gz UHXSDXUAJBRLOV-HZPDHXFCSA-N 2 1 323.481 1.478 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000170855562 407531188 /nfs/dbraw/zinc/53/11/88/407531188.db2.gz QEVDNJCWDTVNNH-IAGOWNOFSA-N 2 1 301.434 1.814 10 0 DDAEMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261837550 407634338 /nfs/dbraw/zinc/63/43/38/407634338.db2.gz ABHSUSQLLQKYMZ-HMDCTGQHSA-N 2 1 323.481 1.380 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCCn1ccnc1 ZINC000178930021 407660562 /nfs/dbraw/zinc/66/05/62/407660562.db2.gz PUNGRLNKIDZIJW-OAHLLOKOSA-N 2 1 307.442 1.693 10 0 DDAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1OC ZINC000261885439 407652308 /nfs/dbraw/zinc/65/23/08/407652308.db2.gz FVXBWDSHSQZKSH-OAGGEKHMSA-N 2 1 320.433 1.951 10 0 DDAEMP c1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261940994 407681815 /nfs/dbraw/zinc/68/18/15/407681815.db2.gz MUMRCVPWLOEZMA-KSZLIROESA-N 2 1 304.434 1.950 10 0 DDAEMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261990089 407704579 /nfs/dbraw/zinc/70/45/79/407704579.db2.gz SNCJQIKRZILIEC-KSZLIROESA-N 2 1 317.433 1.892 10 0 DDAEMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262006987 407709284 /nfs/dbraw/zinc/70/92/84/407709284.db2.gz VEOAXDZOZOZERZ-ARFHVFGLSA-N 2 1 304.438 1.394 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2CC)C1 ZINC000246476784 408266704 /nfs/dbraw/zinc/26/67/04/408266704.db2.gz VOYZMEJATMSQQK-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)C1 ZINC000246476784 408266709 /nfs/dbraw/zinc/26/67/09/408266709.db2.gz VOYZMEJATMSQQK-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)C1 ZINC000246476784 408266715 /nfs/dbraw/zinc/26/67/15/408266715.db2.gz VOYZMEJATMSQQK-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP O[C@H](COCc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175762213 408198204 /nfs/dbraw/zinc/19/82/04/408198204.db2.gz BAVFTCVSWWUVDX-MOPGFXCFSA-N 2 1 318.461 1.982 10 0 DDAEMP CSCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171631019 162231169 /nfs/dbraw/zinc/23/11/69/162231169.db2.gz LQUSLALWRVZYKX-HNNXBMFYSA-N 2 1 301.500 1.076 10 0 DDAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[Si](C)(C)C)CC2)C1 ZINC000171746244 162239775 /nfs/dbraw/zinc/23/97/75/162239775.db2.gz PIBTYOYTWNEMTF-INIZCTEOSA-N 2 1 313.562 1.591 10 0 DDAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000172056501 162255685 /nfs/dbraw/zinc/25/56/85/162255685.db2.gz FMGQUNJMRLSISA-JKSUJKDBSA-N 2 1 309.454 1.184 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH+]1CCOCC1 ZINC000172056501 162255687 /nfs/dbraw/zinc/25/56/87/162255687.db2.gz FMGQUNJMRLSISA-JKSUJKDBSA-N 2 1 309.454 1.184 10 0 DDAEMP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246987611 408381761 /nfs/dbraw/zinc/38/17/61/408381761.db2.gz AUNBRDCGIUKTKT-LSDHHAIUSA-N 2 1 313.486 1.172 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247505475 408484231 /nfs/dbraw/zinc/48/42/31/408484231.db2.gz VJLOKSKFFDCBMB-NCOADZHNSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247505475 408484237 /nfs/dbraw/zinc/48/42/37/408484237.db2.gz VJLOKSKFFDCBMB-NCOADZHNSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000247505475 408484244 /nfs/dbraw/zinc/48/42/44/408484244.db2.gz VJLOKSKFFDCBMB-NCOADZHNSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000192735940 408641010 /nfs/dbraw/zinc/64/10/10/408641010.db2.gz QUWKWPARGXUFIQ-KRWDZBQOSA-N 2 1 320.485 1.331 10 0 DDAEMP C[NH+](C)CC1(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000185165674 408773303 /nfs/dbraw/zinc/77/33/03/408773303.db2.gz MYFGZVSKLQINQN-OAHLLOKOSA-N 2 1 308.470 1.598 10 0 DDAEMP OCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262035081 163754235 /nfs/dbraw/zinc/75/42/35/163754235.db2.gz XXCLQKDAKYHAKW-KURKYZTESA-N 2 1 320.433 1.304 10 0 DDAEMP C[N@H+]1CCN(c2ncnc3c2CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC000244795659 222213435 /nfs/dbraw/zinc/21/34/35/222213435.db2.gz RLEZHRPHVVTDLT-KRWDZBQOSA-N 2 1 309.417 1.615 10 0 DDAEMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000645786908 423187629 /nfs/dbraw/zinc/18/76/29/423187629.db2.gz JEBXMDKHDCQCST-YESZJQIVSA-N 2 1 319.424 1.715 10 0 DDAEMP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[C@@H]1CSCCS1 ZINC000261991527 275726688 /nfs/dbraw/zinc/72/66/88/275726688.db2.gz SWAFXTHLFKVMSM-ZOBORPQBSA-N 2 1 302.509 1.582 10 0 DDAEMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000171903771 298238855 /nfs/dbraw/zinc/23/88/55/298238855.db2.gz BIEIEJBYJYQVOW-JFIYKMOQSA-N 2 1 322.497 1.987 10 0 DDAEMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000262127900 484263320 /nfs/dbraw/zinc/26/33/20/484263320.db2.gz NHBSQANOIXQOPS-RDJZCZTQSA-N 2 1 312.417 1.519 10 0 DDAEMP O=c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc(-c2ccc(F)cc2)[nH]1 ZINC000073696187 527480067 /nfs/dbraw/zinc/48/00/67/527480067.db2.gz GOSKLIWAAMCTGY-LBPRGKRZSA-N 2 1 316.380 1.665 10 0 DDAEMP Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261961579 698448009 /nfs/dbraw/zinc/44/80/09/698448009.db2.gz PQBGHJBMCIZFDP-XWTMOSNGSA-N 2 1 304.434 1.775 10 0 DDAEMP C[C@@]1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)COC[C@@H]1[NH3+] ZINC000090606412 185306278 /nfs/dbraw/zinc/30/62/78/185306278.db2.gz DLVMOIVLQQJJPF-JKSUJKDBSA-N 2 1 309.841 1.826 10 0 DDAEMP CCC[NH2+]C1CCC([N@@H+](C)CC(=O)NCC(F)(F)F)CC1 ZINC000091870188 193121035 /nfs/dbraw/zinc/12/10/35/193121035.db2.gz SZUKOHZGNJURMU-UHFFFAOYSA-N 2 1 309.376 1.908 10 0 DDAEMP C[NH2+][C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1cnn(C)c1 ZINC000262419848 203289571 /nfs/dbraw/zinc/28/95/71/203289571.db2.gz RPFVSKCHJUVBFQ-CABCVRRESA-N 2 1 307.442 1.013 10 0 DDAEMP CCC[N@@H+](CCCC[C@](C)([NH3+])C(=O)OCC)CCN(C)C ZINC000041675136 183215263 /nfs/dbraw/zinc/21/52/63/183215263.db2.gz ITUABUNQUQKWFC-INIZCTEOSA-N 2 1 301.475 1.711 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCCCC1 ZINC000106431934 194213093 /nfs/dbraw/zinc/21/30/93/194213093.db2.gz HQGHHCBGYYLZHH-KRWDZBQOSA-N 2 1 303.450 1.761 10 0 DDAEMP C[NH2+]CC1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000063165754 184274988 /nfs/dbraw/zinc/27/49/88/184274988.db2.gz PFYYEGKEGCNVCW-UHFFFAOYSA-N 2 1 310.467 1.205 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2OCO3)CC1 ZINC000121097763 195293489 /nfs/dbraw/zinc/29/34/89/195293489.db2.gz WNOBIFPULHJBKT-AWEZNQCLSA-N 2 1 320.433 1.940 10 0 DDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000111816754 407416993 /nfs/dbraw/zinc/41/69/93/407416993.db2.gz PAJUKQIRHMFJSS-LSDHHAIUSA-N 2 1 314.474 1.127 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261910031 407667115 /nfs/dbraw/zinc/66/71/15/407667115.db2.gz IVJXJCIOLRFJGR-BRWVUGGUSA-N 2 1 314.433 1.624 10 0 DDAEMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261932206 407679716 /nfs/dbraw/zinc/67/97/16/407679716.db2.gz LUDKWNFEVNGUJU-KSZLIROESA-N 2 1 317.433 1.892 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965899 407694325 /nfs/dbraw/zinc/69/43/25/407694325.db2.gz PZJNXKNCVXDKTE-SFFUCWETSA-N 2 1 309.498 1.854 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965899 407694332 /nfs/dbraw/zinc/69/43/32/407694332.db2.gz PZJNXKNCVXDKTE-SFFUCWETSA-N 2 1 309.498 1.854 10 0 DDAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262022391 407715391 /nfs/dbraw/zinc/71/53/91/407715391.db2.gz OWQDAAZBSCVWMG-KNCOVGOOSA-N 2 1 311.470 1.223 10 0 DDAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261911218 407665247 /nfs/dbraw/zinc/66/52/47/407665247.db2.gz JAGOYGIXBMJWNN-RZFLPCETSA-N 2 1 309.498 1.996 10 0 DDAEMP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000116787416 407775960 /nfs/dbraw/zinc/77/59/60/407775960.db2.gz QBCQFWYEVOMQKG-CVEARBPZSA-N 2 1 305.422 1.078 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000117301779 407827496 /nfs/dbraw/zinc/82/74/96/407827496.db2.gz NBMLQPDPVXYVBZ-CVEARBPZSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC000117301779 407827499 /nfs/dbraw/zinc/82/74/99/407827499.db2.gz NBMLQPDPVXYVBZ-CVEARBPZSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC000117301779 407827503 /nfs/dbraw/zinc/82/75/03/407827503.db2.gz NBMLQPDPVXYVBZ-CVEARBPZSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC000117301779 407827507 /nfs/dbraw/zinc/82/75/07/407827507.db2.gz NBMLQPDPVXYVBZ-CVEARBPZSA-N 2 1 311.470 1.430 10 0 DDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245395124 407956959 /nfs/dbraw/zinc/95/69/59/407956959.db2.gz HAZJIWOHUKCFRG-LSDHHAIUSA-N 2 1 300.491 1.992 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000263223106 408063757 /nfs/dbraw/zinc/06/37/57/408063757.db2.gz MGXQTRMEVHRLFD-ZWKOTPCHSA-N 2 1 312.413 1.936 10 0 DDAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(SC)cc1OC ZINC000263318496 408103458 /nfs/dbraw/zinc/10/34/58/408103458.db2.gz ZVJBZFQUTBVXJK-VXGBXAGGSA-N 2 1 312.435 1.096 10 0 DDAEMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000190137273 408173804 /nfs/dbraw/zinc/17/38/04/408173804.db2.gz OGXKCMGALDPOFE-MRXNPFEDSA-N 2 1 310.486 1.988 10 0 DDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000177319079 408580445 /nfs/dbraw/zinc/58/04/45/408580445.db2.gz LNOKIVMUHVCEDA-HOTGVXAUSA-N 2 1 310.486 1.890 10 0 DDAEMP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc2c1OCC2 ZINC000261845206 163714172 /nfs/dbraw/zinc/71/41/72/163714172.db2.gz AREDJMYCEGVWBX-KZNAEPCWSA-N 2 1 316.445 1.911 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000263161355 163923778 /nfs/dbraw/zinc/92/37/78/163923778.db2.gz DVHPLXZTDGZGQS-AAEUAGOBSA-N 2 1 304.312 1.298 10 0 DDAEMP C[C@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283250 424774311 /nfs/dbraw/zinc/77/43/11/424774311.db2.gz JZFBWQQSJRZNFU-UHOSZYNNSA-N 2 1 316.493 1.390 10 0 DDAEMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283250 424774313 /nfs/dbraw/zinc/77/43/13/424774313.db2.gz JZFBWQQSJRZNFU-UHOSZYNNSA-N 2 1 316.493 1.390 10 0 DDAEMP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@@H]1CCC[NH2+]C1 ZINC000261642504 278111946 /nfs/dbraw/zinc/11/19/46/278111946.db2.gz DITJXQFQEFHYFB-OAHLLOKOSA-N 2 1 309.479 1.994 10 0 DDAEMP CC(=O)NCC[N@H+](Cc1ccc(C)s1)C[C@@H]1CCC[NH2+]C1 ZINC000261642504 278111947 /nfs/dbraw/zinc/11/19/47/278111947.db2.gz DITJXQFQEFHYFB-OAHLLOKOSA-N 2 1 309.479 1.994 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)[nH+]1 ZINC000171638333 281246162 /nfs/dbraw/zinc/24/61/62/281246162.db2.gz IHCXPXCPJCEJFN-HOTGVXAUSA-N 2 1 315.421 1.381 10 0 DDAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C2)[nH+]1 ZINC000171638333 281246164 /nfs/dbraw/zinc/24/61/64/281246164.db2.gz IHCXPXCPJCEJFN-HOTGVXAUSA-N 2 1 315.421 1.381 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000128293752 281306263 /nfs/dbraw/zinc/30/62/63/281306263.db2.gz SGCLXXQPKMEMKJ-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000128293752 281306264 /nfs/dbraw/zinc/30/62/64/281306264.db2.gz SGCLXXQPKMEMKJ-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000128293752 281306267 /nfs/dbraw/zinc/30/62/67/281306267.db2.gz SGCLXXQPKMEMKJ-HZPDHXFCSA-N 2 1 310.486 1.890 10 0 DDAEMP COCCN1CCN(C(=O)[C@H]2NCCc3ccccc32)C[C@@H]1C ZINC000168033018 298217963 /nfs/dbraw/zinc/21/79/63/298217963.db2.gz RSWJEAGFAFKMOV-YOEHRIQHSA-N 2 1 317.433 1.053 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000247470885 300319265 /nfs/dbraw/zinc/31/92/65/300319265.db2.gz RQMFXRXIPSKQQO-HOCLYGCPSA-N 2 1 308.470 1.596 10 0 DDAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261762974 484255476 /nfs/dbraw/zinc/25/54/76/484255476.db2.gz NPMSXKORDPJZLN-IAGOWNOFSA-N 2 1 301.434 1.706 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000262075800 484260994 /nfs/dbraw/zinc/26/09/94/484260994.db2.gz DIGAKFHLRAJAAR-FUHWJXTLSA-N 2 1 313.401 1.331 10 0 DDAEMP O[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975471 534421191 /nfs/dbraw/zinc/42/11/91/534421191.db2.gz GVAKHYMHXOCEAV-QZTJIDSGSA-N 2 1 303.450 1.355 10 0 DDAEMP O[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000422975471 534421197 /nfs/dbraw/zinc/42/11/97/534421197.db2.gz GVAKHYMHXOCEAV-QZTJIDSGSA-N 2 1 303.450 1.355 10 0 DDAEMP CCCCOC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000119184219 696678139 /nfs/dbraw/zinc/67/81/39/696678139.db2.gz ICTBQUSHOCLTNU-CABCVRRESA-N 2 1 314.470 1.743 10 0 DDAEMP CCCCOC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000119184219 696678140 /nfs/dbraw/zinc/67/81/40/696678140.db2.gz ICTBQUSHOCLTNU-CABCVRRESA-N 2 1 314.470 1.743 10 0 DDAEMP [NH3+]CC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000261555716 698427732 /nfs/dbraw/zinc/42/77/32/698427732.db2.gz VDNLKERFTLTUJL-UHFFFAOYSA-N 2 1 317.433 1.086 10 0 DDAEMP Clc1c[nH+]ccc1NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000818626605 703945997 /nfs/dbraw/zinc/94/59/97/703945997.db2.gz CJENHGJYOFUBNS-ZDUSSCGKSA-N 2 1 304.781 1.905 10 0 DDAEMP CCC[C@@H](CC[NH3+])CCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000079244846 185162335 /nfs/dbraw/zinc/16/23/35/185162335.db2.gz QDVBCVDNKXCOSV-CQSZACIVSA-N 2 1 305.488 1.109 10 0 DDAEMP CC[N@H+]1CC[C@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087854744 185233529 /nfs/dbraw/zinc/23/35/29/185233529.db2.gz UORFQFQLBNCGPF-MRVPVSSYSA-N 2 1 315.219 1.278 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301645 282216765 /nfs/dbraw/zinc/21/67/65/282216765.db2.gz DFMYEDSCDMXAGX-GOEBONIOSA-N 2 1 304.438 1.914 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301645 282216769 /nfs/dbraw/zinc/21/67/69/282216769.db2.gz DFMYEDSCDMXAGX-GOEBONIOSA-N 2 1 304.438 1.914 10 0 DDAEMP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000092626614 185329670 /nfs/dbraw/zinc/32/96/70/185329670.db2.gz CGIWGGWOHBSYGN-HNNXBMFYSA-N 2 1 311.451 1.001 10 0 DDAEMP [NH3+][C@H]1CCC[C@@H](C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525694 192283589 /nfs/dbraw/zinc/28/35/89/192283589.db2.gz RUDCTGVBDKBJIS-ZJUUUORDSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@H]1CCC[C@@H](C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525694 192283592 /nfs/dbraw/zinc/28/35/92/192283592.db2.gz RUDCTGVBDKBJIS-ZJUUUORDSA-N 2 1 303.332 1.630 10 0 DDAEMP C[N@H+]1CCC[C@](C[NH3+])(N2CCN(c3nccs3)CC2)CC1 ZINC000086819249 192601667 /nfs/dbraw/zinc/60/16/67/192601667.db2.gz QIAGVAKLAYBYDH-HNNXBMFYSA-N 2 1 309.483 1.078 10 0 DDAEMP C[NH2+]Cc1c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc2sccn12 ZINC000092002214 193139415 /nfs/dbraw/zinc/13/94/15/193139415.db2.gz HGWWTYWUBRKARK-NEPJUHHUSA-N 2 1 305.451 1.788 10 0 DDAEMP CCC[NH2+]C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695713 193291420 /nfs/dbraw/zinc/29/14/20/193291420.db2.gz XROIJDJJDUBDFE-AWEZNQCLSA-N 2 1 317.499 1.122 10 0 DDAEMP COCCC[N@H+](CCOC)[C@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489384 193373818 /nfs/dbraw/zinc/37/38/18/193373818.db2.gz IVLKYSLKAQSBEZ-OAHLLOKOSA-N 2 1 304.500 1.832 10 0 DDAEMP COCCC[N@@H+](CCOC)[C@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489384 193373820 /nfs/dbraw/zinc/37/38/20/193373820.db2.gz IVLKYSLKAQSBEZ-OAHLLOKOSA-N 2 1 304.500 1.832 10 0 DDAEMP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000040716244 183122383 /nfs/dbraw/zinc/12/23/83/183122383.db2.gz MYBAIZOGUXLQNP-GXTWGEPZSA-N 2 1 311.451 1.340 10 0 DDAEMP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040716244 183122384 /nfs/dbraw/zinc/12/23/84/183122384.db2.gz MYBAIZOGUXLQNP-GXTWGEPZSA-N 2 1 311.451 1.340 10 0 DDAEMP COC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915739 194167662 /nfs/dbraw/zinc/16/76/62/194167662.db2.gz CXGBWUZENVDGPO-KRWDZBQOSA-N 2 1 320.433 1.537 10 0 DDAEMP COC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915739 194167664 /nfs/dbraw/zinc/16/76/64/194167664.db2.gz CXGBWUZENVDGPO-KRWDZBQOSA-N 2 1 320.433 1.537 10 0 DDAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1C[C@@H](C)O ZINC000110031095 194304023 /nfs/dbraw/zinc/30/40/23/194304023.db2.gz CVHGYFOFKZHNIE-GDBMZVCRSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1C[C@@H](C)O ZINC000110031095 194304025 /nfs/dbraw/zinc/30/40/25/194304025.db2.gz CVHGYFOFKZHNIE-GDBMZVCRSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C)C1CCCC1 ZINC000177490398 285235419 /nfs/dbraw/zinc/23/54/19/285235419.db2.gz YAKZVVDFZFQUPJ-MRXNPFEDSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000177490398 285235420 /nfs/dbraw/zinc/23/54/20/285235420.db2.gz YAKZVVDFZFQUPJ-MRXNPFEDSA-N 2 1 310.486 1.987 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000177490398 285235422 /nfs/dbraw/zinc/23/54/22/285235422.db2.gz YAKZVVDFZFQUPJ-MRXNPFEDSA-N 2 1 310.486 1.987 10 0 DDAEMP C[NH+](C)CCN1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000248061463 257110229 /nfs/dbraw/zinc/11/02/29/257110229.db2.gz YZPABFKWOHDFQF-DLBZAZTESA-N 2 1 307.413 1.272 10 0 DDAEMP C[NH+](C)CCN1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000248061463 257110231 /nfs/dbraw/zinc/11/02/31/257110231.db2.gz YZPABFKWOHDFQF-DLBZAZTESA-N 2 1 307.413 1.272 10 0 DDAEMP C[NH+](C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C3CCC3)O2)no1 ZINC000077262457 257215332 /nfs/dbraw/zinc/21/53/32/257215332.db2.gz PMFSQXUBCBJJAH-BHYGNILZSA-N 2 1 323.437 1.329 10 0 DDAEMP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817067 407626071 /nfs/dbraw/zinc/62/60/71/407626071.db2.gz RZMHHXCQOALSJX-OIISXLGYSA-N 2 1 303.450 1.821 10 0 DDAEMP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261817067 407626075 /nfs/dbraw/zinc/62/60/75/407626075.db2.gz RZMHHXCQOALSJX-OIISXLGYSA-N 2 1 303.450 1.821 10 0 DDAEMP CN1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000171286405 407649486 /nfs/dbraw/zinc/64/94/86/407649486.db2.gz MPNHDMJFGRMUTM-IRXDYDNUSA-N 2 1 317.433 1.098 10 0 DDAEMP CN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000171286405 407649493 /nfs/dbraw/zinc/64/94/93/407649493.db2.gz MPNHDMJFGRMUTM-IRXDYDNUSA-N 2 1 317.433 1.098 10 0 DDAEMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261890290 407656661 /nfs/dbraw/zinc/65/66/61/407656661.db2.gz GKODMTUGBXNOTQ-BRWVUGGUSA-N 2 1 317.433 1.293 10 0 DDAEMP CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261962623 407691651 /nfs/dbraw/zinc/69/16/51/407691651.db2.gz PKORBGQYZPUUSS-GJZGRUSLSA-N 2 1 321.469 1.699 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCCc3ccc(F)cc3)C[C@H]12 ZINC000262393448 407821884 /nfs/dbraw/zinc/82/18/84/407821884.db2.gz BNTOJAXNZZNRDW-VNQPRFMTSA-N 2 1 305.397 1.154 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(F)cc3)C[C@H]12 ZINC000262393448 407821890 /nfs/dbraw/zinc/82/18/90/407821890.db2.gz BNTOJAXNZZNRDW-VNQPRFMTSA-N 2 1 305.397 1.154 10 0 DDAEMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262509491 407852601 /nfs/dbraw/zinc/85/26/01/407852601.db2.gz MVQZGEXWURSBCV-BPUTZDHNSA-N 2 1 323.462 1.106 10 0 DDAEMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262509491 407852604 /nfs/dbraw/zinc/85/26/04/407852604.db2.gz MVQZGEXWURSBCV-BPUTZDHNSA-N 2 1 323.462 1.106 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245445283 407982169 /nfs/dbraw/zinc/98/21/69/407982169.db2.gz YSKZZZRJWLVOLT-GJZGRUSLSA-N 2 1 311.470 1.020 10 0 DDAEMP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245445283 407982178 /nfs/dbraw/zinc/98/21/78/407982178.db2.gz YSKZZZRJWLVOLT-GJZGRUSLSA-N 2 1 311.470 1.020 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000245458771 407989500 /nfs/dbraw/zinc/98/95/00/407989500.db2.gz DBHBMKPEWCDIPS-GOEBONIOSA-N 2 1 321.469 1.953 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000245458771 407989507 /nfs/dbraw/zinc/98/95/07/407989507.db2.gz DBHBMKPEWCDIPS-GOEBONIOSA-N 2 1 321.469 1.953 10 0 DDAEMP CC(C)N1CC[C@@H]([N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000175191394 408074830 /nfs/dbraw/zinc/07/48/30/408074830.db2.gz XFOVWNJCAZNSBS-GDBMZVCRSA-N 2 1 311.470 1.020 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000263251846 408075289 /nfs/dbraw/zinc/07/52/89/408075289.db2.gz QAQNDDRTLWUOPS-NOZJJQNGSA-N 2 1 308.332 1.025 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000246189449 408169190 /nfs/dbraw/zinc/16/91/90/408169190.db2.gz MJJLYYQDSHIUFK-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP c1cnnc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000246278148 408200839 /nfs/dbraw/zinc/20/08/39/408200839.db2.gz BGZLWJFMASFQOQ-HRCADAONSA-N 2 1 301.438 1.662 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000176170289 408300355 /nfs/dbraw/zinc/30/03/55/408300355.db2.gz OCQIRLQLDHVUEE-INIZCTEOSA-N 2 1 310.486 1.988 10 0 DDAEMP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171906032 162245655 /nfs/dbraw/zinc/24/56/55/162245655.db2.gz KDQFAPWHGPJVSA-MRXNPFEDSA-N 2 1 308.470 1.741 10 0 DDAEMP C(CCN1CC[N@H+]2CCC[C@@H]2C1)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000172656220 162291911 /nfs/dbraw/zinc/29/19/11/162291911.db2.gz ILZOATBZKXFVPR-QZTJIDSGSA-N 2 1 306.498 1.327 10 0 DDAEMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247511998 408482945 /nfs/dbraw/zinc/48/29/45/408482945.db2.gz PWOKUKGBKMNSNI-IRXDYDNUSA-N 2 1 316.449 1.779 10 0 DDAEMP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000194149559 408767701 /nfs/dbraw/zinc/76/77/01/408767701.db2.gz JIBUPHYNCBFYQP-OAHLLOKOSA-N 2 1 319.453 1.976 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCNc2ccc(C)c[nH+]2)C1 ZINC000194149559 408767707 /nfs/dbraw/zinc/76/77/07/408767707.db2.gz JIBUPHYNCBFYQP-OAHLLOKOSA-N 2 1 319.453 1.976 10 0 DDAEMP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309571649 418590153 /nfs/dbraw/zinc/59/01/53/418590153.db2.gz GPYHHOLXVJQWBS-ULQDDVLXSA-N 2 1 301.434 1.752 10 0 DDAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390935890 418756723 /nfs/dbraw/zinc/75/67/23/418756723.db2.gz NDGJPZAANRKIDG-GDBMZVCRSA-N 2 1 305.422 1.002 10 0 DDAEMP C[C@H](O)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637910997 422467477 /nfs/dbraw/zinc/46/74/77/422467477.db2.gz RXRGSIXMYGZMOE-HNNXBMFYSA-N 2 1 319.449 1.257 10 0 DDAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719870 422583518 /nfs/dbraw/zinc/58/35/18/422583518.db2.gz ATRNOFPMJBLSSL-FUHWJXTLSA-N 2 1 306.450 1.620 10 0 DDAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719870 422583523 /nfs/dbraw/zinc/58/35/23/422583523.db2.gz ATRNOFPMJBLSSL-FUHWJXTLSA-N 2 1 306.450 1.620 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000105862510 274267724 /nfs/dbraw/zinc/26/77/24/274267724.db2.gz VXLVFUWLXZMODB-VQIMIIECSA-N 2 1 320.477 1.615 10 0 DDAEMP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@H]1CCC[NH2+]C1 ZINC000261642501 278112425 /nfs/dbraw/zinc/11/24/25/278112425.db2.gz DITJXQFQEFHYFB-HNNXBMFYSA-N 2 1 309.479 1.994 10 0 DDAEMP CC(=O)NCC[N@H+](Cc1ccc(C)s1)C[C@H]1CCC[NH2+]C1 ZINC000261642501 278112426 /nfs/dbraw/zinc/11/24/26/278112426.db2.gz DITJXQFQEFHYFB-HNNXBMFYSA-N 2 1 309.479 1.994 10 0 DDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246855442 297095877 /nfs/dbraw/zinc/09/58/77/297095877.db2.gz DIECJDIZAONFQZ-NCXUSEDFSA-N 2 1 320.525 1.714 10 0 DDAEMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479286 302369822 /nfs/dbraw/zinc/36/98/22/302369822.db2.gz VUFDNEPJEVQYGD-QXAKKESOSA-N 2 1 317.477 1.865 10 0 DDAEMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479286 302369825 /nfs/dbraw/zinc/36/98/25/302369825.db2.gz VUFDNEPJEVQYGD-QXAKKESOSA-N 2 1 317.477 1.865 10 0 DDAEMP O[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390851195 483981251 /nfs/dbraw/zinc/98/12/51/483981251.db2.gz IIKZHCAAUDAQLL-OOHRUWKFSA-N 2 1 302.418 1.531 10 0 DDAEMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1)C(C)C ZINC000262202568 484264995 /nfs/dbraw/zinc/26/49/95/484264995.db2.gz IFZRMKRXOXUVJT-IRXDYDNUSA-N 2 1 319.449 1.227 10 0 DDAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@H]1C(C)C ZINC000888097822 709212612 /nfs/dbraw/zinc/21/26/12/709212612.db2.gz QAGRBXKKHKPNSA-BRSBDYLESA-N 2 1 308.466 1.793 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000092626699 185329984 /nfs/dbraw/zinc/32/99/84/185329984.db2.gz IMQLXXYJMWHYPU-AWEZNQCLSA-N 2 1 311.451 1.250 10 0 DDAEMP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000092633781 185330337 /nfs/dbraw/zinc/33/03/37/185330337.db2.gz NDQRZPGNYVMYDY-OCCSQVGLSA-N 2 1 311.451 1.421 10 0 DDAEMP C[NH2+]Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000092679657 185333579 /nfs/dbraw/zinc/33/35/79/185333579.db2.gz YHWDDHVIUAGPJU-AWEZNQCLSA-N 2 1 311.451 1.121 10 0 DDAEMP C[C@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000261622617 290798613 /nfs/dbraw/zinc/79/86/13/290798613.db2.gz BASSJAVJSMGFBM-BYNSBNAKSA-N 2 1 311.470 1.365 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3nccn32)CC1 ZINC000180093911 199116794 /nfs/dbraw/zinc/11/67/94/199116794.db2.gz MEQDGSNISVNTMM-HNNXBMFYSA-N 2 1 316.449 1.859 10 0 DDAEMP CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000043051512 183332836 /nfs/dbraw/zinc/33/28/36/183332836.db2.gz XMVUWZXYSUMISB-JKSUJKDBSA-N 2 1 311.857 1.728 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](CC)CCOCC)C(N)=O ZINC000111122198 194393317 /nfs/dbraw/zinc/39/33/17/194393317.db2.gz JYVDOXWLOTWUMT-INIZCTEOSA-N 2 1 301.475 1.759 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245927552 285265977 /nfs/dbraw/zinc/26/59/77/285265977.db2.gz HVMFJKAPXRHUPR-HRCADAONSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245927552 285265978 /nfs/dbraw/zinc/26/59/78/285265978.db2.gz HVMFJKAPXRHUPR-HRCADAONSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245927552 285265979 /nfs/dbraw/zinc/26/59/79/285265979.db2.gz HVMFJKAPXRHUPR-HRCADAONSA-N 2 1 308.470 1.596 10 0 DDAEMP c1cncc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000253596298 257105250 /nfs/dbraw/zinc/10/52/50/257105250.db2.gz POUCMKAZIIYYGZ-KURKYZTESA-N 2 1 317.433 1.251 10 0 DDAEMP c1cncc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000253596298 257105251 /nfs/dbraw/zinc/10/52/51/257105251.db2.gz POUCMKAZIIYYGZ-KURKYZTESA-N 2 1 317.433 1.251 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000178732225 407570334 /nfs/dbraw/zinc/57/03/34/407570334.db2.gz HTCZBGVGHHFKFO-IAGOWNOFSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000178732225 407570336 /nfs/dbraw/zinc/57/03/36/407570336.db2.gz HTCZBGVGHHFKFO-IAGOWNOFSA-N 2 1 322.497 1.844 10 0 DDAEMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000178732225 407570338 /nfs/dbraw/zinc/57/03/38/407570338.db2.gz HTCZBGVGHHFKFO-IAGOWNOFSA-N 2 1 322.497 1.844 10 0 DDAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)C[C@H]1c1ccccc1 ZINC000261601113 407548890 /nfs/dbraw/zinc/54/88/90/407548890.db2.gz AAXXJRXWMHZOBR-WBVHZDCISA-N 2 1 307.401 1.904 10 0 DDAEMP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc2c1OCC2 ZINC000261845202 407638682 /nfs/dbraw/zinc/63/86/82/407638682.db2.gz AREDJMYCEGVWBX-KURKYZTESA-N 2 1 316.445 1.911 10 0 DDAEMP Fc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261871959 407650285 /nfs/dbraw/zinc/65/02/85/407650285.db2.gz DHBHOZPJNWLJIW-ZACQAIPSSA-N 2 1 308.397 1.951 10 0 DDAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063774 407729823 /nfs/dbraw/zinc/72/98/23/407729823.db2.gz AOWLUYLOTVALOX-WBVHZDCISA-N 2 1 303.450 1.778 10 0 DDAEMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000152975126 407727116 /nfs/dbraw/zinc/72/71/16/407727116.db2.gz LAEMDROLMUKZAD-OAHLLOKOSA-N 2 1 318.421 1.587 10 0 DDAEMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000152975126 407727121 /nfs/dbraw/zinc/72/71/21/407727121.db2.gz LAEMDROLMUKZAD-OAHLLOKOSA-N 2 1 318.421 1.587 10 0 DDAEMP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117469116 407838751 /nfs/dbraw/zinc/83/87/51/407838751.db2.gz BEXIBYZGHNBUQB-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117469116 407838756 /nfs/dbraw/zinc/83/87/56/407838756.db2.gz BEXIBYZGHNBUQB-OAHLLOKOSA-N 2 1 314.474 1.080 10 0 DDAEMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000117490718 407838783 /nfs/dbraw/zinc/83/87/83/407838783.db2.gz PMEGAJJVMIPWMJ-HUUCEWRRSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CCOC)[C@H](C)C1 ZINC000117490718 407838788 /nfs/dbraw/zinc/83/87/88/407838788.db2.gz PMEGAJJVMIPWMJ-HUUCEWRRSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117490718 407838795 /nfs/dbraw/zinc/83/87/95/407838795.db2.gz PMEGAJJVMIPWMJ-HUUCEWRRSA-N 2 1 314.474 1.079 10 0 DDAEMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117490718 407838801 /nfs/dbraw/zinc/83/88/01/407838801.db2.gz PMEGAJJVMIPWMJ-HUUCEWRRSA-N 2 1 314.474 1.079 10 0 DDAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@](C)(O)c1ccccc1 ZINC000119289294 408033079 /nfs/dbraw/zinc/03/30/79/408033079.db2.gz VETTZAAWRPUETD-GOSISDBHSA-N 2 1 305.466 1.463 10 0 DDAEMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263253715 408075493 /nfs/dbraw/zinc/07/54/93/408075493.db2.gz QGTCZFAJAKJGRL-LRDDRELGSA-N 2 1 320.824 1.504 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246338716 408222216 /nfs/dbraw/zinc/22/22/16/408222216.db2.gz KZTVISGQZHNSFF-DLBZAZTESA-N 2 1 301.434 1.466 10 0 DDAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246338716 408222219 /nfs/dbraw/zinc/22/22/19/408222219.db2.gz KZTVISGQZHNSFF-DLBZAZTESA-N 2 1 301.434 1.466 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000176374437 408351747 /nfs/dbraw/zinc/35/17/47/408351747.db2.gz TWFIUXVNLVXRCN-AWEZNQCLSA-N 2 1 322.457 1.393 10 0 DDAEMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)[nH+]c1 ZINC000170855644 162195636 /nfs/dbraw/zinc/19/56/36/162195636.db2.gz FSSYSPJHHBOPBU-INIZCTEOSA-N 2 1 316.449 1.769 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247335142 408452256 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1.838 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000178286356 408799009 /nfs/dbraw/zinc/79/90/09/408799009.db2.gz UVUZQQVEASWCFP-BPUTZDHNSA-N 2 1 320.437 1.340 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000178286356 408799010 /nfs/dbraw/zinc/79/90/10/408799010.db2.gz UVUZQQVEASWCFP-BPUTZDHNSA-N 2 1 320.437 1.340 10 0 DDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000192742182 163235819 /nfs/dbraw/zinc/23/58/19/163235819.db2.gz PEIBSWVYNIWNIW-KRWDZBQOSA-N 2 1 319.497 1.626 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000193505954 163258099 /nfs/dbraw/zinc/25/80/99/163258099.db2.gz PFXJSXGHEUBXGA-PVAVHDDUSA-N 2 1 323.481 1.475 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245659669 287220509 /nfs/dbraw/zinc/22/05/09/287220509.db2.gz CZGCHIMLUDHCJG-GVDBMIGSSA-N 2 1 322.497 1.987 10 0 DDAEMP 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276363320 /nfs/dbraw/zinc/36/33/20/276363320.db2.gz LLEULJFVTDRIJZ-BZUAXINKSA-N 2 1 308.470 1.739 10 0 DDAEMP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000261670859 278269546 /nfs/dbraw/zinc/26/95/46/278269546.db2.gz BVYKZSUJKSRFJR-AWEZNQCLSA-N 2 1 317.433 1.057 10 0 DDAEMP C[C@H](C(N)=O)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862787 289393024 /nfs/dbraw/zinc/39/30/24/289393024.db2.gz KCSSXSBDFACZTI-PBHICJAKSA-N 2 1 319.449 1.238 10 0 DDAEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263330360 290392910 /nfs/dbraw/zinc/39/29/10/290392910.db2.gz UUHVVALFPKROPH-AWEZNQCLSA-N 2 1 301.434 1.897 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248845964 698381741 /nfs/dbraw/zinc/38/17/41/698381741.db2.gz NDKYQKQEOKZLSS-GDBMZVCRSA-N 2 1 324.465 1.497 10 0 DDAEMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261974287 698448554 /nfs/dbraw/zinc/44/85/54/698448554.db2.gz QVMDXIURYRFESZ-BRSBDYLESA-N 2 1 320.433 1.475 10 0 DDAEMP COCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000888097609 709212572 /nfs/dbraw/zinc/21/25/72/709212572.db2.gz KWEYVNPOCKPKLU-TVFCKZIOSA-N 2 1 322.449 1.995 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCC[NH2+]C(C)C ZINC000092634038 185330236 /nfs/dbraw/zinc/33/02/36/185330236.db2.gz QGSSYDYLNCHZNV-CQSZACIVSA-N 2 1 305.488 1.120 10 0 DDAEMP CC[NH2+][C@@H](C)CCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533842 192284424 /nfs/dbraw/zinc/28/44/24/192284424.db2.gz BWFULAUGXVBDBO-JTQLQIEISA-N 2 1 305.348 1.891 10 0 DDAEMP CC[NH2+][C@@H](C)CCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081533842 192284427 /nfs/dbraw/zinc/28/44/27/192284427.db2.gz BWFULAUGXVBDBO-JTQLQIEISA-N 2 1 305.348 1.891 10 0 DDAEMP C[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@@H+](CCCOC)CCOC ZINC000093617543 193275310 /nfs/dbraw/zinc/27/53/10/193275310.db2.gz WLSALFBZJQUZKX-HZPDHXFCSA-N 2 1 302.459 1.112 10 0 DDAEMP O=C(C[N@@H+](CC1CC[NH2+]CC1)C1CC1)NCc1cccs1 ZINC000094026411 193339981 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ZINC000245663421 408039151 /nfs/dbraw/zinc/03/91/51/408039151.db2.gz DLVYINZFQFSGEJ-WBVHZDCISA-N 2 1 320.481 1.881 10 0 DDAEMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000263177644 408047397 /nfs/dbraw/zinc/04/73/97/408047397.db2.gz GHZNFPUMESYRMU-RYUDHWBXSA-N 2 1 316.348 1.357 10 0 DDAEMP CCSCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000119179919 408009236 /nfs/dbraw/zinc/00/92/36/408009236.db2.gz MJEPFMNVTYMTSF-INIZCTEOSA-N 2 1 315.527 1.466 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245591076 408020420 /nfs/dbraw/zinc/02/04/20/408020420.db2.gz BBRAGOJGTFVJHB-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000245591076 408020427 /nfs/dbraw/zinc/02/04/27/408020427.db2.gz BBRAGOJGTFVJHB-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000245591076 408020432 /nfs/dbraw/zinc/02/04/32/408020432.db2.gz BBRAGOJGTFVJHB-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000246795037 408341471 /nfs/dbraw/zinc/34/14/71/408341471.db2.gz BPYDKJSXJXEFTK-PBHICJAKSA-N 2 1 320.481 1.739 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000246815614 408347611 /nfs/dbraw/zinc/34/76/11/408347611.db2.gz DJBPNNYKRIPGDN-CVEARBPZSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000246815614 408347619 /nfs/dbraw/zinc/34/76/19/408347619.db2.gz DJBPNNYKRIPGDN-CVEARBPZSA-N 2 1 310.486 1.748 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000246815614 408347625 /nfs/dbraw/zinc/34/76/25/408347625.db2.gz DJBPNNYKRIPGDN-CVEARBPZSA-N 2 1 310.486 1.748 10 0 DDAEMP O=C(NCCC[NH+]1CCCCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171596017 162228532 /nfs/dbraw/zinc/22/85/32/162228532.db2.gz SUVKWJSBNVVDKE-INIZCTEOSA-N 2 1 308.470 1.742 10 0 DDAEMP 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WGPPXKBVQWRWQB-HZPDHXFCSA-N 2 1 311.470 1.334 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000247482766 408477978 /nfs/dbraw/zinc/47/79/78/408477978.db2.gz WGPPXKBVQWRWQB-HZPDHXFCSA-N 2 1 311.470 1.334 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249825491 408767954 /nfs/dbraw/zinc/76/79/54/408767954.db2.gz KBHXKSICQHTYST-YVSFHVDLSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249825491 408767956 /nfs/dbraw/zinc/76/79/56/408767956.db2.gz KBHXKSICQHTYST-YVSFHVDLSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249825491 408767960 /nfs/dbraw/zinc/76/79/60/408767960.db2.gz KBHXKSICQHTYST-YVSFHVDLSA-N 2 1 323.481 1.427 10 0 DDAEMP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249825491 408767962 /nfs/dbraw/zinc/76/79/62/408767962.db2.gz KBHXKSICQHTYST-YVSFHVDLSA-N 2 1 323.481 1.427 10 0 DDAEMP CCOC(=O)C1CCC(O)(C[N@@H+](C)CCCn2ccnc2)CC1 ZINC000191013796 222094378 /nfs/dbraw/zinc/09/43/78/222094378.db2.gz FKULXZGPZRZUJN-UHFFFAOYSA-N 2 1 323.437 1.689 10 0 DDAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390778447 418755083 /nfs/dbraw/zinc/75/50/83/418755083.db2.gz PAZRYWZKYYXSLO-DLBZAZTESA-N 2 1 303.450 1.998 10 0 DDAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393636275 418758769 /nfs/dbraw/zinc/75/87/69/418758769.db2.gz VGPOOHVSJMXJBS-YESZJQIVSA-N 2 1 301.434 1.752 10 0 DDAEMP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106902894 276186331 /nfs/dbraw/zinc/18/63/31/276186331.db2.gz QWINPZCNPGWMHX-DLBZAZTESA-N 2 1 303.450 1.760 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106902894 276186332 /nfs/dbraw/zinc/18/63/32/276186332.db2.gz QWINPZCNPGWMHX-DLBZAZTESA-N 2 1 303.450 1.760 10 0 DDAEMP Cc1ccccc1N1CCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000107000240 281346663 /nfs/dbraw/zinc/34/66/63/281346663.db2.gz SECQKEZMQUOWDD-GOSISDBHSA-N 2 1 303.450 1.622 10 0 DDAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000246829709 290106932 /nfs/dbraw/zinc/10/69/32/290106932.db2.gz KXBGPMDXOZAWNH-QRJUGERDSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000246829709 290106936 /nfs/dbraw/zinc/10/69/36/290106936.db2.gz KXBGPMDXOZAWNH-QRJUGERDSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000246829709 290106939 /nfs/dbraw/zinc/10/69/39/290106939.db2.gz KXBGPMDXOZAWNH-QRJUGERDSA-N 2 1 311.470 1.161 10 0 DDAEMP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000246829709 290106941 /nfs/dbraw/zinc/10/69/41/290106941.db2.gz KXBGPMDXOZAWNH-QRJUGERDSA-N 2 1 311.470 1.161 10 0 DDAEMP CC(C)COC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181451609 697460809 /nfs/dbraw/zinc/46/08/09/697460809.db2.gz XYCGXMDCMUVAHI-CQSZACIVSA-N 2 1 300.443 1.210 10 0 DDAEMP CC(C)COC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181451609 697460811 /nfs/dbraw/zinc/46/08/11/697460811.db2.gz XYCGXMDCMUVAHI-CQSZACIVSA-N 2 1 300.443 1.210 10 0 DDAEMP C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000092633796 185330374 /nfs/dbraw/zinc/33/03/74/185330374.db2.gz MEWUHVGPFDIQMI-JSGCOSHPSA-N 2 1 311.451 1.421 10 0 DDAEMP CN(C)c1cccc2c1CN(CCC[NH+]1CCOCC1)[C@@H]2C[NH3+] ZINC000071683409 191006706 /nfs/dbraw/zinc/00/67/06/191006706.db2.gz AAAKRMWIEMJAEX-GOSISDBHSA-N 2 1 318.465 1.290 10 0 DDAEMP Cc1cc(C)n(-c2nc(C[NH2+]CC3CC[NH2+]CC3)cc(=O)[nH]2)n1 ZINC000073696249 191342593 /nfs/dbraw/zinc/34/25/93/191342593.db2.gz FYGXTGPJUBTEHW-UHFFFAOYSA-N 2 1 316.409 1.074 10 0 DDAEMP [NH3+][C@H]1CCC[C@H](C[N@@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525691 192283193 /nfs/dbraw/zinc/28/31/93/192283193.db2.gz RUDCTGVBDKBJIS-UWVGGRQHSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@H]1CCC[C@H](C[N@H+]2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC000081525691 192283198 /nfs/dbraw/zinc/28/31/98/192283198.db2.gz RUDCTGVBDKBJIS-UWVGGRQHSA-N 2 1 303.332 1.630 10 0 DDAEMP Cc1csc(NC(=O)C[N@@H+](CC2CC[NH2+]CC2)C2CC2)n1 ZINC000094042570 193340663 /nfs/dbraw/zinc/34/06/63/193340663.db2.gz UMMULOFYSTZETD-UHFFFAOYSA-N 2 1 308.451 1.854 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2ccccc2F)CC1 ZINC000105862561 194149698 /nfs/dbraw/zinc/14/96/98/194149698.db2.gz CISZYARPVJXDDD-KDOFPFPSSA-N 2 1 324.440 1.884 10 0 DDAEMP COC(=O)c1coc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000105862764 194150205 /nfs/dbraw/zinc/15/02/05/194150205.db2.gz VERSHUXIXJBBGW-ZDUSSCGKSA-N 2 1 324.421 1.591 10 0 DDAEMP Cc1noc(C)c1C[N@H+]1C[C@@H]2OC[C@H](C[NH+]3CCCC3)[C@@H]2C1 ZINC000252015610 257106437 /nfs/dbraw/zinc/10/64/37/257106437.db2.gz VKNVVRDRJFUFCL-XIRDDKMYSA-N 2 1 305.422 1.834 10 0 DDAEMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCOCC2 ZINC000186242070 407617919 /nfs/dbraw/zinc/61/79/19/407617919.db2.gz YVZPQCXBZWCHMY-CVEARBPZSA-N 2 1 314.470 1.519 10 0 DDAEMP CC1CC[NH+](C[C@H]2CCCN(Cc3noc(C[NH3+])n3)C2)CC1 ZINC000261847075 407640453 /nfs/dbraw/zinc/64/04/53/407640453.db2.gz UYNPZWWRMMLURC-CQSZACIVSA-N 2 1 307.442 1.472 10 0 DDAEMP c1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)O2 ZINC000261960135 407692997 /nfs/dbraw/zinc/69/29/97/407692997.db2.gz PNBRHHUDHPVLBU-CAOSSQGBSA-N 2 1 318.417 1.573 10 0 DDAEMP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000262007106 407706579 /nfs/dbraw/zinc/70/65/79/407706579.db2.gz VFHQRIDOPCCRRX-BRWVUGGUSA-N 2 1 318.465 1.509 10 0 DDAEMP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262043616 407723973 /nfs/dbraw/zinc/72/39/73/407723973.db2.gz YWIGFNRCTKLLLF-KZNAEPCWSA-N 3 1 309.498 1.855 10 0 DDAEMP CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000236692226 407752624 /nfs/dbraw/zinc/75/26/24/407752624.db2.gz XQZKEEFEFVZQMK-XHSDSOJGSA-N 2 1 311.470 1.367 10 0 DDAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262091742 407737443 /nfs/dbraw/zinc/73/74/43/407737443.db2.gz UMGSDDVPNATWNV-ZFWWWQNUSA-N 2 1 311.470 1.367 10 0 DDAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134583 407747533 /nfs/dbraw/zinc/74/75/33/407747533.db2.gz YNUNNMXOYYOLBX-ROUUACIJSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134583 407747541 /nfs/dbraw/zinc/74/75/41/407747541.db2.gz YNUNNMXOYYOLBX-ROUUACIJSA-N 2 1 302.466 1.835 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134583 407747545 /nfs/dbraw/zinc/74/75/45/407747545.db2.gz YNUNNMXOYYOLBX-ROUUACIJSA-N 3 1 302.466 1.835 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262258747 407779490 /nfs/dbraw/zinc/77/94/90/407779490.db2.gz JGRPESSVJRPGCC-CZUORRHYSA-N 2 1 305.422 1.973 10 0 DDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357312 407809707 /nfs/dbraw/zinc/80/97/07/407809707.db2.gz VDQODQABHPKMBK-GAWIIXIKSA-N 2 1 305.466 1.835 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000174577601 407966527 /nfs/dbraw/zinc/96/65/27/407966527.db2.gz RXTMQJRIHDGBFV-GDBMZVCRSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](CC)C1CC1 ZINC000174577601 407966531 /nfs/dbraw/zinc/96/65/31/407966531.db2.gz RXTMQJRIHDGBFV-GDBMZVCRSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000174577601 407966535 /nfs/dbraw/zinc/96/65/35/407966535.db2.gz RXTMQJRIHDGBFV-GDBMZVCRSA-N 2 1 308.470 1.739 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000263217334 408061684 /nfs/dbraw/zinc/06/16/84/408061684.db2.gz LBPDIQYKEQIKEV-JOYOIKCWSA-N 2 1 303.175 1.258 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000263223104 408063919 /nfs/dbraw/zinc/06/39/19/408063919.db2.gz MGXQTRMEVHRLFD-QZTJIDSGSA-N 2 1 312.413 1.936 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000263236106 408071095 /nfs/dbraw/zinc/07/10/95/408071095.db2.gz OAVCUENOELTXPL-FZMZJTMJSA-N 2 1 306.797 1.400 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000263317812 408104982 /nfs/dbraw/zinc/10/49/82/408104982.db2.gz ZSMXDAJXOXIWDX-IEBWSBKVSA-N 2 1 312.413 1.936 10 0 DDAEMP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)n1 ZINC000173920927 162377359 /nfs/dbraw/zinc/37/73/59/162377359.db2.gz UAOIMQSJVMEJLT-CQSZACIVSA-N 2 1 320.441 1.147 10 0 DDAEMP Cc1cccc2c(NC[C@@H](O)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000185253441 408787133 /nfs/dbraw/zinc/78/71/33/408787133.db2.gz YREIVGAMQSFLMR-OAHLLOKOSA-N 2 1 315.417 1.957 10 0 DDAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648811 422533153 /nfs/dbraw/zinc/53/31/53/422533153.db2.gz ZLGOOXONHCEBOY-MOPGFXCFSA-N 2 1 317.477 1.507 10 0 DDAEMP CN(C[C@@H]1CC[NH+](C)C1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648811 422533158 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CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000182441251 279318960 /nfs/dbraw/zinc/31/89/60/279318960.db2.gz HVMFJKAPXRHUPR-JYJNAYRXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000182441251 279318965 /nfs/dbraw/zinc/31/89/65/279318965.db2.gz HVMFJKAPXRHUPR-JYJNAYRXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1C[C@H](C)O ZINC000246507471 280385782 /nfs/dbraw/zinc/38/57/82/280385782.db2.gz QFQFPAKJEWILRN-XJKSGUPXSA-N 2 1 305.422 1.063 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1C[C@H](C)O ZINC000246994176 282027976 /nfs/dbraw/zinc/02/79/76/282027976.db2.gz VIZRYSXDHQUVEL-XHSDSOJGSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2CC)CC[N@H+]1C[C@H](C)O ZINC000246994176 282027980 /nfs/dbraw/zinc/02/79/80/282027980.db2.gz VIZRYSXDHQUVEL-XHSDSOJGSA-N 2 1 311.470 1.164 10 0 DDAEMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1C[C@H](C)O ZINC000246994176 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/nfs/dbraw/zinc/28/63/40/408286340.db2.gz WRRNDMDCERGCHG-CVEARBPZSA-N 2 1 308.470 1.598 10 0 DDAEMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246533513 408286345 /nfs/dbraw/zinc/28/63/45/408286345.db2.gz WRRNDMDCERGCHG-CVEARBPZSA-N 2 1 308.470 1.598 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000246803414 408346024 /nfs/dbraw/zinc/34/60/24/408346024.db2.gz DCHPZJAXPKNRPG-CVEARBPZSA-N 2 1 310.486 1.746 10 0 DDAEMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588730 162227895 /nfs/dbraw/zinc/22/78/95/162227895.db2.gz UDZLYQONVJZSER-RRFJBIMHSA-N 2 1 313.486 1.314 10 0 DDAEMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000247219821 408429113 /nfs/dbraw/zinc/42/91/13/408429113.db2.gz YJEWLLNJUANVBF-XHSDSOJGSA-N 2 1 308.470 1.739 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247503726 408484268 /nfs/dbraw/zinc/48/42/68/408484268.db2.gz VGZOQQJXEBDGDD-WBVHZDCISA-N 2 1 322.497 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ZINC000261545748 484252488 /nfs/dbraw/zinc/25/24/88/484252488.db2.gz KIDNNGMTJGOPKH-UAGQMJEPSA-N 2 1 317.433 1.002 10 0 DDAEMP C[C@H](NC(=O)[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545748 484252493 /nfs/dbraw/zinc/25/24/93/484252493.db2.gz KIDNNGMTJGOPKH-UAGQMJEPSA-N 2 1 317.433 1.002 10 0 DDAEMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262049903 698452357 /nfs/dbraw/zinc/45/23/57/698452357.db2.gz ZOEJJGRVDSAWAI-MXASKKJJSA-N 2 1 320.433 1.475 10 0 DDAEMP COc1cc(OC)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000262395622 698467982 /nfs/dbraw/zinc/46/79/82/698467982.db2.gz BUGAGXLSRMSXOE-NJZAAPMLSA-N 2 1 306.406 1.882 10 0 DDAEMP COc1cc(OC)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000262395622 698467983 /nfs/dbraw/zinc/46/79/83/698467983.db2.gz BUGAGXLSRMSXOE-NJZAAPMLSA-N 2 1 306.406 1.882 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1CC[NH3+] ZINC000092678832 185333387 /nfs/dbraw/zinc/33/33/87/185333387.db2.gz QDBWVFHIRKXWDF-GFCCVEGCSA-N 2 1 307.467 1.818 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000105862189 194148567 /nfs/dbraw/zinc/14/85/67/194148567.db2.gz LHNAKHSFKVDJEQ-HNNXBMFYSA-N 2 1 319.449 1.650 10 0 DDAEMP CC[C@H](CC[NH3+])[N@@H+]1CCCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000111071305 194388641 /nfs/dbraw/zinc/38/86/41/194388641.db2.gz BSSIRVVHUABCTQ-CYBMUJFWSA-N 2 1 305.488 1.250 10 0 DDAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000111071305 194388643 /nfs/dbraw/zinc/38/86/43/194388643.db2.gz BSSIRVVHUABCTQ-CYBMUJFWSA-N 2 1 305.488 1.250 10 0 DDAEMP CCCN[C@@](C)(CC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145349 194395298 /nfs/dbraw/zinc/39/52/98/194395298.db2.gz IXJWTECBZJHDRN-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CCCN[C@@](C)(CC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145349 194395301 /nfs/dbraw/zinc/39/53/01/194395301.db2.gz IXJWTECBZJHDRN-INIZCTEOSA-N 2 1 301.475 1.581 10 0 DDAEMP CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000119730320 195026487 /nfs/dbraw/zinc/02/64/87/195026487.db2.gz VUSXWLGFMBVRLW-OAHLLOKOSA-N 2 1 310.486 1.987 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000105167580 407352915 /nfs/dbraw/zinc/35/29/15/407352915.db2.gz MARIJKSFXHDGFP-DLBZAZTESA-N 2 1 322.497 1.988 10 0 DDAEMP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000106916858 407367016 /nfs/dbraw/zinc/36/70/16/407367016.db2.gz ZAVQBYZNGJTKTB-WMLDXEAASA-N 2 1 303.450 1.758 10 0 DDAEMP CN(C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261839812 407635989 /nfs/dbraw/zinc/63/59/89/407635989.db2.gz AIEDLYKKOOCDGE-ZACQAIPSSA-N 2 1 323.481 1.524 10 0 DDAEMP c1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)O2 ZINC000261892792 407656244 /nfs/dbraw/zinc/65/62/44/407656244.db2.gz GRDPTHLFOCAQPO-TWMKSMIVSA-N 2 1 302.418 1.737 10 0 DDAEMP CCOCCN1CCN(C(=O)C[N@@H+](CC)C2CC2)C[C@@H]1CC ZINC000152720020 407675502 /nfs/dbraw/zinc/67/55/02/407675502.db2.gz 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C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262583812 407874436 /nfs/dbraw/zinc/87/44/36/407874436.db2.gz ZLAXQVLLVQUJAP-XBVQOTNRSA-N 2 1 301.434 1.875 10 0 DDAEMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262583812 407874443 /nfs/dbraw/zinc/87/44/43/407874443.db2.gz ZLAXQVLLVQUJAP-XBVQOTNRSA-N 2 1 301.434 1.875 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000174577617 407967926 /nfs/dbraw/zinc/96/79/26/407967926.db2.gz RXTMQJRIHDGBFV-GOEBONIOSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](CC)C1CC1 ZINC000174577617 407967937 /nfs/dbraw/zinc/96/79/37/407967937.db2.gz RXTMQJRIHDGBFV-GOEBONIOSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](CC)C1CC1 ZINC000174577617 407967941 /nfs/dbraw/zinc/96/79/41/407967941.db2.gz RXTMQJRIHDGBFV-GOEBONIOSA-N 2 1 308.470 1.739 10 0 DDAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1CC ZINC000174630014 407970390 /nfs/dbraw/zinc/97/03/90/407970390.db2.gz SKELMFRWQGYWPU-ARFHVFGLSA-N 2 1 310.486 1.985 10 0 DDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000174630014 407970395 /nfs/dbraw/zinc/97/03/95/407970395.db2.gz SKELMFRWQGYWPU-ARFHVFGLSA-N 2 1 310.486 1.985 10 0 DDAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000174630014 407970398 /nfs/dbraw/zinc/97/03/98/407970398.db2.gz SKELMFRWQGYWPU-ARFHVFGLSA-N 2 1 310.486 1.985 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270683 408085269 /nfs/dbraw/zinc/08/52/69/408085269.db2.gz SDOLIRQLIJMZRY-RHSMWYFYSA-N 2 1 323.868 1.474 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175330446 408106635 /nfs/dbraw/zinc/10/66/35/408106635.db2.gz CWYBYUVRMLGPDG-QGZVFWFLSA-N 2 1 324.513 1.392 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000246750572 408330679 /nfs/dbraw/zinc/33/06/79/408330679.db2.gz BIRROFIHMCJUPO-KFWWJZLASA-N 2 1 322.453 1.910 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000246750572 408330683 /nfs/dbraw/zinc/33/06/83/408330683.db2.gz BIRROFIHMCJUPO-KFWWJZLASA-N 2 1 322.453 1.910 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000247376794 408458871 /nfs/dbraw/zinc/45/88/71/408458871.db2.gz PNHKJGVNSUPCLY-QLFBSQMISA-N 2 1 312.502 1.991 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000247494157 408480557 /nfs/dbraw/zinc/48/05/57/408480557.db2.gz MJCPLBRZDDMRRF-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247494157 408480559 /nfs/dbraw/zinc/48/05/59/408480559.db2.gz MJCPLBRZDDMRRF-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247494157 408480561 /nfs/dbraw/zinc/48/05/61/408480561.db2.gz MJCPLBRZDDMRRF-BZUAXINKSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000247475257 408478203 /nfs/dbraw/zinc/47/82/03/408478203.db2.gz VPSPFWUCLYOXTP-GDBMZVCRSA-N 2 1 310.486 1.889 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000247475257 408478206 /nfs/dbraw/zinc/47/82/06/408478206.db2.gz VPSPFWUCLYOXTP-GDBMZVCRSA-N 2 1 310.486 1.889 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000247475257 408478209 /nfs/dbraw/zinc/47/82/09/408478209.db2.gz VPSPFWUCLYOXTP-GDBMZVCRSA-N 2 1 310.486 1.889 10 0 DDAEMP CCC[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[NH+](C)C ZINC000162048951 408665476 /nfs/dbraw/zinc/66/54/76/408665476.db2.gz IMORNOWGHNUSBY-SJORKVTESA-N 2 1 324.513 1.345 10 0 DDAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327724 408804614 /nfs/dbraw/zinc/80/46/14/408804614.db2.gz VEWGLZXFQRUJOJ-OAHLLOKOSA-N 2 1 316.405 1.908 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327724 408804621 /nfs/dbraw/zinc/80/46/21/408804621.db2.gz VEWGLZXFQRUJOJ-OAHLLOKOSA-N 2 1 316.405 1.908 10 0 DDAEMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000338368034 409943020 /nfs/dbraw/zinc/94/30/20/409943020.db2.gz FODWRTPNPJWPNC-GVDBMIGSSA-N 2 1 323.481 1.166 10 0 DDAEMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000338368034 409943030 /nfs/dbraw/zinc/94/30/30/409943030.db2.gz FODWRTPNPJWPNC-GVDBMIGSSA-N 2 1 323.481 1.166 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638835622 423149965 /nfs/dbraw/zinc/14/99/65/423149965.db2.gz NASLVVLDNBLIHQ-JOCBIADPSA-N 2 1 315.461 1.726 10 0 DDAEMP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380310 422187376 /nfs/dbraw/zinc/18/73/76/422187376.db2.gz GFIXYROLBNRDRS-ZIAGYGMSSA-N 2 1 305.426 1.181 10 0 DDAEMP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000637380310 422187384 /nfs/dbraw/zinc/18/73/84/422187384.db2.gz GFIXYROLBNRDRS-ZIAGYGMSSA-N 2 1 305.426 1.181 10 0 DDAEMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380305 422188422 /nfs/dbraw/zinc/18/84/22/422188422.db2.gz GFIXYROLBNRDRS-UONOGXRCSA-N 2 1 305.426 1.181 10 0 DDAEMP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000637380305 422188429 /nfs/dbraw/zinc/18/84/29/422188429.db2.gz GFIXYROLBNRDRS-UONOGXRCSA-N 2 1 305.426 1.181 10 0 DDAEMP CC[N@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634716956 422579751 /nfs/dbraw/zinc/57/97/51/422579751.db2.gz CAAYEICAOCOUSD-ZWKOTPCHSA-N 2 1 303.450 1.307 10 0 DDAEMP CC[NH+]1CC[C@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634716956 422579755 /nfs/dbraw/zinc/57/97/55/422579755.db2.gz CAAYEICAOCOUSD-ZWKOTPCHSA-N 2 1 303.450 1.307 10 0 DDAEMP CC[NH+]1CC[C@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634716956 422579763 /nfs/dbraw/zinc/57/97/63/422579763.db2.gz CAAYEICAOCOUSD-ZWKOTPCHSA-N 2 1 303.450 1.307 10 0 DDAEMP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247169784 277384578 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ZINC000261768032 203112481 /nfs/dbraw/zinc/11/24/81/203112481.db2.gz MDJBLSGKIYKKRM-BNOWGMLFSA-N 2 1 323.462 1.117 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593574 193271868 /nfs/dbraw/zinc/27/18/68/193271868.db2.gz XPUREGUUSVMGGM-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)CCCOC ZINC000093593574 193271869 /nfs/dbraw/zinc/27/18/69/193271869.db2.gz XPUREGUUSVMGGM-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698408 193292443 /nfs/dbraw/zinc/29/24/43/193292443.db2.gz QUBFUMMMINBCGH-LSDHHAIUSA-N 2 1 317.499 1.122 10 0 DDAEMP CC[N@H+](CC(=O)NC(=O)NCCC(C)C)CC(C)(C)C[NH3+] ZINC000093891083 193323631 /nfs/dbraw/zinc/32/36/31/193323631.db2.gz UTFHJTFOFJMTPO-UHFFFAOYSA-N 2 1 300.447 1.165 10 0 DDAEMP CC[N@@H+](CC(=O)NC(=O)NCCC(C)C)CC(C)(C)C[NH3+] ZINC000093891083 193323632 /nfs/dbraw/zinc/32/36/32/193323632.db2.gz UTFHJTFOFJMTPO-UHFFFAOYSA-N 2 1 300.447 1.165 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000041681888 183217213 /nfs/dbraw/zinc/21/72/13/183217213.db2.gz ZAMYDQXXLMYIMU-CQSZACIVSA-N 2 1 305.488 1.168 10 0 DDAEMP CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000043051515 183332995 /nfs/dbraw/zinc/33/29/95/183332995.db2.gz XMVUWZXYSUMISB-CVEARBPZSA-N 2 1 311.857 1.728 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000177397239 285271268 /nfs/dbraw/zinc/27/12/68/285271268.db2.gz PXEMMKQYAYEJJN-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000177397239 285271269 /nfs/dbraw/zinc/27/12/69/285271269.db2.gz PXEMMKQYAYEJJN-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000177397239 285271270 /nfs/dbraw/zinc/27/12/70/285271270.db2.gz PXEMMKQYAYEJJN-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP C[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000121154154 195300009 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1.936 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@@H]1C ZINC000168029883 162177326 /nfs/dbraw/zinc/17/73/26/162177326.db2.gz LAYSUXMAHWQCBD-CABCVRRESA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@@H]1C ZINC000168029883 162177332 /nfs/dbraw/zinc/17/73/32/162177332.db2.gz LAYSUXMAHWQCBD-CABCVRRESA-N 2 1 311.470 1.191 10 0 DDAEMP CCOCC[N@@H+]1CCN(C(=O)C2([NH3+])CCCCC2)C[C@@H]1CC ZINC000168087997 162179411 /nfs/dbraw/zinc/17/94/11/162179411.db2.gz AQCOMVRIKNRAQH-HNNXBMFYSA-N 2 1 311.470 1.607 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)C2([NH3+])CCCCC2)C[C@@H]1CC ZINC000168087997 162179414 /nfs/dbraw/zinc/17/94/14/162179414.db2.gz AQCOMVRIKNRAQH-HNNXBMFYSA-N 2 1 311.470 1.607 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247560466 408492970 /nfs/dbraw/zinc/49/29/70/408492970.db2.gz ZZXMKBPFCSTWKN-ARFHVFGLSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000247560466 408492976 /nfs/dbraw/zinc/49/29/76/408492976.db2.gz ZZXMKBPFCSTWKN-ARFHVFGLSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000247560466 408492979 /nfs/dbraw/zinc/49/29/79/408492979.db2.gz ZZXMKBPFCSTWKN-ARFHVFGLSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000389853906 418750511 /nfs/dbraw/zinc/75/05/11/418750511.db2.gz ZMSDYZKUKORDAI-UWWQBHOKSA-N 2 1 301.434 1.765 10 0 DDAEMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1=O ZINC000262027737 277164135 /nfs/dbraw/zinc/16/41/35/277164135.db2.gz XFWHUTMZJRBYKO-LXTVHRRPSA-N 2 1 309.454 1.133 10 0 DDAEMP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)C[NH+]1CCCCC1 ZINC000247508248 279333462 /nfs/dbraw/zinc/33/34/62/279333462.db2.gz VPCXBJCJMKFGOH-ZACQAIPSSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113586141 288301427 /nfs/dbraw/zinc/30/14/27/288301427.db2.gz ZYWUQOQPSLPDCQ-CZUORRHYSA-N 2 1 306.454 1.491 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCO[C@H]2CCCCO2)CC1 ZINC000248572357 282091727 /nfs/dbraw/zinc/09/17/27/282091727.db2.gz MKWVHEWOLXKDOA-RDJZCZTQSA-N 2 1 314.470 1.554 10 0 DDAEMP CC(C)[NH2+][C@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435203 185250050 /nfs/dbraw/zinc/25/00/50/185250050.db2.gz NSNATNFLSUWBBG-WCQYABFASA-N 2 1 309.376 1.893 10 0 DDAEMP CC(C)[NH2+][C@](C)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435203 185250051 /nfs/dbraw/zinc/25/00/51/185250051.db2.gz NSNATNFLSUWBBG-WCQYABFASA-N 2 1 309.376 1.893 10 0 DDAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000237861614 202372431 /nfs/dbraw/zinc/37/24/31/202372431.db2.gz DWHDOKCANBJKQG-SJORKVTESA-N 2 1 301.434 1.501 10 0 DDAEMP [NH2+]=C1NC(=[NH2+])N(OCCCc2ccccc2)C2(CCCC2)N1 ZINC000039933173 183023059 /nfs/dbraw/zinc/02/30/59/183023059.db2.gz MVAYDRZGNRNVCG-UHFFFAOYSA-N 2 1 301.394 1.766 10 0 DDAEMP CCC[NH2+][C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145388 194395177 /nfs/dbraw/zinc/39/51/77/194395177.db2.gz LWJROJBLQOGLOP-INIZCTEOSA-N 2 1 301.475 1.883 10 0 DDAEMP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2ccncc2)[C@H]2CCCO[C@@H]12 ZINC000247990035 257111670 /nfs/dbraw/zinc/11/16/70/257111670.db2.gz LEIIOBVFEWFWDY-GVDBMIGSSA-N 2 1 305.422 1.392 10 0 DDAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261878792 407653721 /nfs/dbraw/zinc/65/37/21/407653721.db2.gz FBQPOQFNIGANEH-ARFHVFGLSA-N 2 1 303.406 1.032 10 0 DDAEMP CN(C)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261942326 407681145 /nfs/dbraw/zinc/68/11/45/407681145.db2.gz NAIOCLOOZWDTEV-BBWFWOEESA-N 2 1 303.450 1.999 10 0 DDAEMP COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261977992 407699491 /nfs/dbraw/zinc/69/94/91/407699491.db2.gz QYZKSNYDUWRSSZ-OAHLLOKOSA-N 2 1 306.406 1.670 10 0 DDAEMP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000262510584 407853670 /nfs/dbraw/zinc/85/36/70/407853670.db2.gz MYKMDCGNDLIOTC-LZWOXQAQSA-N 2 1 305.397 1.419 10 0 DDAEMP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000262510584 407853675 /nfs/dbraw/zinc/85/36/75/407853675.db2.gz MYKMDCGNDLIOTC-LZWOXQAQSA-N 2 1 305.397 1.419 10 0 DDAEMP CC[C@@H]1CN(c2cc(NCC3CC3)ncn2)CC[N@H+]1CCOC ZINC000119535307 408090487 /nfs/dbraw/zinc/09/04/87/408090487.db2.gz TVSLMQLSKMGPIF-OAHLLOKOSA-N 2 1 319.453 1.846 10 0 DDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175327238 408105764 /nfs/dbraw/zinc/10/57/64/408105764.db2.gz HYYMKKAZRIUXJF-SJORKVTESA-N 2 1 323.481 1.476 10 0 DDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000175327238 408105769 /nfs/dbraw/zinc/10/57/69/408105769.db2.gz HYYMKKAZRIUXJF-SJORKVTESA-N 2 1 323.481 1.476 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000246390332 408241526 /nfs/dbraw/zinc/24/15/26/408241526.db2.gz IPNKXAOUJLPGIO-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246390332 408241531 /nfs/dbraw/zinc/24/15/31/408241531.db2.gz IPNKXAOUJLPGIO-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000246390332 408241539 /nfs/dbraw/zinc/24/15/39/408241539.db2.gz IPNKXAOUJLPGIO-BRWVUGGUSA-N 2 1 322.497 1.987 10 0 DDAEMP CC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000155966190 408229730 /nfs/dbraw/zinc/22/97/30/408229730.db2.gz RQIKXOUGIYKVST-INIZCTEOSA-N 2 1 311.470 1.335 10 0 DDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246726636 408325737 /nfs/dbraw/zinc/32/57/37/408325737.db2.gz ZCAUVITWWGJUBN-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246726636 408325742 /nfs/dbraw/zinc/32/57/42/408325742.db2.gz ZCAUVITWWGJUBN-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246726636 408325748 /nfs/dbraw/zinc/32/57/48/408325748.db2.gz ZCAUVITWWGJUBN-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171900916 162247063 /nfs/dbraw/zinc/24/70/63/162247063.db2.gz QQQPQLLHQWAGPY-IXDOHACOSA-N 2 1 322.497 1.844 10 0 DDAEMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171900916 162247067 /nfs/dbraw/zinc/24/70/67/162247067.db2.gz QQQPQLLHQWAGPY-IXDOHACOSA-N 2 1 322.497 1.844 10 0 DDAEMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171900916 162247069 /nfs/dbraw/zinc/24/70/69/162247069.db2.gz QQQPQLLHQWAGPY-IXDOHACOSA-N 2 1 322.497 1.844 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000247161074 408417429 /nfs/dbraw/zinc/41/74/29/408417429.db2.gz UVUZQQVEASWCFP-KBMXLJTQSA-N 2 1 320.437 1.340 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000247161074 408417433 /nfs/dbraw/zinc/41/74/33/408417433.db2.gz UVUZQQVEASWCFP-KBMXLJTQSA-N 2 1 320.437 1.340 10 0 DDAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000176742600 408429928 /nfs/dbraw/zinc/42/99/28/408429928.db2.gz JNFCFMKPJGTFSZ-HZPDHXFCSA-N 2 1 308.470 1.454 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000176742600 408429931 /nfs/dbraw/zinc/42/99/31/408429931.db2.gz JNFCFMKPJGTFSZ-HZPDHXFCSA-N 2 1 308.470 1.454 10 0 DDAEMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000176742600 408429939 /nfs/dbraw/zinc/42/99/39/408429939.db2.gz JNFCFMKPJGTFSZ-HZPDHXFCSA-N 2 1 308.470 1.454 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000176416001 162536328 /nfs/dbraw/zinc/53/63/28/162536328.db2.gz CGWWCGKQLSBXMM-ZBFHGGJFSA-N 2 1 310.486 1.887 10 0 DDAEMP Cc1cc(NC(=O)CN2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178327613 408805857 /nfs/dbraw/zinc/80/58/57/408805857.db2.gz BBVJAGQZCPFCCR-ZDUSSCGKSA-N 2 1 303.366 1.591 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000263217476 163932218 /nfs/dbraw/zinc/93/22/18/163932218.db2.gz LCZWPLLYWLUSSX-DLBZAZTESA-N 2 1 313.401 1.331 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000301972439 410836947 /nfs/dbraw/zinc/83/69/47/410836947.db2.gz IBBJIWKBMMJSKC-GJZGRUSLSA-N 2 1 312.421 1.891 10 0 DDAEMP Cc1[nH+]ccn1-c1cncc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000301972439 410836950 /nfs/dbraw/zinc/83/69/50/410836950.db2.gz IBBJIWKBMMJSKC-GJZGRUSLSA-N 2 1 312.421 1.891 10 0 DDAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393636274 418759363 /nfs/dbraw/zinc/75/93/63/418759363.db2.gz VGPOOHVSJMXJBS-IXDOHACOSA-N 2 1 301.434 1.752 10 0 DDAEMP CCN(CC)C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247378243 279077257 /nfs/dbraw/zinc/07/72/57/279077257.db2.gz VPUQEQSMCOWRHI-GJZGRUSLSA-N 2 1 313.486 1.268 10 0 DDAEMP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245481965 279342121 /nfs/dbraw/zinc/34/21/21/279342121.db2.gz YYSQJMQUAOKLTN-GJZGRUSLSA-N 2 1 313.486 1.266 10 0 DDAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OCC(C)C ZINC000262198045 484265173 /nfs/dbraw/zinc/26/51/73/484265173.db2.gz ZRIOYNBXVZXYQX-HUUCEWRRSA-N 2 1 308.422 1.400 10 0 DDAEMP CC(C)COC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181451623 697460849 /nfs/dbraw/zinc/46/08/49/697460849.db2.gz XYCGXMDCMUVAHI-AWEZNQCLSA-N 2 1 300.443 1.210 10 0 DDAEMP CC(C)COC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000181451623 697460851 /nfs/dbraw/zinc/46/08/51/697460851.db2.gz XYCGXMDCMUVAHI-AWEZNQCLSA-N 2 1 300.443 1.210 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000261895724 698443734 /nfs/dbraw/zinc/44/37/34/698443734.db2.gz HBZLITMXUDIFNU-BRSBDYLESA-N 2 1 309.498 1.854 10 0 DDAEMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261974291 698448834 /nfs/dbraw/zinc/44/88/34/698448834.db2.gz QVMDXIURYRFESZ-XWTMOSNGSA-N 2 1 320.433 1.475 10 0 DDAEMP C[NH2+][C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702120876 699228659 /nfs/dbraw/zinc/22/86/59/699228659.db2.gz OXKUVQIIXKIDLH-UWWQBHOKSA-N 2 1 301.434 1.575 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713223829 699265108 /nfs/dbraw/zinc/26/51/08/699265108.db2.gz BMEBCGZWRSIBBE-DNMXQMFDSA-N 2 1 301.434 1.751 10 0 DDAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@H]1C(C)C ZINC000888097739 709212589 /nfs/dbraw/zinc/21/25/89/709212589.db2.gz NQTPUTZNZFGZNF-VQHPVUNQSA-N 2 1 306.454 1.678 10 0 DDAEMP CC(C)[NH2+][C@@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435201 185249968 /nfs/dbraw/zinc/24/99/68/185249968.db2.gz NSNATNFLSUWBBG-AAEUAGOBSA-N 2 1 309.376 1.893 10 0 DDAEMP CC(C)[NH2+][C@@](C)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435201 185249969 /nfs/dbraw/zinc/24/99/69/185249969.db2.gz NSNATNFLSUWBBG-AAEUAGOBSA-N 2 1 309.376 1.893 10 0 DDAEMP CC(C)[NH2+][C@](C)(CC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435510 185250491 /nfs/dbraw/zinc/25/04/91/185250491.db2.gz XOWMKYBTWAOKPV-CYBMUJFWSA-N 2 1 309.376 1.893 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178307328 282217120 /nfs/dbraw/zinc/21/71/20/282217120.db2.gz GSOQZPCGFWZIPD-IJEWVQPXSA-N 2 1 320.437 1.292 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178307328 282217121 /nfs/dbraw/zinc/21/71/21/282217121.db2.gz GSOQZPCGFWZIPD-IJEWVQPXSA-N 2 1 320.437 1.292 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000092680048 185333382 /nfs/dbraw/zinc/33/33/82/185333382.db2.gz DVGIJTVYKYUFOD-KBPBESRZSA-N 2 1 305.488 1.119 10 0 DDAEMP Cn1cc(CCC[N@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)cn1 ZINC000072143416 191049974 /nfs/dbraw/zinc/04/99/74/191049974.db2.gz XOEKQTUJKPOUAJ-UHFFFAOYSA-N 2 1 302.426 1.175 10 0 DDAEMP Cn1cc(CCC[N@@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)cn1 ZINC000072143416 191049977 /nfs/dbraw/zinc/04/99/77/191049977.db2.gz XOEKQTUJKPOUAJ-UHFFFAOYSA-N 2 1 302.426 1.175 10 0 DDAEMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000172629378 198128276 /nfs/dbraw/zinc/12/82/76/198128276.db2.gz YFXXXDBIOZDROR-ROUUACIJSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000172629378 198128277 /nfs/dbraw/zinc/12/82/77/198128277.db2.gz YFXXXDBIOZDROR-ROUUACIJSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172629378 198128280 /nfs/dbraw/zinc/12/82/80/198128280.db2.gz YFXXXDBIOZDROR-ROUUACIJSA-N 2 1 306.450 1.838 10 0 DDAEMP OCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000399017660 354656785 /nfs/dbraw/zinc/65/67/85/354656785.db2.gz GPHVUQXYUVOIOH-UHFFFAOYSA-N 2 1 313.239 1.995 10 0 DDAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262218855 291209887 /nfs/dbraw/zinc/20/98/87/291209887.db2.gz JJJWOJQHIWWYEU-IKGGRYGDSA-N 2 1 323.481 1.478 10 0 DDAEMP C[N@H+](CC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093696913 193291886 /nfs/dbraw/zinc/29/18/86/193291886.db2.gz DCNTWBPJUKKGQZ-AWEZNQCLSA-N 2 1 317.499 1.122 10 0 DDAEMP C[N@@H+](CC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCCC1 ZINC000093696913 193291887 /nfs/dbraw/zinc/29/18/87/193291887.db2.gz DCNTWBPJUKKGQZ-AWEZNQCLSA-N 2 1 317.499 1.122 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634612 193385979 /nfs/dbraw/zinc/38/59/79/193385979.db2.gz PVUPVRUYUAFXGI-LSDHHAIUSA-N 2 1 302.484 1.936 10 0 DDAEMP CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+](CCC[NH3+])C2CCCC2)C1 ZINC000094634612 193385981 /nfs/dbraw/zinc/38/59/81/193385981.db2.gz PVUPVRUYUAFXGI-LSDHHAIUSA-N 2 1 302.484 1.936 10 0 DDAEMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000158080514 197241588 /nfs/dbraw/zinc/24/15/88/197241588.db2.gz YFXXXDBIOZDROR-ZWKOTPCHSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000158080514 197241589 /nfs/dbraw/zinc/24/15/89/197241589.db2.gz YFXXXDBIOZDROR-ZWKOTPCHSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000158080514 197241591 /nfs/dbraw/zinc/24/15/91/197241591.db2.gz YFXXXDBIOZDROR-ZWKOTPCHSA-N 2 1 306.450 1.838 10 0 DDAEMP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000248002969 257112154 /nfs/dbraw/zinc/11/21/54/257112154.db2.gz NYLOFVVGSYTSCO-KFWWJZLASA-N 2 1 323.462 1.158 10 0 DDAEMP CC(C)[N@H+]1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000123199656 407322689 /nfs/dbraw/zinc/32/26/89/407322689.db2.gz RWNGSMQFAMEFGI-PMPSAXMXSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113609071 407519182 /nfs/dbraw/zinc/51/91/82/407519182.db2.gz VGZOQQJXEBDGDD-RDJZCZTQSA-N 2 1 322.497 1.987 10 0 DDAEMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859069 407643298 /nfs/dbraw/zinc/64/32/98/407643298.db2.gz BYLIHXDPXGTPGZ-KSZLIROESA-N 2 1 309.498 1.998 10 0 DDAEMP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722125 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311.470 1.369 10 0 DDAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]12 ZINC000262584414 407873965 /nfs/dbraw/zinc/87/39/65/407873965.db2.gz ZMLUWQPYDGDBPH-LEWSCRJBSA-N 2 1 318.808 1.517 10 0 DDAEMP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262662163 407894547 /nfs/dbraw/zinc/89/45/47/407894547.db2.gz YTYUNWUSQDEKRE-JKSUJKDBSA-N 2 1 310.486 1.038 10 0 DDAEMP CCC[C@@H]([NH3+])C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000262713461 407907666 /nfs/dbraw/zinc/90/76/66/407907666.db2.gz SQLYXUFMPHKMHF-MRXNPFEDSA-N 2 1 313.486 1.711 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCO[C@@H]2CCCCO2)CC1 ZINC000181689716 408026649 /nfs/dbraw/zinc/02/66/49/408026649.db2.gz MKWVHEWOLXKDOA-NVXWUHKLSA-N 2 1 314.470 1.554 10 0 DDAEMP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126799 408031530 /nfs/dbraw/zinc/03/15/30/408031530.db2.gz BJDRZEURLFVOEM-DDBAPUKQSA-N 2 1 303.450 1.209 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245846885 408080252 /nfs/dbraw/zinc/08/02/52/408080252.db2.gz FRWORPKDNRIEQU-DOTOQJQBSA-N 2 1 318.465 1.852 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000263270606 408085368 /nfs/dbraw/zinc/08/53/68/408085368.db2.gz SCBCGPAJHMFXEK-RDJZCZTQSA-N 2 1 313.401 1.331 10 0 DDAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@@H+]1C[C@H](C)O ZINC000246049957 408129840 /nfs/dbraw/zinc/12/98/40/408129840.db2.gz CVHGYFOFKZHNIE-GOEBONIOSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CC[N@H+]1C[C@H](C)O ZINC000246049957 408129860 /nfs/dbraw/zinc/12/98/60/408129860.db2.gz CVHGYFOFKZHNIE-GOEBONIOSA-N 2 1 321.465 1.984 10 0 DDAEMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000246759173 408334523 /nfs/dbraw/zinc/33/45/23/408334523.db2.gz BSWIOMZVOPTQJZ-OAGGEKHMSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000247494169 408482117 /nfs/dbraw/zinc/48/21/17/408482117.db2.gz MJCPLBRZDDMRRF-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247494169 408482121 /nfs/dbraw/zinc/48/21/21/408482121.db2.gz MJCPLBRZDDMRRF-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247494169 408482124 /nfs/dbraw/zinc/48/21/24/408482124.db2.gz MJCPLBRZDDMRRF-OAGGEKHMSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247555430 408492258 /nfs/dbraw/zinc/49/22/58/408492258.db2.gz QQQPQLLHQWAGPY-BBWFWOEESA-N 2 1 322.497 1.844 10 0 DDAEMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247555430 408492263 /nfs/dbraw/zinc/49/22/63/408492263.db2.gz QQQPQLLHQWAGPY-BBWFWOEESA-N 2 1 322.497 1.844 10 0 DDAEMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247555430 408492265 /nfs/dbraw/zinc/49/22/65/408492265.db2.gz QQQPQLLHQWAGPY-BBWFWOEESA-N 2 1 322.497 1.844 10 0 DDAEMP 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c1ccc(C[N@H+]2CCCO[C@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000390687426 307293756 /nfs/dbraw/zinc/29/37/56/307293756.db2.gz YVLQVNFRFUJWLP-GOSISDBHSA-N 2 1 303.450 1.619 10 0 DDAEMP Cc1cc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc(C)[nH+]1 ZINC000261949475 698447276 /nfs/dbraw/zinc/44/72/76/698447276.db2.gz WCZFAUVJZWKKBJ-GJZGRUSLSA-N 2 1 317.437 1.178 10 0 DDAEMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261966068 698448130 /nfs/dbraw/zinc/44/81/30/698448130.db2.gz QATUTTOYKLPLQV-KURKYZTESA-N 2 1 304.434 1.984 10 0 DDAEMP COCC[N@@H+](C)CCNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079293748 185163768 /nfs/dbraw/zinc/16/37/68/185163768.db2.gz VXPZNDHDKUMAGW-AWEZNQCLSA-N 2 1 301.475 1.472 10 0 DDAEMP C[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311175 185175019 /nfs/dbraw/zinc/17/50/19/185175019.db2.gz IHADVEBKYXRTTL-KRWDZBQOSA-N 2 1 301.434 1.815 10 0 DDAEMP C[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311175 185175020 /nfs/dbraw/zinc/17/50/20/185175020.db2.gz IHADVEBKYXRTTL-KRWDZBQOSA-N 2 1 301.434 1.815 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000249759022 282194012 /nfs/dbraw/zinc/19/40/12/282194012.db2.gz KHIVWJMLUXKDMR-HOTGVXAUSA-N 2 1 310.486 1.892 10 0 DDAEMP C[N@@H+](CCC(F)(F)F)C[C@@H](O)COc1ccc(C[NH3+])cc1 ZINC000088417552 185249264 /nfs/dbraw/zinc/24/92/64/185249264.db2.gz VODKERRCIOVZQV-GFCCVEGCSA-N 2 1 306.328 1.769 10 0 DDAEMP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000379455027 354625757 /nfs/dbraw/zinc/62/57/57/354625757.db2.gz MSXBYWWFCILLLF-SJORKVTESA-N 2 1 301.434 1.767 10 0 DDAEMP CC(C)(C)CS(=O)(=O)N1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000080185589 192010508 /nfs/dbraw/zinc/01/05/08/192010508.db2.gz HCDYFZLXPOWEBL-UHFFFAOYSA-N 2 1 305.488 1.109 10 0 DDAEMP [NH3+][C@@H]1CCC[C@@H]1CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555757 193267370 /nfs/dbraw/zinc/26/73/70/193267370.db2.gz MBNBWLCLGXNVOB-NXEZZACHSA-N 2 1 303.332 1.630 10 0 DDAEMP [NH3+][C@@H]1CCC[C@@H]1CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000093555757 193267372 /nfs/dbraw/zinc/26/73/72/193267372.db2.gz MBNBWLCLGXNVOB-NXEZZACHSA-N 2 1 303.332 1.630 10 0 DDAEMP CC(C)[N@@H+](C)CCCC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696762 193292240 /nfs/dbraw/zinc/29/22/40/193292240.db2.gz OYHNTFCDROWXDM-OAHLLOKOSA-N 2 1 319.515 1.368 10 0 DDAEMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000040508037 183085285 /nfs/dbraw/zinc/08/52/85/183085285.db2.gz CGAZLBHNLMNWSV-HNNXBMFYSA-N 2 1 307.825 1.736 10 0 DDAEMP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000040508037 183085286 /nfs/dbraw/zinc/08/52/86/183085286.db2.gz CGAZLBHNLMNWSV-HNNXBMFYSA-N 2 1 307.825 1.736 10 0 DDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCc2sccc2C1 ZINC000040750185 183128548 /nfs/dbraw/zinc/12/85/48/183128548.db2.gz GQEJJLLEUOUGIK-AGUYFDCRSA-N 2 1 305.447 1.587 10 0 DDAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCc2sccc2C1 ZINC000040750185 183128550 /nfs/dbraw/zinc/12/85/50/183128550.db2.gz GQEJJLLEUOUGIK-AGUYFDCRSA-N 2 1 305.447 1.587 10 0 DDAEMP Cc1cc(C[N@@H+]2C[C@@H]3OC[C@@H](C[NH+]4CCCCC4)[C@@H]3C2)n(C)n1 ZINC000248064817 257110507 /nfs/dbraw/zinc/11/05/07/257110507.db2.gz VTCIBNUKHOFSCA-NJAFHUGGSA-N 2 1 318.465 1.661 10 0 DDAEMP Cc1cc(C[N@H+]2C[C@@H]3OC[C@@H](C[NH+]4CCCCC4)[C@@H]3C2)n(C)n1 ZINC000248064817 257110508 /nfs/dbraw/zinc/11/05/08/257110508.db2.gz VTCIBNUKHOFSCA-NJAFHUGGSA-N 2 1 318.465 1.661 10 0 DDAEMP Cn1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](C[NH+](C)C4CC4)CO3)C2)n1 ZINC000096075662 257135101 /nfs/dbraw/zinc/13/51/01/257135101.db2.gz POPUYVGPGVCNDD-CRAIPNDOSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[N@H+]2CCC[C@@]3(C[C@H](C[NH+](C)C4CC4)CO3)C2)n1 ZINC000096075662 257135102 /nfs/dbraw/zinc/13/51/02/257135102.db2.gz POPUYVGPGVCNDD-CRAIPNDOSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[NH+]2CCC[C@@]3(C[C@H](C[N@H+](C)C4CC4)CO3)C2)n1 ZINC000096075662 257135103 /nfs/dbraw/zinc/13/51/03/257135103.db2.gz POPUYVGPGVCNDD-CRAIPNDOSA-N 2 1 318.465 1.885 10 0 DDAEMP Cn1ccc(C[NH+]2CCC[C@@]3(C[C@H](C[N@@H+](C)C4CC4)CO3)C2)n1 ZINC000096075662 257135104 /nfs/dbraw/zinc/13/51/04/257135104.db2.gz POPUYVGPGVCNDD-CRAIPNDOSA-N 2 1 318.465 1.885 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262091740 407738610 /nfs/dbraw/zinc/73/86/10/407738610.db2.gz UMGSDDVPNATWNV-UKRRQHHQSA-N 2 1 311.470 1.367 10 0 DDAEMP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000262295597 407788790 /nfs/dbraw/zinc/78/87/90/407788790.db2.gz NISNHZZRJLXLKH-WMLDXEAASA-N 2 1 319.449 1.651 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn3ccccc23)CC1 ZINC000179517321 407799282 /nfs/dbraw/zinc/79/92/82/407799282.db2.gz PNAJDPVFLFMKEE-HNNXBMFYSA-N 2 1 316.449 1.859 10 0 DDAEMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263154633 408039904 /nfs/dbraw/zinc/03/99/04/408039904.db2.gz DIBYMICPZQRFOA-WMLDXEAASA-N 2 1 300.406 1.159 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000263268770 408084871 /nfs/dbraw/zinc/08/48/71/408084871.db2.gz RWENQOPJVZPDSY-JOYOIKCWSA-N 2 1 303.175 1.258 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000246113642 408143734 /nfs/dbraw/zinc/14/37/34/408143734.db2.gz HYEAUWJYGYXLBN-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246687022 408318204 /nfs/dbraw/zinc/31/82/04/408318204.db2.gz HYYMKKAZRIUXJF-IRXDYDNUSA-N 2 1 323.481 1.476 10 0 DDAEMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246687022 408318208 /nfs/dbraw/zinc/31/82/08/408318208.db2.gz HYYMKKAZRIUXJF-IRXDYDNUSA-N 2 1 323.481 1.476 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176213627 408311848 /nfs/dbraw/zinc/31/18/48/408311848.db2.gz IJPZQEJVAFGDBY-DLBZAZTESA-N 2 1 319.424 1.953 10 0 DDAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176213627 408311852 /nfs/dbraw/zinc/31/18/52/408311852.db2.gz IJPZQEJVAFGDBY-DLBZAZTESA-N 2 1 319.424 1.953 10 0 DDAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[Si](C)(C)C)CC2)C1 ZINC000171746242 162239618 /nfs/dbraw/zinc/23/96/18/162239618.db2.gz PIBTYOYTWNEMTF-MRXNPFEDSA-N 2 1 313.562 1.591 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000247087882 408405281 /nfs/dbraw/zinc/40/52/81/408405281.db2.gz JKQDIWQDUUBFCL-IJEWVQPXSA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000247087882 408405285 /nfs/dbraw/zinc/40/52/85/408405285.db2.gz JKQDIWQDUUBFCL-IJEWVQPXSA-N 2 1 308.470 1.499 10 0 DDAEMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000247087882 408405286 /nfs/dbraw/zinc/40/52/86/408405286.db2.gz JKQDIWQDUUBFCL-IJEWVQPXSA-N 2 1 308.470 1.499 10 0 DDAEMP CC1CC[NH+](CCCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247237815 408436418 /nfs/dbraw/zinc/43/64/18/408436418.db2.gz MXRDMKKCKFJSLR-SJORKVTESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000247494178 408481689 /nfs/dbraw/zinc/48/16/89/408481689.db2.gz MJCPLBRZDDMRRF-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247494178 408481695 /nfs/dbraw/zinc/48/16/95/408481695.db2.gz MJCPLBRZDDMRRF-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000247494178 408481699 /nfs/dbraw/zinc/48/16/99/408481699.db2.gz MJCPLBRZDDMRRF-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247472996 408474330 /nfs/dbraw/zinc/47/43/30/408474330.db2.gz HMDAQJNJKMULJX-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247472996 408474336 /nfs/dbraw/zinc/47/43/36/408474336.db2.gz HMDAQJNJKMULJX-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247472996 408474344 /nfs/dbraw/zinc/47/43/44/408474344.db2.gz HMDAQJNJKMULJX-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CCC[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)[NH+](C)C ZINC000162382118 408695877 /nfs/dbraw/zinc/69/58/77/408695877.db2.gz DBOQXARAGIHEDD-HNNXBMFYSA-N 2 1 320.437 1.856 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192003444 163212098 /nfs/dbraw/zinc/21/20/98/163212098.db2.gz DPMUPKYEQPSKPV-STQMWFEESA-N 2 1 322.457 1.094 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2nnnn2C2CC2)CC1 ZINC000192003444 163212100 /nfs/dbraw/zinc/21/21/00/163212100.db2.gz DPMUPKYEQPSKPV-STQMWFEESA-N 2 1 322.457 1.094 10 0 DDAEMP C[C@H]1C[C@H]1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637933858 422488814 /nfs/dbraw/zinc/48/88/14/422488814.db2.gz KBLQLAHVUHOURS-GOEBONIOSA-N 2 1 301.434 1.895 10 0 DDAEMP Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657427476 424342547 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COCC[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000181688665 539238047 /nfs/dbraw/zinc/23/80/47/539238047.db2.gz YHOJMJNJMUWJRQ-INIZCTEOSA-N 2 1 323.456 1.910 10 0 DDAEMP CC[NH2+][C@](C)(C[C@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435568 185250290 /nfs/dbraw/zinc/25/02/90/185250290.db2.gz PKZUVJKYJHJSLZ-GXFFZTMASA-N 2 1 309.376 1.893 10 0 DDAEMP Cc1c(C[NH3+])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000092679541 185333623 /nfs/dbraw/zinc/33/36/23/185333623.db2.gz UZVRRZRDBYZRIB-CQSZACIVSA-N 2 1 311.451 1.168 10 0 DDAEMP CCOC(=O)[C@@H]([NH3+])CCSC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000080746772 192187429 /nfs/dbraw/zinc/18/74/29/192187429.db2.gz URYYFTJLUXFBLC-OLZOCXBDSA-N 2 1 304.456 1.109 10 0 DDAEMP CCOC(=O)[C@@H]([NH3+])CCSC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000080746772 192187431 /nfs/dbraw/zinc/18/74/31/192187431.db2.gz URYYFTJLUXFBLC-OLZOCXBDSA-N 2 1 304.456 1.109 10 0 DDAEMP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000237870330 202376230 /nfs/dbraw/zinc/37/62/30/202376230.db2.gz PYVPKLHIHFSVBB-SJORKVTESA-N 2 1 317.433 1.262 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@H+](C)[C@@H](C)COC ZINC000093590211 193270783 /nfs/dbraw/zinc/27/07/83/193270783.db2.gz DTZXOTFIBAHCLG-OFQRWUPVSA-N 2 1 300.443 1.665 10 0 DDAEMP CC[NH2+][C@]1(C(=O)OC)CCC[C@H]1CC[N@@H+](C)[C@@H](C)COC ZINC000093590211 193270784 /nfs/dbraw/zinc/27/07/84/193270784.db2.gz DTZXOTFIBAHCLG-OFQRWUPVSA-N 2 1 300.443 1.665 10 0 DDAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@H]1CC[N@H+](C)CCCOC ZINC000093593673 193271624 /nfs/dbraw/zinc/27/16/24/193271624.db2.gz AILADKQYFKGUHL-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CCOC(=O)[C@]1([NH2+]C)CCC[C@H]1CC[N@@H+](C)CCCOC ZINC000093593673 193271626 /nfs/dbraw/zinc/27/16/26/193271626.db2.gz AILADKQYFKGUHL-HOCLYGCPSA-N 2 1 300.443 1.666 10 0 DDAEMP CC[NH2+][C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)[NH+](C)C ZINC000093700714 193294637 /nfs/dbraw/zinc/29/46/37/193294637.db2.gz LBBPRSKNICVXEK-ZIAGYGMSSA-N 2 1 319.515 1.366 10 0 DDAEMP CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000093892138 193323969 /nfs/dbraw/zinc/32/39/69/193323969.db2.gz DPCMPETWTXFLRG-UHFFFAOYSA-N 2 1 300.447 1.308 10 0 DDAEMP CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000093892138 193323970 /nfs/dbraw/zinc/32/39/70/193323970.db2.gz DPCMPETWTXFLRG-UHFFFAOYSA-N 2 1 300.447 1.308 10 0 DDAEMP C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC[N@H+]1C ZINC000094336750 193360847 /nfs/dbraw/zinc/36/08/47/193360847.db2.gz QGDZLYLPWCLRHZ-MRVPVSSYSA-N 2 1 301.316 1.525 10 0 DDAEMP C[N@H+]1CCN(c2ncc(Br)cc2C[NH3+])CC1(C)C ZINC000110750586 194356972 /nfs/dbraw/zinc/35/69/72/194356972.db2.gz FLPKQMSGLXPEPB-UHFFFAOYSA-N 2 1 313.243 1.833 10 0 DDAEMP C[C@@]1(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062895432 184258872 /nfs/dbraw/zinc/25/88/72/184258872.db2.gz QJICIHPQMXHYJT-MRXNPFEDSA-N 2 1 307.463 1.782 10 0 DDAEMP C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[NH2+]C1 ZINC000261979535 407699850 /nfs/dbraw/zinc/69/98/50/407699850.db2.gz AHLQMAUEBYXSIY-CYBMUJFWSA-N 2 1 301.390 1.214 10 0 DDAEMP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCC[NH2+]C1 ZINC000261979535 407699853 /nfs/dbraw/zinc/69/98/53/407699853.db2.gz AHLQMAUEBYXSIY-CYBMUJFWSA-N 2 1 301.390 1.214 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181046768 407948358 /nfs/dbraw/zinc/94/83/58/407948358.db2.gz FRWORPKDNRIEQU-WBVHZDCISA-N 2 1 318.465 1.852 10 0 DDAEMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000174354719 407937856 /nfs/dbraw/zinc/93/78/56/407937856.db2.gz XNYKLWSOTRKZMS-INIZCTEOSA-N 2 1 310.486 1.985 10 0 DDAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263197869 408053432 /nfs/dbraw/zinc/05/34/32/408053432.db2.gz IRNCEPCVZIKWSL-DLBZAZTESA-N 2 1 305.466 1.315 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000263192591 408053083 /nfs/dbraw/zinc/05/30/83/408053083.db2.gz IBMVEIXCNHTGLB-SKDRFNHKSA-N 2 1 319.630 1.772 10 0 DDAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000246310537 408216737 /nfs/dbraw/zinc/21/67/37/408216737.db2.gz NPMCEYSENASSPF-LZWOXQAQSA-N 2 1 308.470 1.737 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000246310537 408216739 /nfs/dbraw/zinc/21/67/39/408216739.db2.gz NPMCEYSENASSPF-LZWOXQAQSA-N 2 1 308.470 1.737 10 0 DDAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000246310537 408216741 /nfs/dbraw/zinc/21/67/41/408216741.db2.gz NPMCEYSENASSPF-LZWOXQAQSA-N 2 1 308.470 1.737 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246779300 408339094 /nfs/dbraw/zinc/33/90/94/408339094.db2.gz BEEGUYBNJGKXRT-BBWFWOEESA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000246779300 408339098 /nfs/dbraw/zinc/33/90/98/408339098.db2.gz BEEGUYBNJGKXRT-BBWFWOEESA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000246779300 408339102 /nfs/dbraw/zinc/33/91/02/408339102.db2.gz BEEGUYBNJGKXRT-BBWFWOEESA-N 2 1 322.497 1.985 10 0 DDAEMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000168729106 162180738 /nfs/dbraw/zinc/18/07/38/162180738.db2.gz AHYVFQQLHPYXCU-STQMWFEESA-N 2 1 318.421 1.643 10 0 DDAEMP CC[NH+]1CCC(CCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000173508238 162343364 /nfs/dbraw/zinc/34/33/64/162343364.db2.gz FNPDKESZVRPFOC-DOTOQJQBSA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000192735954 408641570 /nfs/dbraw/zinc/64/15/70/408641570.db2.gz QUWKWPARGXUFIQ-QGZVFWFLSA-N 2 1 320.485 1.331 10 0 DDAEMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184921852 408717456 /nfs/dbraw/zinc/71/74/56/408717456.db2.gz NTFIYWLRGRMILH-DOTOQJQBSA-N 2 1 318.465 1.041 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000178286712 408799095 /nfs/dbraw/zinc/79/90/95/408799095.db2.gz WVBLSKMQEMVXLF-AWEZNQCLSA-N 2 1 321.425 1.138 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000178286712 408799100 /nfs/dbraw/zinc/79/91/00/408799100.db2.gz WVBLSKMQEMVXLF-AWEZNQCLSA-N 2 1 321.425 1.138 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000194145808 408765067 /nfs/dbraw/zinc/76/50/67/408765067.db2.gz MRVQRUSFOIMHSP-XHSDSOJGSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000194145808 408765073 /nfs/dbraw/zinc/76/50/73/408765073.db2.gz MRVQRUSFOIMHSP-XHSDSOJGSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000194145808 408765082 /nfs/dbraw/zinc/76/50/82/408765082.db2.gz MRVQRUSFOIMHSP-XHSDSOJGSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1)C(C)C ZINC000262202565 484264667 /nfs/dbraw/zinc/26/46/67/484264667.db2.gz IFZRMKRXOXUVJT-DLBZAZTESA-N 2 1 319.449 1.227 10 0 DDAEMP Clc1ccc(OCCC[NH+]2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000090309305 185290435 /nfs/dbraw/zinc/29/04/35/185290435.db2.gz QDRYMELSGLEGRE-UHFFFAOYSA-N 2 1 309.841 1.698 10 0 DDAEMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171896367 282241147 /nfs/dbraw/zinc/24/11/47/282241147.db2.gz FATKTGBPGJMYMV-ZIAGYGMSSA-N 2 1 322.478 1.840 10 0 DDAEMP C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000092678780 185333593 /nfs/dbraw/zinc/33/35/93/185333593.db2.gz JNOMSKOCUDAKMS-CQSZACIVSA-N 2 1 311.451 1.121 10 0 DDAEMP [NH3+]C[C@@H]1c2cccc(Cl)c2CN1CCC[NH+]1CCOCC1 ZINC000071683242 191007004 /nfs/dbraw/zinc/00/70/04/191007004.db2.gz LFTQTQVEZPYLRL-MRXNPFEDSA-N 2 1 309.841 1.878 10 0 DDAEMP NC(=[NH2+])c1ccccc1C[NH+]1CCN(c2nccs2)CC1 ZINC000020020443 182179170 /nfs/dbraw/zinc/17/91/70/182179170.db2.gz LZENIRMOMKVNRD-UHFFFAOYSA-N 2 1 301.419 1.749 10 0 DDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105148688 194079361 /nfs/dbraw/zinc/07/93/61/194079361.db2.gz IHWSLHKRUJZCOP-JKSUJKDBSA-N 2 1 310.486 1.842 10 0 DDAEMP COCC[N@H+]1CCO[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000503718361 257208856 /nfs/dbraw/zinc/20/88/56/257208856.db2.gz RZIWOBNTOHIAOJ-RDJZCZTQSA-N 2 1 308.397 1.605 10 0 DDAEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1O ZINC000121108161 195294358 /nfs/dbraw/zinc/29/43/58/195294358.db2.gz ADVILKQQHJJCHX-CQSZACIVSA-N 2 1 322.449 1.925 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638303326 422817097 /nfs/dbraw/zinc/81/70/97/422817097.db2.gz YGMOPBQSFROBLA-CRAIPNDOSA-N 2 1 319.449 1.379 10 0 DDAEMP C[N@@H+](CCCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915678 407357213 /nfs/dbraw/zinc/35/72/13/407357213.db2.gz KPWUOSKBWVQZIQ-SFHVURJKSA-N 2 1 306.450 1.746 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000261894478 407660771 /nfs/dbraw/zinc/66/07/71/407660771.db2.gz GZQOVBMWHXOWPK-YNEHKIRRSA-N 2 1 309.376 1.227 10 0 DDAEMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261914388 407669541 /nfs/dbraw/zinc/66/95/41/407669541.db2.gz JMHMSXOQTZWNKH-QRVBRYPASA-N 3 1 317.477 1.995 10 0 DDAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063763 407729851 /nfs/dbraw/zinc/72/98/51/407729851.db2.gz AOWLUYLOTVALOX-NVXWUHKLSA-N 2 1 303.450 1.778 10 0 DDAEMP CCC[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1)[NH+](C)C ZINC000153683824 407876271 /nfs/dbraw/zinc/87/62/71/407876271.db2.gz AGYLHINKBKLTBI-JKSUJKDBSA-N 2 1 313.486 1.676 10 0 DDAEMP CCC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1)[NH+](C)C ZINC000153683824 407876278 /nfs/dbraw/zinc/87/62/78/407876278.db2.gz AGYLHINKBKLTBI-JKSUJKDBSA-N 2 1 313.486 1.676 10 0 DDAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000173845152 407902489 /nfs/dbraw/zinc/90/24/89/407902489.db2.gz MJJLYYQDSHIUFK-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2CCC[NH+]2CC)C1 ZINC000245431297 407978541 /nfs/dbraw/zinc/97/85/41/407978541.db2.gz MWGSZVTWIPIPLH-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000245431297 407978544 /nfs/dbraw/zinc/97/85/44/407978544.db2.gz MWGSZVTWIPIPLH-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000245431297 407978551 /nfs/dbraw/zinc/97/85/51/407978551.db2.gz MWGSZVTWIPIPLH-HZPDHXFCSA-N 2 1 310.486 1.844 10 0 DDAEMP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126802 408032147 /nfs/dbraw/zinc/03/21/47/408032147.db2.gz BJDRZEURLFVOEM-VDHUWJSZSA-N 2 1 303.450 1.209 10 0 DDAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263242955 408072991 /nfs/dbraw/zinc/07/29/91/408072991.db2.gz CMFABFZEASCWRM-CQSZACIVSA-N 2 1 301.434 1.897 10 0 DDAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1Oc1cccnc1 ZINC000263262162 408081609 /nfs/dbraw/zinc/08/16/09/408081609.db2.gz RBRQPQPIZPVTAK-DOTOQJQBSA-N 2 1 313.401 1.852 10 0 DDAEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000246399039 408245610 /nfs/dbraw/zinc/24/56/10/408245610.db2.gz RKBNNMDINPDIIV-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000246399039 408245618 /nfs/dbraw/zinc/24/56/18/408245618.db2.gz RKBNNMDINPDIIV-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000246399039 408245624 /nfs/dbraw/zinc/24/56/24/408245624.db2.gz RKBNNMDINPDIIV-HOTGVXAUSA-N 2 1 310.486 1.844 10 0 DDAEMP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000173920942 162378320 /nfs/dbraw/zinc/37/83/20/162378320.db2.gz UAOIMQSJVMEJLT-AWEZNQCLSA-N 2 1 320.441 1.147 10 0 DDAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246977134 408378972 /nfs/dbraw/zinc/37/89/72/408378972.db2.gz QXHNSKJUIAMLCO-MSOLQXFVSA-N 2 1 317.477 1.960 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000247039679 408394073 /nfs/dbraw/zinc/39/40/73/408394073.db2.gz MXGMKUXQOFOIPL-BXUZGUMPSA-N 2 1 319.409 1.033 10 0 DDAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000247039679 408394078 /nfs/dbraw/zinc/39/40/78/408394078.db2.gz MXGMKUXQOFOIPL-BXUZGUMPSA-N 2 1 319.409 1.033 10 0 DDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000247269786 408441812 /nfs/dbraw/zinc/44/18/12/408441812.db2.gz CABWLJXTJFZPSP-HOTGVXAUSA-N 2 1 312.502 1.944 10 0 DDAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000177195058 408550481 /nfs/dbraw/zinc/55/04/81/408550481.db2.gz WGPPXKBVQWRWQB-CVEARBPZSA-N 2 1 311.470 1.334 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000177195058 408550488 /nfs/dbraw/zinc/55/04/88/408550488.db2.gz WGPPXKBVQWRWQB-CVEARBPZSA-N 2 1 311.470 1.334 10 0 DDAEMP O=C(c1ccnc(-n2ccnc2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195051220 163303768 /nfs/dbraw/zinc/30/37/68/163303768.db2.gz KOLPSHNEYBVDDN-OAHLLOKOSA-N 2 1 311.389 1.578 10 0 DDAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719871 422585152 /nfs/dbraw/zinc/58/51/52/422585152.db2.gz ATRNOFPMJBLSSL-SJLPKXTDSA-N 2 1 306.450 1.620 10 0 DDAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719871 422585159 /nfs/dbraw/zinc/58/51/59/422585159.db2.gz ATRNOFPMJBLSSL-SJLPKXTDSA-N 2 1 306.450 1.620 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247278261 279299408 /nfs/dbraw/zinc/29/94/08/279299408.db2.gz KETJWCOQHHFIHC-XHSDSOJGSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247278261 279299409 /nfs/dbraw/zinc/29/94/09/279299409.db2.gz KETJWCOQHHFIHC-XHSDSOJGSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247278261 279299410 /nfs/dbraw/zinc/29/94/10/279299410.db2.gz KETJWCOQHHFIHC-XHSDSOJGSA-N 2 1 310.486 1.841 10 0 DDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156282444 522816914 /nfs/dbraw/zinc/81/69/14/522816914.db2.gz BNUKQVNWGIHASM-KRWDZBQOSA-N 2 1 319.449 1.277 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CC(F)(F)F)CC1 ZINC000249501083 282161096 /nfs/dbraw/zinc/16/10/96/282161096.db2.gz XFSQWPJMXUGBDO-AAEUAGOBSA-N 2 1 312.376 1.324 10 0 DDAEMP CN(CC[NH+]1CCCC1)c1nc(NN)[nH+]cc1Br ZINC000087870500 185234181 /nfs/dbraw/zinc/23/41/81/185234181.db2.gz ZQVNBSCWNLYHKF-UHFFFAOYSA-N 2 1 315.219 1.057 10 0 DDAEMP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262681546 282293776 /nfs/dbraw/zinc/29/37/76/282293776.db2.gz XQZKEEFEFVZQMK-PMPSAXMXSA-N 2 1 311.470 1.367 10 0 DDAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)C1 ZINC000091545491 193071434 /nfs/dbraw/zinc/07/14/34/193071434.db2.gz ZUDSNQMXUVIDPA-KBPBESRZSA-N 2 1 307.463 1.910 10 0 DDAEMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(=O)n3ncsc3n2)CC1 ZINC000091873015 193121337 /nfs/dbraw/zinc/12/13/37/193121337.db2.gz TWLRVAVADXDJEC-UHFFFAOYSA-N 2 1 307.423 1.113 10 0 DDAEMP C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000093698429 193292952 /nfs/dbraw/zinc/29/29/52/193292952.db2.gz UJIKUGNBPIWLSB-RRFJBIMHSA-N 2 1 317.499 1.107 10 0 DDAEMP O[C@@]1(C[NH+]2CCC3(C=Cc4ccccc43)CC2)C[NH2+]CCOC1 ZINC000077391309 285344299 /nfs/dbraw/zinc/34/42/99/285344299.db2.gz XGPNLAIQMPXASH-LJQANCHMSA-N 2 1 314.429 1.398 10 0 DDAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638303450 422815823 /nfs/dbraw/zinc/81/58/23/422815823.db2.gz YGMOPBQSFROBLA-QAPCUYQASA-N 2 1 319.449 1.379 10 0 DDAEMP CC[C@](C)(O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000123527788 407331255 /nfs/dbraw/zinc/33/12/55/407331255.db2.gz VSOZGFKQPSVWKJ-IBGZPJMESA-N 2 1 319.493 1.897 10 0 DDAEMP [NH3+]C1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000261765899 407607685 /nfs/dbraw/zinc/60/76/85/407607685.db2.gz GHARLPIHFJNJBL-MRXNPFEDSA-N 2 1 317.433 1.275 10 0 DDAEMP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)NC1CCCCC1 ZINC000261873256 407649608 /nfs/dbraw/zinc/64/96/08/407649608.db2.gz DJKAMDHXRQZLCD-GVDBMIGSSA-N 2 1 323.481 1.572 10 0 DDAEMP CC(C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000171588825 407709916 /nfs/dbraw/zinc/70/99/16/407709916.db2.gz JGJCYBQVXCQENS-ZDUSSCGKSA-N 2 1 310.442 1.718 10 0 DDAEMP CC(C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000171588825 407709922 /nfs/dbraw/zinc/70/99/22/407709922.db2.gz JGJCYBQVXCQENS-ZDUSSCGKSA-N 2 1 310.442 1.718 10 0 DDAEMP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000152975031 407728082 /nfs/dbraw/zinc/72/80/82/407728082.db2.gz LAEMDROLMUKZAD-HNNXBMFYSA-N 2 1 318.421 1.587 10 0 DDAEMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000152975031 407728086 /nfs/dbraw/zinc/72/80/86/407728086.db2.gz LAEMDROLMUKZAD-HNNXBMFYSA-N 2 1 318.421 1.587 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000263270604 408084526 /nfs/dbraw/zinc/08/45/26/408084526.db2.gz SCBCGPAJHMFXEK-NVXWUHKLSA-N 2 1 313.401 1.331 10 0 DDAEMP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000246202019 408176847 /nfs/dbraw/zinc/17/68/47/408176847.db2.gz FBMPFVKXPHVOTI-DOTOQJQBSA-N 2 1 301.434 1.678 10 0 DDAEMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246389357 408241468 /nfs/dbraw/zinc/24/14/68/408241468.db2.gz IHWSLHKRUJZCOP-HOTGVXAUSA-N 2 1 310.486 1.842 10 0 DDAEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246779322 408337990 /nfs/dbraw/zinc/33/79/90/408337990.db2.gz BEEGUYBNJGKXRT-GVDBMIGSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000246779322 408337994 /nfs/dbraw/zinc/33/79/94/408337994.db2.gz BEEGUYBNJGKXRT-GVDBMIGSSA-N 2 1 322.497 1.985 10 0 DDAEMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)C1 ZINC000246779322 408338000 /nfs/dbraw/zinc/33/80/00/408338000.db2.gz BEEGUYBNJGKXRT-GVDBMIGSSA-N 2 1 322.497 1.985 10 0 DDAEMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000168676696 162181304 /nfs/dbraw/zinc/18/13/04/162181304.db2.gz NOUOBLDWXVMUPH-RDJZCZTQSA-N 2 1 301.434 1.861 10 0 DDAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000168676696 162181305 /nfs/dbraw/zinc/18/13/05/162181305.db2.gz NOUOBLDWXVMUPH-RDJZCZTQSA-N 2 1 301.434 1.861 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000184235587 408576385 /nfs/dbraw/zinc/57/63/85/408576385.db2.gz XAAYSWUXYWHFBS-OAHLLOKOSA-N 2 1 311.470 1.465 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000184235587 408576388 /nfs/dbraw/zinc/57/63/88/408576388.db2.gz XAAYSWUXYWHFBS-OAHLLOKOSA-N 2 1 311.470 1.465 10 0 DDAEMP O=C(NCc1ccn2ccnc2c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000177787421 408714227 /nfs/dbraw/zinc/71/42/27/408714227.db2.gz ILDCWZINOCVUBN-HNNXBMFYSA-N 2 1 313.405 1.714 10 0 DDAEMP O=C(NCc1ccn2ccnc2c1)N1CCN2CCCC[C@H]2C1 ZINC000177787421 408714232 /nfs/dbraw/zinc/71/42/32/408714232.db2.gz ILDCWZINOCVUBN-HNNXBMFYSA-N 2 1 313.405 1.714 10 0 DDAEMP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638511890 422937213 /nfs/dbraw/zinc/93/72/13/422937213.db2.gz CHEPYMIVDGTPJE-ROUUACIJSA-N 2 1 315.461 1.965 10 0 DDAEMP Brc1c[nH+]ccc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261577090 275377779 /nfs/dbraw/zinc/37/77/79/275377779.db2.gz OBSIWAWLHGFTSW-NSHDSACASA-N 2 1 311.227 1.328 10 0 DDAEMP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175191634 279335474 /nfs/dbraw/zinc/33/54/74/279335474.db2.gz YYSQJMQUAOKLTN-HUUCEWRRSA-N 2 1 313.486 1.266 10 0 DDAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000106915861 289289626 /nfs/dbraw/zinc/28/96/26/289289626.db2.gz JGGPERMFTSVPEQ-ROUUACIJSA-N 2 1 315.461 1.856 10 0 DDAEMP Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262006907 698450551 /nfs/dbraw/zinc/45/05/51/698450551.db2.gz VDPCEHRTSSOAMQ-BSDSXHPESA-N 2 1 304.434 1.775 10 0 DDAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711382135 699257102 /nfs/dbraw/zinc/25/71/02/699257102.db2.gz DATZQWHCMJIANF-HOCLYGCPSA-N 2 1 303.450 1.869 10 0 DDAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H]3CCCC[C@@H]3O)C2)ccn1 ZINC000886062966 708690693 /nfs/dbraw/zinc/69/06/93/708690693.db2.gz DKSXBECBQVHFMI-KURKYZTESA-N 2 1 319.449 1.900 10 0 DDAEMP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1CC(=O)NCCc1cccs1 ZINC000090338238 185291840 /nfs/dbraw/zinc/29/18/40/185291840.db2.gz REGFIWYXTAHSJM-JSGCOSHPSA-N 2 1 307.463 1.337 10 0 DDAEMP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1CC(=O)NCCc1cccs1 ZINC000090338238 185291841 /nfs/dbraw/zinc/29/18/41/185291841.db2.gz REGFIWYXTAHSJM-JSGCOSHPSA-N 2 1 307.463 1.337 10 0 DDAEMP Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000092626645 185329675 /nfs/dbraw/zinc/32/96/75/185329675.db2.gz OESDNFWZDIFVHJ-AWEZNQCLSA-N 2 1 311.451 1.168 10 0 DDAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000105198495 194084172 /nfs/dbraw/zinc/08/41/72/194084172.db2.gz PXWIMTQLIUTLQW-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)c2cccn2C)CC1 ZINC000106125753 194187473 /nfs/dbraw/zinc/18/74/73/194187473.db2.gz RGWWJAGQQPCQDU-CQSZACIVSA-N 2 1 307.438 1.232 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)c2cccn2C)CC1 ZINC000106125753 194187475 /nfs/dbraw/zinc/18/74/75/194187475.db2.gz RGWWJAGQQPCQDU-CQSZACIVSA-N 2 1 307.438 1.232 10 0 DDAEMP COc1ccc(O)cc1C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067641394 407278080 /nfs/dbraw/zinc/27/80/80/407278080.db2.gz LZCYKLMOGFPFIW-UHFFFAOYSA-N 2 1 319.449 1.613 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C[C@H]1CC ZINC000261894798 407660274 /nfs/dbraw/zinc/66/02/74/407660274.db2.gz UHPRENUGMBWDFJ-JKSUJKDBSA-N 2 1 311.470 1.335 10 0 DDAEMP COCCN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261929643 407674486 /nfs/dbraw/zinc/67/44/86/407674486.db2.gz LKLAMDFBCBGLHV-ARFHVFGLSA-N 2 1 304.438 1.333 10 0 DDAEMP Cc1nn(C)c(C)c1C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262002435 407707642 /nfs/dbraw/zinc/70/76/42/407707642.db2.gz LKYMZMNFHFBART-KRWDZBQOSA-N 2 1 305.470 1.154 10 0 DDAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171904383 407790465 /nfs/dbraw/zinc/79/04/65/407790465.db2.gz UPNSEGHHPYUVAM-YYIAUSFCSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904383 407790471 /nfs/dbraw/zinc/79/04/71/407790471.db2.gz UPNSEGHHPYUVAM-YYIAUSFCSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171904383 407790475 /nfs/dbraw/zinc/79/04/75/407790475.db2.gz UPNSEGHHPYUVAM-YYIAUSFCSA-N 2 1 322.497 1.842 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2CCC(C)CC2)CC1 ZINC000153809915 407908050 /nfs/dbraw/zinc/90/80/50/407908050.db2.gz AOTAWBVIKOXDKI-QGZVFWFLSA-N 2 1 311.514 1.743 10 0 DDAEMP C[C@@H](O)C[NH+]1CCC(CN(C)CC[NH+]2CCC(C)CC2)CC1 ZINC000153809915 407908053 /nfs/dbraw/zinc/90/80/53/407908053.db2.gz AOTAWBVIKOXDKI-QGZVFWFLSA-N 2 1 311.514 1.743 10 0 DDAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262490764 407848325 /nfs/dbraw/zinc/84/83/25/407848325.db2.gz KYHXEJSKARRPLL-MZGVZZPPSA-N 2 1 305.397 1.672 10 0 DDAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262490764 407848329 /nfs/dbraw/zinc/84/83/29/407848329.db2.gz KYHXEJSKARRPLL-MZGVZZPPSA-N 2 1 305.397 1.672 10 0 DDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000263217332 408062499 /nfs/dbraw/zinc/06/24/99/408062499.db2.gz LBPDIQYKEQIKEV-CABZTGNLSA-N 2 1 303.175 1.258 10 0 DDAEMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263313916 408103540 /nfs/dbraw/zinc/10/35/40/408103540.db2.gz PWHVHBHAGLYJHA-AWEZNQCLSA-N 2 1 301.434 1.754 10 0 DDAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263313917 408104771 /nfs/dbraw/zinc/10/47/71/408104771.db2.gz PWHVHBHAGLYJHA-CQSZACIVSA-N 2 1 301.434 1.754 10 0 DDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246376086 408237462 /nfs/dbraw/zinc/23/74/62/408237462.db2.gz GYNQMKWACYYZLS-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246264771 408197632 /nfs/dbraw/zinc/19/76/32/408197632.db2.gz LIVCYVHVHSRGOZ-ZMSDIMECSA-N 2 1 319.449 1.502 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246264771 408197639 /nfs/dbraw/zinc/19/76/39/408197639.db2.gz LIVCYVHVHSRGOZ-ZMSDIMECSA-N 2 1 319.449 1.502 10 0 DDAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246586493 408297705 /nfs/dbraw/zinc/29/77/05/408297705.db2.gz ZUDSSFRGAWDXAO-ZBFHGGJFSA-N 2 1 321.469 1.952 10 0 DDAEMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246586493 408297710 /nfs/dbraw/zinc/29/77/10/408297710.db2.gz ZUDSSFRGAWDXAO-ZBFHGGJFSA-N 2 1 321.469 1.952 10 0 DDAEMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247009294 408388062 /nfs/dbraw/zinc/38/80/62/408388062.db2.gz FTEHACYMDSBIFA-BZUAXINKSA-N 2 1 308.470 1.739 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247489846 408480387 /nfs/dbraw/zinc/48/03/87/408480387.db2.gz UDMAVDQDCZVINH-ZBFHGGJFSA-N 2 1 308.470 1.737 10 0 DDAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000176975892 408489878 /nfs/dbraw/zinc/48/98/78/408489878.db2.gz GDHNYDKVMNLJGO-HNNXBMFYSA-N 2 1 313.405 1.824 10 0 DDAEMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)C1(C)C ZINC000249098173 408686854 /nfs/dbraw/zinc/68/68/54/408686854.db2.gz JATJXXYSYVQCRT-CPUCHLNUSA-N 2 1 311.470 1.462 10 0 DDAEMP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195282665 222196486 /nfs/dbraw/zinc/19/64/86/222196486.db2.gz HXDCVDMRVHZGGQ-GDBMZVCRSA-N 2 1 304.438 1.312 10 0 DDAEMP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195282665 222196490 /nfs/dbraw/zinc/19/64/90/222196490.db2.gz HXDCVDMRVHZGGQ-GDBMZVCRSA-N 2 1 304.438 1.312 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965903 278209283 /nfs/dbraw/zinc/20/92/83/278209283.db2.gz PZJNXKNCVXDKTE-UYTYNIKBSA-N 2 1 309.498 1.854 10 0 DDAEMP C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965903 278209284 /nfs/dbraw/zinc/20/92/84/278209284.db2.gz PZJNXKNCVXDKTE-UYTYNIKBSA-N 2 1 309.498 1.854 10 0 DDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247558071 282059866 /nfs/dbraw/zinc/05/98/66/282059866.db2.gz RFCAKBHTFWJZHQ-CVEARBPZSA-N 2 1 308.470 1.596 10 0 DDAEMP CCOCC[N@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1CC ZINC000261712711 484254399 /nfs/dbraw/zinc/25/43/99/484254399.db2.gz JIIAWZQBBHVOMZ-ARFHVFGLSA-N 2 1 311.470 1.463 10 0 DDAEMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])sc2C1 ZINC000261719127 484254809 /nfs/dbraw/zinc/25/48/09/484254809.db2.gz JYJWVIREVCCQKY-GHMZBOCLSA-N 2 1 308.451 1.835 10 0 DDAEMP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])sc2C1 ZINC000261719127 484254816 /nfs/dbraw/zinc/25/48/16/484254816.db2.gz JYJWVIREVCCQKY-GHMZBOCLSA-N 2 1 308.451 1.835 10 0 DDAEMP O[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621708 699283103 /nfs/dbraw/zinc/28/31/03/699283103.db2.gz SMTNLNNYIAKVQQ-VPAKFMSCSA-N 2 1 316.445 1.779 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000249086250 282131678 /nfs/dbraw/zinc/13/16/78/282131678.db2.gz BWOGPSVOIHEIAO-HUUCEWRRSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@@]1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)COC[C@@H]1[NH3+] ZINC000090606519 185306270 /nfs/dbraw/zinc/30/62/70/185306270.db2.gz FOGXLMMTAAIKPD-JKSUJKDBSA-N 2 1 309.841 1.826 10 0 DDAEMP CCOC(=O)[C@H]([NH3+])CCSC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000080746766 192186772 /nfs/dbraw/zinc/18/67/72/192186772.db2.gz URYYFTJLUXFBLC-QWHCGFSZSA-N 2 1 304.456 1.109 10 0 DDAEMP CCOC(=O)[C@H]([NH3+])CCSC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000080746766 192186773 /nfs/dbraw/zinc/18/67/73/192186773.db2.gz URYYFTJLUXFBLC-QWHCGFSZSA-N 2 1 304.456 1.109 10 0 DDAEMP CC(C)[NH2+]CCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525859 192283982 /nfs/dbraw/zinc/28/39/82/192283982.db2.gz AVDYBQRWMJMSLH-UHFFFAOYSA-N 2 1 305.348 1.891 10 0 DDAEMP CC(C)[NH2+]CCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081525859 192283985 /nfs/dbraw/zinc/28/39/85/192283985.db2.gz AVDYBQRWMJMSLH-UHFFFAOYSA-N 2 1 305.348 1.891 10 0 DDAEMP [NH3+]Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000186480497 199962930 /nfs/dbraw/zinc/96/29/30/199962930.db2.gz GJWSKWAZMNBYAY-INIZCTEOSA-N 2 1 305.422 1.112 10 0 DDAEMP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720615 193096725 /nfs/dbraw/zinc/09/67/25/193096725.db2.gz KOXYKFTVENCANA-MBNYWOFBSA-N 2 1 312.845 1.598 10 0 DDAEMP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720615 193096727 /nfs/dbraw/zinc/09/67/27/193096727.db2.gz KOXYKFTVENCANA-MBNYWOFBSA-N 2 1 312.845 1.598 10 0 DDAEMP C[NH2+]C1CCC([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695741 193290315 /nfs/dbraw/zinc/29/03/15/193290315.db2.gz HFXYCGUDYNQQPL-NFOMZHRRSA-N 2 1 317.499 1.120 10 0 DDAEMP CC[NH2+][C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)[NH+](C)C ZINC000093700713 193294615 /nfs/dbraw/zinc/29/46/15/193294615.db2.gz LBBPRSKNICVXEK-KGLIPLIRSA-N 2 1 319.515 1.366 10 0 DDAEMP CC[NH2+][C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)C(C)(C)[NH+](C)C ZINC000093700711 193294772 /nfs/dbraw/zinc/29/47/72/193294772.db2.gz LBBPRSKNICVXEK-KBPBESRZSA-N 2 1 319.515 1.366 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000094445764 193370957 /nfs/dbraw/zinc/37/09/57/193370957.db2.gz KYFRLEXGSMZNFE-UKRRQHHQSA-N 2 1 315.483 1.017 10 0 DDAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCC[NH2+]C1CC1 ZINC000094445764 193370960 /nfs/dbraw/zinc/37/09/60/193370960.db2.gz KYFRLEXGSMZNFE-UKRRQHHQSA-N 2 1 315.483 1.017 10 0 DDAEMP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000040716246 183122418 /nfs/dbraw/zinc/12/24/18/183122418.db2.gz MYBAIZOGUXLQNP-JSGCOSHPSA-N 2 1 311.451 1.340 10 0 DDAEMP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000040716246 183122420 /nfs/dbraw/zinc/12/24/20/183122420.db2.gz MYBAIZOGUXLQNP-JSGCOSHPSA-N 2 1 311.451 1.340 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000105174436 194082329 /nfs/dbraw/zinc/08/23/29/194082329.db2.gz PGMXSACJUJADNQ-HOTGVXAUSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000105174436 194082332 /nfs/dbraw/zinc/08/23/32/194082332.db2.gz PGMXSACJUJADNQ-HOTGVXAUSA-N 2 1 310.486 1.890 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000105174436 194082334 /nfs/dbraw/zinc/08/23/34/194082334.db2.gz PGMXSACJUJADNQ-HOTGVXAUSA-N 2 1 310.486 1.890 10 0 DDAEMP [NH3+]C[C@H](c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977977 184264093 /nfs/dbraw/zinc/26/40/93/184264093.db2.gz NENNTJJBLKQANX-JKSUJKDBSA-N 2 1 309.841 1.746 10 0 DDAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261871234 207366740 /nfs/dbraw/zinc/36/67/40/207366740.db2.gz OENUVBRBLHTKPR-UHFFFAOYSA-N 2 1 305.422 1.262 10 0 DDAEMP CC[NH+](CC)CCN(Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000261618160 407555248 /nfs/dbraw/zinc/55/52/48/407555248.db2.gz CQLZROAPZJQFKP-UHFFFAOYSA-N 2 1 317.437 1.872 10 0 DDAEMP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000261670927 407574027 /nfs/dbraw/zinc/57/40/27/407574027.db2.gz BXAIUFSEZUBQNS-LBPRGKRZSA-N 2 1 323.462 1.119 10 0 DDAEMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113579198 407515532 /nfs/dbraw/zinc/51/55/32/407515532.db2.gz UDMAVDQDCZVINH-GDBMZVCRSA-N 2 1 308.470 1.737 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261545212 407541365 /nfs/dbraw/zinc/54/13/65/407541365.db2.gz JQOZYZHRCOVQHG-GVDBMIGSSA-N 2 1 301.434 1.704 10 0 DDAEMP CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261545212 407541371 /nfs/dbraw/zinc/54/13/71/407541371.db2.gz JQOZYZHRCOVQHG-GVDBMIGSSA-N 2 1 301.434 1.704 10 0 DDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000225597814 407597192 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C[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247376895 408458786 /nfs/dbraw/zinc/45/87/86/408458786.db2.gz FWVXOOLNNODDAY-YJBOKZPZSA-N 2 1 313.445 1.740 10 0 DDAEMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2Cn2ccnc2C)no1 ZINC000178301240 408802087 /nfs/dbraw/zinc/80/20/87/408802087.db2.gz CQUPYMZSIGFJHC-AWEZNQCLSA-N 2 1 317.393 1.981 10 0 DDAEMP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178301240 408802091 /nfs/dbraw/zinc/80/20/91/408802091.db2.gz CQUPYMZSIGFJHC-AWEZNQCLSA-N 2 1 317.393 1.981 10 0 DDAEMP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178301240 408802094 /nfs/dbraw/zinc/80/20/94/408802094.db2.gz CQUPYMZSIGFJHC-AWEZNQCLSA-N 2 1 317.393 1.981 10 0 DDAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000393636272 418759014 /nfs/dbraw/zinc/75/90/14/418759014.db2.gz VGPOOHVSJMXJBS-BRWVUGGUSA-N 2 1 301.434 1.752 10 0 DDAEMP C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973366 227289229 /nfs/dbraw/zinc/28/92/29/227289229.db2.gz BVQVXXDVTKRSHO-CGTJXYLNSA-N 2 1 303.450 1.211 10 0 DDAEMP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973366 227289232 /nfs/dbraw/zinc/28/92/32/227289232.db2.gz BVQVXXDVTKRSHO-CGTJXYLNSA-N 2 1 303.450 1.211 10 0 DDAEMP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000246623762 282002347 /nfs/dbraw/zinc/00/23/47/282002347.db2.gz WDDUOJHUBZWHCK-JKSUJKDBSA-N 2 1 311.470 1.022 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000396369644 483994187 /nfs/dbraw/zinc/99/41/87/483994187.db2.gz MTXDVLAELAZIJT-DJIMGWMZSA-N 2 1 301.434 1.847 10 0 DDAEMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000396369644 483994193 /nfs/dbraw/zinc/99/41/93/483994193.db2.gz MTXDVLAELAZIJT-DJIMGWMZSA-N 2 1 301.434 1.847 10 0 DDAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3CCCC[C@H]3O)C2)ccn1 ZINC000886062965 708690729 /nfs/dbraw/zinc/69/07/29/708690729.db2.gz DKSXBECBQVHFMI-FGTMMUONSA-N 2 1 319.449 1.900 10 0 DDAEMP COc1ccc(N2N=[O+]C(=O)C2C[NH2+]Cc2ccccc2)cc1 ZINC000083251032 185221635 /nfs/dbraw/zinc/22/16/35/185221635.db2.gz KPLLICFCRKBWKU-UHFFFAOYSA-O 2 1 312.349 1.955 10 0 DDAEMP CCC[NH2+][C@](C)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435114 185250168 /nfs/dbraw/zinc/25/01/68/185250168.db2.gz DHFZTUASIDULIR-WCQYABFASA-N 2 1 309.376 1.894 10 0 DDAEMP CCC[NH2+][C@](C)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435114 185250169 /nfs/dbraw/zinc/25/01/69/185250169.db2.gz DHFZTUASIDULIR-WCQYABFASA-N 2 1 309.376 1.894 10 0 DDAEMP CC[NH2+]CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092680054 185333586 /nfs/dbraw/zinc/33/35/86/185333586.db2.gz MCZDCHKGJIUWDQ-AWEZNQCLSA-N 2 1 305.488 1.122 10 0 DDAEMP CN(C(=O)C[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237295900 202221315 /nfs/dbraw/zinc/22/13/15/202221315.db2.gz FMVDBKPCTPDYIU-SJPCQFCGSA-N 2 1 301.434 1.860 10 0 DDAEMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237295900 202221319 /nfs/dbraw/zinc/22/13/19/202221319.db2.gz FMVDBKPCTPDYIU-SJPCQFCGSA-N 2 1 301.434 1.860 10 0 DDAEMP [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)C1 ZINC000092205049 193173201 /nfs/dbraw/zinc/17/32/01/193173201.db2.gz YXEOUHJXOYTUJM-UONOGXRCSA-N 2 1 305.447 1.686 10 0 DDAEMP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cc1ccccc1 ZINC000261758021 203110678 /nfs/dbraw/zinc/11/06/78/203110678.db2.gz LOQLLTFBNAWVCG-CVEARBPZSA-N 2 1 305.422 1.131 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000094459103 193371550 /nfs/dbraw/zinc/37/15/50/193371550.db2.gz FKAOFZUBIHDDPM-TZMCWYRMSA-N 2 1 309.435 1.003 10 0 DDAEMP CCC[C@]1(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[NH2+]C1 ZINC000062912199 184259459 /nfs/dbraw/zinc/25/94/59/184259459.db2.gz UPXFMKOKWGZDCW-INIZCTEOSA-N 2 1 310.463 1.960 10 0 DDAEMP Cc1ccsc1C[NH2+]CCN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062974913 184263778 /nfs/dbraw/zinc/26/37/78/184263778.db2.gz AEALANPJVVJBPE-HNNXBMFYSA-N 2 1 309.479 1.553 10 0 DDAEMP C[N@H+]1CCN(c2ncnc3c2CC[NH2+]C3)C[C@@H]1c1ccccc1 ZINC000067691944 407280842 /nfs/dbraw/zinc/28/08/42/407280842.db2.gz RLEZHRPHVVTDLT-QGZVFWFLSA-N 2 1 309.417 1.615 10 0 DDAEMP CC(C)n1ccnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862756 407356203 /nfs/dbraw/zinc/35/62/03/407356203.db2.gz SQCDYBLPGIDALV-OAHLLOKOSA-N 2 1 308.470 1.989 10 0 DDAEMP CC(C)n1ccnc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862756 407356204 /nfs/dbraw/zinc/35/62/04/407356204.db2.gz SQCDYBLPGIDALV-OAHLLOKOSA-N 2 1 308.470 1.989 10 0 DDAEMP CN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000261894471 407659872 /nfs/dbraw/zinc/65/98/72/407659872.db2.gz GZQOVBMWHXOWPK-UPJWGTAASA-N 2 1 309.376 1.227 10 0 DDAEMP Cc1nc(CN2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cs1 ZINC000261869458 407651183 /nfs/dbraw/zinc/65/11/83/407651183.db2.gz OQHWZDVZHJRMHV-INIZCTEOSA-N 2 1 308.495 1.959 10 0 DDAEMP Cc1nc(CN2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cs1 ZINC000261869458 407651188 /nfs/dbraw/zinc/65/11/88/407651188.db2.gz OQHWZDVZHJRMHV-INIZCTEOSA-N 2 1 308.495 1.959 10 0 DDAEMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000153704870 407884717 /nfs/dbraw/zinc/88/47/17/407884717.db2.gz NQLRHICLWSXOKL-GOSISDBHSA-N 2 1 306.450 1.982 10 0 DDAEMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000153704870 407884726 /nfs/dbraw/zinc/88/47/26/407884726.db2.gz NQLRHICLWSXOKL-GOSISDBHSA-N 2 1 306.450 1.982 10 0 DDAEMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263154632 408040015 /nfs/dbraw/zinc/04/00/15/408040015.db2.gz DIBYMICPZQRFOA-RHSMWYFYSA-N 2 1 300.406 1.159 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000246803431 408346123 /nfs/dbraw/zinc/34/61/23/408346123.db2.gz DCHPZJAXPKNRPG-HZPDHXFCSA-N 2 1 310.486 1.746 10 0 DDAEMP COCC[N@@H+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000168029787 162176651 /nfs/dbraw/zinc/17/66/51/162176651.db2.gz LAYSUXMAHWQCBD-HUUCEWRRSA-N 2 1 311.470 1.191 10 0 DDAEMP COCC[N@H+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000168029787 162176652 /nfs/dbraw/zinc/17/66/52/162176652.db2.gz LAYSUXMAHWQCBD-HUUCEWRRSA-N 2 1 311.470 1.191 10 0 DDAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247075760 408402762 /nfs/dbraw/zinc/40/27/62/408402762.db2.gz YUUZICXCFKBHCQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247075760 408402767 /nfs/dbraw/zinc/40/27/67/408402767.db2.gz YUUZICXCFKBHCQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247075760 408402771 /nfs/dbraw/zinc/40/27/71/408402771.db2.gz YUUZICXCFKBHCQ-CVEARBPZSA-N 2 1 308.470 1.741 10 0 DDAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000247098325 408405166 /nfs/dbraw/zinc/40/51/66/408405166.db2.gz IALISERXIRORQR-MAUKXSAKSA-N 2 1 306.450 1.745 10 0 DDAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000176742616 408430040 /nfs/dbraw/zinc/43/00/40/408430040.db2.gz JNFCFMKPJGTFSZ-JKSUJKDBSA-N 2 1 308.470 1.454 10 0 DDAEMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000176742616 408430045 /nfs/dbraw/zinc/43/00/45/408430045.db2.gz JNFCFMKPJGTFSZ-JKSUJKDBSA-N 2 1 308.470 1.454 10 0 DDAEMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000176742616 408430052 /nfs/dbraw/zinc/43/00/52/408430052.db2.gz JNFCFMKPJGTFSZ-JKSUJKDBSA-N 2 1 308.470 1.454 10 0 DDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247478346 408477559 /nfs/dbraw/zinc/47/75/59/408477559.db2.gz SKXCELWNWASULD-OIISXLGYSA-N 2 1 301.434 1.984 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247478346 408477564 /nfs/dbraw/zinc/47/75/64/408477564.db2.gz SKXCELWNWASULD-OIISXLGYSA-N 2 1 301.434 1.984 10 0 DDAEMP CC(=O)N[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191450801 163186730 /nfs/dbraw/zinc/18/67/30/163186730.db2.gz SPRWGLQFDPQONQ-KRWDZBQOSA-N 2 1 310.486 1.003 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000194171393 418540336 /nfs/dbraw/zinc/54/03/36/418540336.db2.gz UIRWQLYLBAHZDZ-HNNXBMFYSA-N 2 1 308.470 1.741 10 0 DDAEMP CCO[C@@H]1CN(c2cc[nH+]cc2Br)C[C@H]1C[NH3+] ZINC000405313493 418775771 /nfs/dbraw/zinc/77/57/71/418775771.db2.gz VNKLZRSYRSSESL-BXKDBHETSA-N 2 1 300.200 1.644 10 0 DDAEMP COC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787877 423343236 /nfs/dbraw/zinc/34/32/36/423343236.db2.gz JXTKMCGPKBPOSV-MAUKXSAKSA-N 2 1 319.449 1.392 10 0 DDAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@@H]2CCC[NH2+]CC2)C1 ZINC000665283712 424774344 /nfs/dbraw/zinc/77/43/44/424774344.db2.gz SUDRHOQKISPOIA-MOPGFXCFSA-N 2 1 316.493 1.534 10 0 DDAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CN[C@@H]2CCC[NH2+]CC2)C1 ZINC000665283712 424774347 /nfs/dbraw/zinc/77/43/47/424774347.db2.gz SUDRHOQKISPOIA-MOPGFXCFSA-N 2 1 316.493 1.534 10 0 DDAEMP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000344559365 272059378 /nfs/dbraw/zinc/05/93/78/272059378.db2.gz ZTBZBXHJZXAINQ-HOTGVXAUSA-N 2 1 314.389 1.255 10 0 DDAEMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785433 280110420 /nfs/dbraw/zinc/11/04/20/280110420.db2.gz PSISNEQLEFCVAE-WTTBNOFXSA-N 2 1 303.450 1.964 10 0 DDAEMP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261785433 280110421 /nfs/dbraw/zinc/11/04/21/280110421.db2.gz PSISNEQLEFCVAE-WTTBNOFXSA-N 2 1 303.450 1.964 10 0 DDAEMP C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991895 308207666 /nfs/dbraw/zinc/20/76/66/308207666.db2.gz AXQMOEMXMBAKOB-UHOSZYNNSA-N 2 1 317.477 1.601 10 0 DDAEMP C[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991895 308207667 /nfs/dbraw/zinc/20/76/67/308207667.db2.gz AXQMOEMXMBAKOB-UHOSZYNNSA-N 2 1 317.477 1.601 10 0 DDAEMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261920666 698444819 /nfs/dbraw/zinc/44/48/19/698444819.db2.gz KGKCCHSBBHMDQX-BBWFWOEESA-N 2 1 323.481 1.380 10 0 DDAEMP COC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719961878 699303419 /nfs/dbraw/zinc/30/34/19/699303419.db2.gz KPGUNXYHLJHFMJ-SJORKVTESA-N 2 1 319.449 1.473 10 0 DDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000249086252 282131509 /nfs/dbraw/zinc/13/15/09/282131509.db2.gz BWOGPSVOIHEIAO-LSDHHAIUSA-N 2 1 310.486 1.841 10 0 DDAEMP C[C@](C[NH3+])(CCc1ccc(OC(F)F)cc1)[NH2+]CCCO ZINC000087929857 185237536 /nfs/dbraw/zinc/23/75/36/185237536.db2.gz QVPAMMPJZDZUDY-OAHLLOKOSA-N 2 1 302.365 1.910 10 0 DDAEMP C[C@@H](C[NH+]1CCCC1)Nc1nc(NN)[nH+]cc1Br ZINC000087865396 185233863 /nfs/dbraw/zinc/23/38/63/185233863.db2.gz JAMGTTRZSPLJFF-QMMMGPOBSA-N 2 1 315.219 1.421 10 0 DDAEMP CC[NH2+][C@@](C)(C[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435565 185250238 /nfs/dbraw/zinc/25/02/38/185250238.db2.gz PKZUVJKYJHJSLZ-MFKMUULPSA-N 2 1 309.376 1.893 10 0 DDAEMP C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000092633972 185330486 /nfs/dbraw/zinc/33/04/86/185330486.db2.gz MONVGWXHFYXNME-AWEZNQCLSA-N 2 1 311.451 1.121 10 0 DDAEMP CCNC(=O)CC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195294062 354295763 /nfs/dbraw/zinc/29/57/63/354295763.db2.gz XAPQDYPEFUZYIG-MRXNPFEDSA-N 2 1 304.438 1.362 10 0 DDAEMP CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195294062 354295766 /nfs/dbraw/zinc/29/57/66/354295766.db2.gz XAPQDYPEFUZYIG-MRXNPFEDSA-N 2 1 304.438 1.362 10 0 DDAEMP CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195294062 354295769 /nfs/dbraw/zinc/29/57/69/354295769.db2.gz XAPQDYPEFUZYIG-MRXNPFEDSA-N 2 1 304.438 1.362 10 0 DDAEMP CCNC(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195294062 354295772 /nfs/dbraw/zinc/29/57/72/354295772.db2.gz XAPQDYPEFUZYIG-MRXNPFEDSA-N 2 1 304.438 1.362 10 0 DDAEMP CCNC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195294062 354295775 /nfs/dbraw/zinc/29/57/75/354295775.db2.gz XAPQDYPEFUZYIG-MRXNPFEDSA-N 2 1 304.438 1.362 10 0 DDAEMP CC[N@@H+]1CCO[C@H](CN(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000092080287 193154481 /nfs/dbraw/zinc/15/44/81/193154481.db2.gz LRNLHDDXGOLPFZ-ZDUSSCGKSA-N 2 1 309.376 1.323 10 0 DDAEMP CC[N@H+]1CCO[C@H](CN(CC(F)(F)F)C2CC[NH2+]CC2)C1 ZINC000092080287 193154483 /nfs/dbraw/zinc/15/44/83/193154483.db2.gz LRNLHDDXGOLPFZ-ZDUSSCGKSA-N 2 1 309.376 1.323 10 0 DDAEMP COCC[N@H+](C)CC[C@H]1CCC[C@@]1([NH2+]C(C)C)C(=O)OC ZINC000093591870 193270884 /nfs/dbraw/zinc/27/08/84/193270884.db2.gz FCBRLMADRMMQKQ-ZBFHGGJFSA-N 2 1 300.443 1.665 10 0 DDAEMP COCC[N@@H+](C)CC[C@H]1CCC[C@@]1([NH2+]C(C)C)C(=O)OC ZINC000093591870 193270885 /nfs/dbraw/zinc/27/08/85/193270885.db2.gz FCBRLMADRMMQKQ-ZBFHGGJFSA-N 2 1 300.443 1.665 10 0 DDAEMP CC[NH2+][C@@]1(C(N)=O)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093831909 193314308 /nfs/dbraw/zinc/31/43/08/193314308.db2.gz HKVFLANDKKBBOV-AAEUAGOBSA-N 2 1 307.360 1.647 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000041675959 183215090 /nfs/dbraw/zinc/21/50/90/183215090.db2.gz LKTCRQCNKXKAGM-UHFFFAOYSA-N 2 1 313.467 1.544 10 0 DDAEMP CC(C)[N@@H+](C)CCCCNS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000041681319 183216150 /nfs/dbraw/zinc/21/61/50/183216150.db2.gz LKNWBHFDTGAUGG-HNNXBMFYSA-N 2 1 319.515 1.558 10 0 DDAEMP CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000042945237 183319923 /nfs/dbraw/zinc/31/99/23/183319923.db2.gz AQHDRZRABOLWJN-HOTGVXAUSA-N 2 1 311.857 1.728 10 0 DDAEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105273051 194090824 /nfs/dbraw/zinc/09/08/24/194090824.db2.gz JYBOHUKVDKKNLP-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105273051 194090825 /nfs/dbraw/zinc/09/08/25/194090825.db2.gz JYBOHUKVDKKNLP-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105273051 194090827 /nfs/dbraw/zinc/09/08/27/194090827.db2.gz JYBOHUKVDKKNLP-DLBZAZTESA-N 2 1 322.497 1.987 10 0 DDAEMP CN(Cc1cccc(Br)c1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990420 184200148 /nfs/dbraw/zinc/20/01/48/184200148.db2.gz KCXRVQBMVHYHRP-AWEZNQCLSA-N 2 1 312.255 1.914 10 0 DDAEMP C[C@H](C[NH2+]Cc1cccs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062974840 184263582 /nfs/dbraw/zinc/26/35/82/184263582.db2.gz IMXFCTDYHCCBHE-CABCVRRESA-N 2 1 309.479 1.633 10 0 DDAEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262395686 296384146 /nfs/dbraw/zinc/38/41/46/296384146.db2.gz YEWWSKZAEIDBKH-CQSZACIVSA-N 2 1 311.470 1.369 10 0 DDAEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963877 407096626 /nfs/dbraw/zinc/09/66/26/407096626.db2.gz PSGLIMHEUBSNLC-MSOLQXFVSA-N 2 1 306.450 1.838 10 0 DDAEMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963877 407096628 /nfs/dbraw/zinc/09/66/28/407096628.db2.gz PSGLIMHEUBSNLC-MSOLQXFVSA-N 2 1 306.450 1.838 10 0 DDAEMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963877 407096631 /nfs/dbraw/zinc/09/66/31/407096631.db2.gz PSGLIMHEUBSNLC-MSOLQXFVSA-N 2 1 306.450 1.838 10 0 DDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000123414365 407328270 /nfs/dbraw/zinc/32/82/70/407328270.db2.gz OBJHXOYTGZMDMI-ARFHVFGLSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000123414365 407328272 /nfs/dbraw/zinc/32/82/72/407328272.db2.gz OBJHXOYTGZMDMI-ARFHVFGLSA-N 2 1 310.486 1.746 10 0 DDAEMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000123414365 407328273 /nfs/dbraw/zinc/32/82/73/407328273.db2.gz OBJHXOYTGZMDMI-ARFHVFGLSA-N 2 1 310.486 1.746 10 0 DDAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000111875502 407419076 /nfs/dbraw/zinc/41/90/76/407419076.db2.gz XQIWZANWKZWUDR-WBVHZDCISA-N 2 1 318.465 1.852 10 0 DDAEMP C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261713641 407589687 /nfs/dbraw/zinc/58/96/87/407589687.db2.gz MUHDRWCOHVQQLV-MXSMSXNCSA-N 2 1 315.461 1.869 10 0 DDAEMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261953990 407688352 /nfs/dbraw/zinc/68/83/52/407688352.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@]3(C)CC[NH2+]C3)CCCN2C)cn1 ZINC000261953990 407688357 /nfs/dbraw/zinc/68/83/57/407688357.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 2 1 319.497 1.734 10 0 DDAEMP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@]3(C)CC[NH2+]C3)CCCN2C)cn1 ZINC000261953990 407688365 /nfs/dbraw/zinc/68/83/65/407688365.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 2 1 319.497 1.734 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132777248 407801970 /nfs/dbraw/zinc/80/19/70/407801970.db2.gz JVZOZFIUJWTMGI-SJORKVTESA-N 2 1 317.433 1.050 10 0 DDAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132777248 407801974 /nfs/dbraw/zinc/80/19/74/407801974.db2.gz JVZOZFIUJWTMGI-SJORKVTESA-N 2 1 317.433 1.050 10 0 DDAEMP COC[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262342533 407806295 /nfs/dbraw/zinc/80/62/95/407806295.db2.gz IBQWBYTYSREXRH-HDEZJCGLSA-N 2 1 319.449 1.233 10 0 DDAEMP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126797 408031855 /nfs/dbraw/zinc/03/18/55/408031855.db2.gz BJDRZEURLFVOEM-BZZMCLGOSA-N 2 1 303.450 1.209 10 0 DDAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000263209043 408059510 /nfs/dbraw/zinc/05/95/10/408059510.db2.gz KAZJXUUPNNCSRL-IUODEOHRSA-N 2 1 306.797 1.196 10 0 DDAEMP COc1sc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1Br ZINC000263211731 408059569 /nfs/dbraw/zinc/05/95/69/408059569.db2.gz KICOUEDRMVWMOK-XVKPBYJWSA-N 2 1 321.240 1.189 10 0 DDAEMP Cn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccccc2Cl)n1 ZINC000263240765 408071498 /nfs/dbraw/zinc/07/14/98/408071498.db2.gz OOOMLMCMZZPTTC-NHYWBVRUSA-N 2 1 320.824 1.410 10 0 DDAEMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000263255849 408079256 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10 0 DDAEMP CN(c1nc(NN)[nH+]cc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000087869747 185234199 /nfs/dbraw/zinc/23/41/99/185234199.db2.gz ZJLJHFZWAUPSSC-QMMMGPOBSA-N 2 1 315.219 1.055 10 0 DDAEMP CN(c1nc(NN)[nH+]cc1Br)[C@H]1CCC[N@@H+](C)C1 ZINC000087869747 185234200 /nfs/dbraw/zinc/23/42/00/185234200.db2.gz ZJLJHFZWAUPSSC-QMMMGPOBSA-N 2 1 315.219 1.055 10 0 DDAEMP CCC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1)[NH+](C)C ZINC000252799230 282211739 /nfs/dbraw/zinc/21/17/39/282211739.db2.gz AGYLHINKBKLTBI-HOTGVXAUSA-N 2 1 313.486 1.676 10 0 DDAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000092675344 185333278 /nfs/dbraw/zinc/33/32/78/185333278.db2.gz OIPVSAWCPRKBIX-LLVKDONJSA-N 2 1 311.817 1.577 10 0 DDAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000092675344 185333279 /nfs/dbraw/zinc/33/32/79/185333279.db2.gz OIPVSAWCPRKBIX-LLVKDONJSA-N 2 1 311.817 1.577 10 0 DDAEMP CC(C)c1nccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000072153676 191058364 /nfs/dbraw/zinc/05/83/64/191058364.db2.gz GKMQRDAEHZIJTE-QGZVFWFLSA-N 2 1 306.454 1.879 10 0 DDAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698407 193292560 /nfs/dbraw/zinc/29/25/60/193292560.db2.gz QUBFUMMMINBCGH-GJZGRUSLSA-N 2 1 317.499 1.122 10 0 DDAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111146028 194395228 /nfs/dbraw/zinc/39/52/28/194395228.db2.gz QOBZZWGOCKSVPO-MRXNPFEDSA-N 3 1 300.491 1.284 10 0 DDAEMP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCCN(C)C)C(N)=O ZINC000111146028 194395230 /nfs/dbraw/zinc/39/52/30/194395230.db2.gz QOBZZWGOCKSVPO-MRXNPFEDSA-N 2 1 300.491 1.284 10 0 DDAEMP CCC[NH2+][C@](C)(CCCC[N@@H+](C)CCCN(C)C)C(N)=O ZINC000111146028 194395232 /nfs/dbraw/zinc/39/52/32/194395232.db2.gz QOBZZWGOCKSVPO-MRXNPFEDSA-N 2 1 300.491 1.284 10 0 DDAEMP CN(Cc1ccccc1Br)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990424 184199767 /nfs/dbraw/zinc/19/97/67/184199767.db2.gz OCXIDMNAOFJZAH-AWEZNQCLSA-N 2 1 312.255 1.914 10 0 DDAEMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000062066180 184203724 /nfs/dbraw/zinc/20/37/24/184203724.db2.gz ZLUAKPZYKHNROK-INIZCTEOSA-N 2 1 307.413 1.858 10 0 DDAEMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1F ZINC000062066180 184203725 /nfs/dbraw/zinc/20/37/25/184203725.db2.gz ZLUAKPZYKHNROK-INIZCTEOSA-N 2 1 307.413 1.858 10 0 DDAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000245927562 285265617 /nfs/dbraw/zinc/26/56/17/285265617.db2.gz HVMFJKAPXRHUPR-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000245927562 285265621 /nfs/dbraw/zinc/26/56/21/285265621.db2.gz HVMFJKAPXRHUPR-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000245927562 285265623 /nfs/dbraw/zinc/26/56/23/285265623.db2.gz HVMFJKAPXRHUPR-PMPSAXMXSA-N 2 1 308.470 1.596 10 0 DDAEMP COCCn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261654576 407568824 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2 1 312.413 1.936 10 0 DDAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000246353111 408231188 /nfs/dbraw/zinc/23/11/88/408231188.db2.gz GGMHJRSWHMUOHT-ZNMIVQPWSA-N 2 1 310.486 1.887 10 0 DDAEMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000173653870 162353460 /nfs/dbraw/zinc/35/34/60/162353460.db2.gz IBXWMBNKLJTONF-GOEBONIOSA-N 2 1 319.453 1.110 10 0 DDAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000247332830 408451249 /nfs/dbraw/zinc/45/12/49/408451249.db2.gz NAWUYTTUHGNFLA-CZUORRHYSA-N 2 1 308.470 1.641 10 0 DDAEMP CCc1noc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000247254115 408439100 /nfs/dbraw/zinc/43/91/00/408439100.db2.gz UFFDHBVYZFQIIQ-STQMWFEESA-N 2 1 310.442 1.718 10 0 DDAEMP CCc1noc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000247254115 408439104 /nfs/dbraw/zinc/43/91/04/408439104.db2.gz UFFDHBVYZFQIIQ-STQMWFEESA-N 2 1 310.442 1.718 10 0 DDAEMP CC[C@](C)(O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249369210 408720106 /nfs/dbraw/zinc/72/01/06/408720106.db2.gz NBWFWCPFLVCXGH-ROUUACIJSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@](C)(O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249369210 408720112 /nfs/dbraw/zinc/72/01/12/408720112.db2.gz NBWFWCPFLVCXGH-ROUUACIJSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@](C)(O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249369210 408720116 /nfs/dbraw/zinc/72/01/16/408720116.db2.gz NBWFWCPFLVCXGH-ROUUACIJSA-N 2 1 306.450 1.716 10 0 DDAEMP CC[C@](C)(O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249369210 408720119 /nfs/dbraw/zinc/72/01/19/408720119.db2.gz NBWFWCPFLVCXGH-ROUUACIJSA-N 2 1 306.450 1.716 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000195294315 222196108 /nfs/dbraw/zinc/19/61/08/222196108.db2.gz WTIFCDBHHCLFTB-INIZCTEOSA-N 2 1 318.465 1.750 10 0 DDAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000195294315 222196109 /nfs/dbraw/zinc/19/61/09/222196109.db2.gz WTIFCDBHHCLFTB-INIZCTEOSA-N 2 1 318.465 1.750 10 0 DDAEMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649335556 423761954 /nfs/dbraw/zinc/76/19/54/423761954.db2.gz JPNJTDNBAGIRSI-IAGOWNOFSA-N 2 1 317.433 1.003 10 0 DDAEMP C[C@@H]1CCCN(c2nc(N3CC[NH2+]CC3)c3c([nH+]2)CCC3)C1 ZINC000057328780 274292462 /nfs/dbraw/zinc/29/24/62/274292462.db2.gz FMUSZHWROJQFRZ-CYBMUJFWSA-N 2 1 301.438 1.611 10 0 DDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247560284 288308138 /nfs/dbraw/zinc/30/81/38/288308138.db2.gz ZYWUQOQPSLPDCQ-CJNGLKHVSA-N 2 1 306.454 1.491 10 0 DDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000262075798 484261053 /nfs/dbraw/zinc/26/10/53/484261053.db2.gz DIGAKFHLRAJAAR-AEFFLSMTSA-N 2 1 313.401 1.331 10 0 DDAEMP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262030323 698450959 /nfs/dbraw/zinc/45/09/59/698450959.db2.gz XJWDGIRHMVSOOX-QBPKDAKJSA-N 2 1 308.397 1.606 10 0 DDAEMP