smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCSCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096756280 185386384 /nfs/dbraw/zinc/38/63/84/185386384.db2.gz YZQIHBJECRROBF-QPJJXVBHSA-N 2 2 319.474 1.536 10 0 DDAELP C[NH+]1CCC([NH+]2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000082358422 185177786 /nfs/dbraw/zinc/17/77/86/185177786.db2.gz QQFZYHYMVSDALX-UHFFFAOYSA-N 2 2 308.470 1.741 10 0 DDAELP Cc1nnc(SCc2cn3cccc(C)c3[nH+]2)n1CC[NH3+] ZINC000087715171 185230987 /nfs/dbraw/zinc/23/09/87/185230987.db2.gz GNNLSVBVDRQCIA-UHFFFAOYSA-N 2 2 302.407 1.794 10 0 DDAELP NNc1nc(OCC[NH+]2CCCCC2)c(Br)c[nH+]1 ZINC000087885309 185234306 /nfs/dbraw/zinc/23/43/06/185234306.db2.gz JZAKSMOSNOPFFQ-UHFFFAOYSA-N 2 2 316.203 1.389 10 0 DDAELP CN(C)c1cc[nH+]cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000185186666 539245795 /nfs/dbraw/zinc/24/57/95/539245795.db2.gz WWPNZTHYFFKZEZ-UHFFFAOYSA-N 3 2 305.470 1.265 10 0 DDAELP c1cc(-c2nc(C[NH+]3CCN(C4C[NH2+]C4)CC3)cs2)cs1 ZINC000090307476 185290282 /nfs/dbraw/zinc/29/02/82/185290282.db2.gz OYBRVBSNHQLVDL-UHFFFAOYSA-N 2 2 320.487 1.961 10 0 DDAELP CC[C@@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000164151437 186150608 /nfs/dbraw/zinc/15/06/08/186150608.db2.gz LSXNCURRUONSEN-IRXDYDNUSA-N 2 2 319.449 1.204 10 0 DDAELP CCn1ncnc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354313 201037353 /nfs/dbraw/zinc/03/73/53/201037353.db2.gz GQRPDLZXNQGWDA-CQSZACIVSA-N 2 2 300.410 1.935 10 0 DDAELP CCn1ncnc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354313 201037357 /nfs/dbraw/zinc/03/73/57/201037357.db2.gz GQRPDLZXNQGWDA-CQSZACIVSA-N 2 2 300.410 1.935 10 0 DDAELP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282162 201373724 /nfs/dbraw/zinc/37/37/24/201373724.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 2 2 318.465 1.704 10 0 DDAELP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282162 201373726 /nfs/dbraw/zinc/37/37/26/201373726.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 2 2 318.465 1.704 10 0 DDAELP CCN(CC)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282162 201373728 /nfs/dbraw/zinc/37/37/28/201373728.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 2 2 318.465 1.704 10 0 DDAELP CCN(CC)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282162 201373730 /nfs/dbraw/zinc/37/37/30/201373730.db2.gz RFTWPGLPSAOTGR-QGZVFWFLSA-N 2 2 318.465 1.704 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195299823 201375984 /nfs/dbraw/zinc/37/59/84/201375984.db2.gz UMEGORBKGBFCIQ-DLBZAZTESA-N 2 2 317.433 1.789 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195299823 201375989 /nfs/dbraw/zinc/37/59/89/201375989.db2.gz UMEGORBKGBFCIQ-DLBZAZTESA-N 2 2 317.433 1.789 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195299823 201375992 /nfs/dbraw/zinc/37/59/92/201375992.db2.gz UMEGORBKGBFCIQ-DLBZAZTESA-N 2 2 317.433 1.789 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195299823 201375996 /nfs/dbraw/zinc/37/59/96/201375996.db2.gz UMEGORBKGBFCIQ-DLBZAZTESA-N 2 2 317.433 1.789 10 0 DDAELP [NH3+]Cc1nc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cs1 ZINC000091685757 193092183 /nfs/dbraw/zinc/09/21/83/193092183.db2.gz SHRXTRVCKVJWCE-SCZZXKLOSA-N 2 2 307.379 1.188 10 0 DDAELP [NH3+]Cc1nc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cs1 ZINC000091685757 193092184 /nfs/dbraw/zinc/09/21/84/193092184.db2.gz SHRXTRVCKVJWCE-SCZZXKLOSA-N 2 2 307.379 1.188 10 0 DDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696641 193292089 /nfs/dbraw/zinc/29/20/89/193292089.db2.gz NFQKHLHGRXPYIW-CABCVRRESA-N 2 2 319.515 1.224 10 0 DDAELP C[N@H+](CC(=O)Nc1ccc(Cl)cc1N)C1CC[NH+](C)CC1 ZINC000021517406 182277525 /nfs/dbraw/zinc/27/75/25/182277525.db2.gz QYSIDZRBIIPESR-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1N)C1CC[NH+](C)CC1 ZINC000021517406 182277527 /nfs/dbraw/zinc/27/75/27/182277527.db2.gz QYSIDZRBIIPESR-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(Sc3ccccc3)c2N)CC1 ZINC000040756917 183129488 /nfs/dbraw/zinc/12/94/88/183129488.db2.gz YYAQEMMHKHFASB-UHFFFAOYSA-N 2 2 316.434 1.784 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(OC3CCCCC3)c2N)CC1 ZINC000040757069 183129597 /nfs/dbraw/zinc/12/95/97/183129597.db2.gz QELOEPMANMJVAS-UHFFFAOYSA-N 2 2 306.414 1.345 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000105897657 194162229 /nfs/dbraw/zinc/16/22/29/194162229.db2.gz WAVPYWVYKODXIX-HNNXBMFYSA-N 2 2 304.438 1.951 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000105897657 194162231 /nfs/dbraw/zinc/16/22/31/194162231.db2.gz WAVPYWVYKODXIX-HNNXBMFYSA-N 2 2 304.438 1.951 10 0 DDAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933705 184197054 /nfs/dbraw/zinc/19/70/54/184197054.db2.gz DSSWLSSBUGVJEQ-INIZCTEOSA-N 2 2 300.443 1.810 10 0 DDAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCCOCC1)C(=O)OCC ZINC000061933705 184197055 /nfs/dbraw/zinc/19/70/55/184197055.db2.gz DSSWLSSBUGVJEQ-INIZCTEOSA-N 2 2 300.443 1.810 10 0 DDAELP CCc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062978693 184264336 /nfs/dbraw/zinc/26/43/36/184264336.db2.gz BBLNQCLECQYHGW-ZFWWWQNUSA-N 2 2 309.479 1.717 10 0 DDAELP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH+](CC3CC3)CCO[C@H]2C1 ZINC000248007308 257112374 /nfs/dbraw/zinc/11/23/74/257112374.db2.gz DZQLBRMLAHXNPQ-CABCVRRESA-N 2 2 307.463 1.994 10 0 DDAELP Cc1ncsc1C[N@H+]1C[C@H]2C[NH+](CC3CC3)CCO[C@H]2C1 ZINC000248007308 257112376 /nfs/dbraw/zinc/11/23/76/257112376.db2.gz DZQLBRMLAHXNPQ-CABCVRRESA-N 2 2 307.463 1.994 10 0 DDAELP Cc1ncsc1C[NH+]1C[C@H]2C[N@H+](CC3CC3)CCO[C@H]2C1 ZINC000248007308 257112377 /nfs/dbraw/zinc/11/23/77/257112377.db2.gz DZQLBRMLAHXNPQ-CABCVRRESA-N 2 2 307.463 1.994 10 0 DDAELP Cc1ncsc1C[NH+]1C[C@H]2C[N@@H+](CC3CC3)CCO[C@H]2C1 ZINC000248007308 257112379 /nfs/dbraw/zinc/11/23/79/257112379.db2.gz DZQLBRMLAHXNPQ-CABCVRRESA-N 2 2 307.463 1.994 10 0 DDAELP c1cc(OC[C@@H]2CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]32)cc[nH+]1 ZINC000247881189 257115448 /nfs/dbraw/zinc/11/54/48/257115448.db2.gz JEISBUHYTHJZBP-COXVUDFISA-N 2 2 304.390 1.586 10 0 DDAELP c1cc(OC[C@@H]2CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]32)cc[nH+]1 ZINC000247881189 257115449 /nfs/dbraw/zinc/11/54/49/257115449.db2.gz JEISBUHYTHJZBP-COXVUDFISA-N 2 2 304.390 1.586 10 0 DDAELP CO[C@@H](C)c1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261821680 407629264 /nfs/dbraw/zinc/62/92/64/407629264.db2.gz SGYLXZIKVOBCOF-CFVMTHIKSA-N 2 2 316.405 1.951 10 0 DDAELP CO[C@@H](C)c1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261821680 407629268 /nfs/dbraw/zinc/62/92/68/407629268.db2.gz SGYLXZIKVOBCOF-CFVMTHIKSA-N 2 2 316.405 1.951 10 0 DDAELP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000245465300 407989878 /nfs/dbraw/zinc/98/98/78/407989878.db2.gz INHROZLJQQOBFF-GJZGRUSLSA-N 2 2 302.422 1.825 10 0 DDAELP CC(C)N1CC[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000245465300 407989884 /nfs/dbraw/zinc/98/98/84/407989884.db2.gz INHROZLJQQOBFF-GJZGRUSLSA-N 2 2 302.422 1.825 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000263191640 408053315 /nfs/dbraw/zinc/05/33/15/408053315.db2.gz HZAJDVVXYMJJAC-MLGOLLRUSA-N 2 2 309.841 1.610 10 0 DDAELP Cc1ccc(-c2nc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cs2)cc1 ZINC000263271520 408085466 /nfs/dbraw/zinc/08/54/66/408085466.db2.gz SGMMFGBKHWGZDK-ZFWWWQNUSA-N 2 2 303.431 1.788 10 0 DDAELP Cc1cccn2c(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c[nH+]c12 ZINC000120633841 408134888 /nfs/dbraw/zinc/13/48/88/408134888.db2.gz VOXCFQMRKMFKHI-HUUCEWRRSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1cccn2c(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)c[nH+]c12 ZINC000120633841 408134894 /nfs/dbraw/zinc/13/48/94/408134894.db2.gz VOXCFQMRKMFKHI-HUUCEWRRSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000178328019 408805691 /nfs/dbraw/zinc/80/56/91/408805691.db2.gz PQENNKBILUNHRO-HOTGVXAUSA-N 2 2 319.405 1.827 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000178328019 408805695 /nfs/dbraw/zinc/80/56/95/408805695.db2.gz PQENNKBILUNHRO-HOTGVXAUSA-N 2 2 319.405 1.827 10 0 DDAELP Cc1noc([C@@H](C)N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162971988 408749317 /nfs/dbraw/zinc/74/93/17/408749317.db2.gz MIFJJAIHCMQQJE-HIFRSBDPSA-N 2 2 307.442 1.541 10 0 DDAELP Cc1noc([C@@H](C)N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000162971988 408749323 /nfs/dbraw/zinc/74/93/23/408749323.db2.gz MIFJJAIHCMQQJE-HIFRSBDPSA-N 2 2 307.442 1.541 10 0 DDAELP Nc1ccc(N[C@H]2CCC[N@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328645655 418607167 /nfs/dbraw/zinc/60/71/67/418607167.db2.gz SFQSFZUAZNTLLU-NSHDSACASA-N 2 2 304.423 1.982 10 0 DDAELP Nc1ccc(N[C@H]2CCC[N@@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328645655 418607169 /nfs/dbraw/zinc/60/71/69/418607169.db2.gz SFQSFZUAZNTLLU-NSHDSACASA-N 2 2 304.423 1.982 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404330911 418770717 /nfs/dbraw/zinc/77/07/17/418770717.db2.gz YXNUSMRHYMOJIT-MPTYRVRUSA-N 2 2 319.449 1.470 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404330911 418770719 /nfs/dbraw/zinc/77/07/19/418770719.db2.gz YXNUSMRHYMOJIT-MPTYRVRUSA-N 2 2 319.449 1.470 10 0 DDAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648814 422532703 /nfs/dbraw/zinc/53/27/03/422532703.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 3 2 317.477 1.507 10 0 DDAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648814 422532706 /nfs/dbraw/zinc/53/27/06/422532706.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648814 422532707 /nfs/dbraw/zinc/53/27/07/422532707.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648814 422532708 /nfs/dbraw/zinc/53/27/08/422532708.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 3 2 317.477 1.507 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000176077427 697400986 /nfs/dbraw/zinc/40/09/86/697400986.db2.gz RFLBZNCVQLGTEL-CYBMUJFWSA-N 2 2 304.394 1.399 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000178298176 282214238 /nfs/dbraw/zinc/21/42/38/282214238.db2.gz WNICHRMYDTXBAG-NSHDSACASA-N 2 2 304.316 1.334 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000178298176 282214246 /nfs/dbraw/zinc/21/42/46/282214246.db2.gz WNICHRMYDTXBAG-NSHDSACASA-N 2 2 304.316 1.334 10 0 DDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000154655768 354207410 /nfs/dbraw/zinc/20/74/10/354207410.db2.gz YZHHESLGNXZRPE-AWEZNQCLSA-N 2 2 323.462 1.332 10 0 DDAELP [NH3+][C@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000237896864 202382701 /nfs/dbraw/zinc/38/27/01/202382701.db2.gz KPLJMTNJYRTKGJ-GJZGRUSLSA-N 2 2 302.422 1.816 10 0 DDAELP CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@H+](C)CCN1C ZINC000093895493 193325487 /nfs/dbraw/zinc/32/54/87/193325487.db2.gz PPDUEHFAESEPCR-GXTWGEPZSA-N 2 2 313.877 1.148 10 0 DDAELP CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@@H+](C)CCN1C ZINC000093895493 193325488 /nfs/dbraw/zinc/32/54/88/193325488.db2.gz PPDUEHFAESEPCR-GXTWGEPZSA-N 2 2 313.877 1.148 10 0 DDAELP C[N@H+](CCS(C)(=O)=O)Cc1c2ccccc2sc1C[NH3+] ZINC000094300876 193358816 /nfs/dbraw/zinc/35/88/16/193358816.db2.gz YKFLRJITJVLQEU-UHFFFAOYSA-N 2 2 312.460 1.836 10 0 DDAELP C[N@@H+](CCS(C)(=O)=O)Cc1c2ccccc2sc1C[NH3+] ZINC000094300876 193358817 /nfs/dbraw/zinc/35/88/17/193358817.db2.gz YKFLRJITJVLQEU-UHFFFAOYSA-N 2 2 312.460 1.836 10 0 DDAELP C[NH2+][C@H](Cc1ccccc1Br)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509406 193375942 /nfs/dbraw/zinc/37/59/42/193375942.db2.gz DCOKEKGVJNEKNJ-CABCVRRESA-N 2 2 324.266 1.579 10 0 DDAELP C[N@H+](CC(=O)Nc1ccc(Cl)c(N)c1)C1CC[NH+](C)CC1 ZINC000019775296 182147016 /nfs/dbraw/zinc/14/70/16/182147016.db2.gz AVICIGPTYIBPBG-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP C[N@@H+](CC(=O)Nc1ccc(Cl)c(N)c1)C1CC[NH+](C)CC1 ZINC000019775296 182147019 /nfs/dbraw/zinc/14/70/19/182147019.db2.gz AVICIGPTYIBPBG-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C[C@H]1C ZINC000119808887 195040069 /nfs/dbraw/zinc/04/00/69/195040069.db2.gz IDWOBHQSNSNVRU-CQSZACIVSA-N 2 2 306.410 1.965 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C[C@H]1C ZINC000119808887 195040071 /nfs/dbraw/zinc/04/00/71/195040071.db2.gz IDWOBHQSNSNVRU-CQSZACIVSA-N 2 2 306.410 1.965 10 0 DDAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)CCCOC)C12CCOCC2 ZINC000186358634 286386243 /nfs/dbraw/zinc/38/62/43/286386243.db2.gz DPYQTIFZBRLVFI-JKSUJKDBSA-N 2 2 314.470 1.519 10 0 DDAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)CCCOC)C12CCOCC2 ZINC000186358634 286386244 /nfs/dbraw/zinc/38/62/44/286386244.db2.gz DPYQTIFZBRLVFI-JKSUJKDBSA-N 2 2 314.470 1.519 10 0 DDAELP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260252 407445183 /nfs/dbraw/zinc/44/51/83/407445183.db2.gz YWOADZJOTCXTFB-ZIAGYGMSSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195260252 407445191 /nfs/dbraw/zinc/44/51/91/407445191.db2.gz YWOADZJOTCXTFB-ZIAGYGMSSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195260252 407445198 /nfs/dbraw/zinc/44/51/98/407445198.db2.gz YWOADZJOTCXTFB-ZIAGYGMSSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195260252 407445204 /nfs/dbraw/zinc/44/52/04/407445204.db2.gz YWOADZJOTCXTFB-ZIAGYGMSSA-N 2 2 313.467 1.213 10 0 DDAELP CC(C)c1nc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262098837 407739435 /nfs/dbraw/zinc/73/94/35/407739435.db2.gz LXUGHEYYPXKDAV-CYBMUJFWSA-N 2 2 321.425 1.152 10 0 DDAELP CC(C)c1nc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262098837 407739440 /nfs/dbraw/zinc/73/94/40/407739440.db2.gz LXUGHEYYPXKDAV-CYBMUJFWSA-N 2 2 321.425 1.152 10 0 DDAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(C2CC2)n1C ZINC000179253849 407761292 /nfs/dbraw/zinc/76/12/92/407761292.db2.gz KHCSZHKAFRHVAV-UHFFFAOYSA-N 2 2 320.485 1.150 10 0 DDAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(C2CC2)n1C ZINC000179253849 407761298 /nfs/dbraw/zinc/76/12/98/407761298.db2.gz KHCSZHKAFRHVAV-UHFFFAOYSA-N 2 2 320.485 1.150 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000263122389 408033083 /nfs/dbraw/zinc/03/30/83/408033083.db2.gz BAFJFZPXUNMRHD-RDDDGLTNSA-N 2 2 321.165 1.397 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000263216989 408060646 /nfs/dbraw/zinc/06/06/46/408060646.db2.gz LBAFDTCJXVTKSU-WBVHZDCISA-N 2 2 301.365 1.558 10 0 DDAELP O[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000119518307 408085136 /nfs/dbraw/zinc/08/51/36/408085136.db2.gz FWDJNFNIFZRVTC-AWEZNQCLSA-N 2 2 305.426 1.557 10 0 DDAELP O[C@@H](CNc1cc(NCC2CC2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000119518307 408085142 /nfs/dbraw/zinc/08/51/42/408085142.db2.gz FWDJNFNIFZRVTC-AWEZNQCLSA-N 2 2 305.426 1.557 10 0 DDAELP CCn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000121198258 408160051 /nfs/dbraw/zinc/16/00/51/408160051.db2.gz VTZYUWKJNKXWJP-UHFFFAOYSA-N 2 2 316.453 1.696 10 0 DDAELP CCn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000121198258 408160058 /nfs/dbraw/zinc/16/00/58/408160058.db2.gz VTZYUWKJNKXWJP-UHFFFAOYSA-N 2 2 316.453 1.696 10 0 DDAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000151338929 408296361 /nfs/dbraw/zinc/29/63/61/408296361.db2.gz ALWZXDQJYBFFLJ-HIFRSBDPSA-N 2 2 306.406 1.913 10 0 DDAELP Cn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000171590197 162227587 /nfs/dbraw/zinc/22/75/87/162227587.db2.gz GTPJUIMASNJBRH-UHFFFAOYSA-N 2 2 302.426 1.213 10 0 DDAELP Cn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000171590197 162227588 /nfs/dbraw/zinc/22/75/88/162227588.db2.gz GTPJUIMASNJBRH-UHFFFAOYSA-N 2 2 302.426 1.213 10 0 DDAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000248327419 408548626 /nfs/dbraw/zinc/54/86/26/408548626.db2.gz CKBAEKIJIOWWEG-HOCLYGCPSA-N 2 2 309.454 1.088 10 0 DDAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000248327419 408548630 /nfs/dbraw/zinc/54/86/30/408548630.db2.gz CKBAEKIJIOWWEG-HOCLYGCPSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000248327419 408548632 /nfs/dbraw/zinc/54/86/32/408548632.db2.gz CKBAEKIJIOWWEG-HOCLYGCPSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000248327419 408548634 /nfs/dbraw/zinc/54/86/34/408548634.db2.gz CKBAEKIJIOWWEG-HOCLYGCPSA-N 2 2 309.454 1.088 10 0 DDAELP CCC[C@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000338212893 409804868 /nfs/dbraw/zinc/80/48/68/409804868.db2.gz COHRCQYKKYJHKU-KBPBESRZSA-N 3 2 319.453 1.018 10 0 DDAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246888852 298076586 /nfs/dbraw/zinc/07/65/86/298076586.db2.gz HBTJZQIBASWREW-QKPAOTATSA-N 2 2 309.454 1.181 10 0 DDAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246888852 298076590 /nfs/dbraw/zinc/07/65/90/298076590.db2.gz HBTJZQIBASWREW-QKPAOTATSA-N 2 2 309.454 1.181 10 0 DDAELP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173981964 298094753 /nfs/dbraw/zinc/09/47/53/298094753.db2.gz GKMWVRUCXGKPDK-ZACQAIPSSA-N 2 2 323.481 1.430 10 0 DDAELP COC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154617701 522548019 /nfs/dbraw/zinc/54/80/19/522548019.db2.gz IDQLUOKJXVCKRY-LSVZVQIISA-N 2 2 309.454 1.038 10 0 DDAELP COC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154617701 522548027 /nfs/dbraw/zinc/54/80/27/522548027.db2.gz IDQLUOKJXVCKRY-LSVZVQIISA-N 2 2 309.454 1.038 10 0 DDAELP C[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000163351372 524633199 /nfs/dbraw/zinc/63/31/99/524633199.db2.gz STLGPSFCXGADAH-UONOGXRCSA-N 2 2 311.451 1.496 10 0 DDAELP C[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000163351372 524633202 /nfs/dbraw/zinc/63/32/02/524633202.db2.gz STLGPSFCXGADAH-UONOGXRCSA-N 2 2 311.451 1.496 10 0 DDAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000262489788 698471688 /nfs/dbraw/zinc/47/16/88/698471688.db2.gz KVVOUSJXBUAKGT-HNNXBMFYSA-N 2 2 307.413 1.824 10 0 DDAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000262489788 698471690 /nfs/dbraw/zinc/47/16/90/698471690.db2.gz KVVOUSJXBUAKGT-HNNXBMFYSA-N 2 2 307.413 1.824 10 0 DDAELP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)o1 ZINC000088539142 185255408 /nfs/dbraw/zinc/25/54/08/185255408.db2.gz RDJLYOCGMGMHMM-NEPJUHHUSA-N 2 2 310.379 1.007 10 0 DDAELP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000685943043 539567596 /nfs/dbraw/zinc/56/75/96/539567596.db2.gz QPUVRPZHIMMMDE-HIFRSBDPSA-N 2 2 313.405 1.772 10 0 DDAELP [NH3+]C[C@@H]1c2ccc3ccccc3c2CN1CC[NH+]1CCOCC1 ZINC000071683641 191006942 /nfs/dbraw/zinc/00/69/42/191006942.db2.gz GPCUWPQSFWJWPG-LJQANCHMSA-N 2 2 311.429 1.987 10 0 DDAELP CC[C@H](CC[NH3+])[NH+]1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185645 192010426 /nfs/dbraw/zinc/01/04/26/192010426.db2.gz FDOVTFJIEXVGQP-CYBMUJFWSA-N 2 2 305.488 1.107 10 0 DDAELP CCC[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](C)C ZINC000179458855 199039632 /nfs/dbraw/zinc/03/96/32/199039632.db2.gz SGQAGQBGTKBFIA-OAHLLOKOSA-N 2 2 320.437 1.265 10 0 DDAELP CNC(=O)C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000091315136 193038182 /nfs/dbraw/zinc/03/81/82/193038182.db2.gz PAVQXDVBTIREMF-GFCCVEGCSA-N 2 2 314.227 1.344 10 0 DDAELP CNC(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000091315136 193038185 /nfs/dbraw/zinc/03/81/85/193038185.db2.gz PAVQXDVBTIREMF-GFCCVEGCSA-N 2 2 314.227 1.344 10 0 DDAELP O=C([C@H]1CCC[N@H+]1Cc1cnc(Cl)s1)N1CC[NH2+]CC1 ZINC000094195215 193348643 /nfs/dbraw/zinc/34/86/43/193348643.db2.gz WIAVMGRVFIVTEM-LLVKDONJSA-N 2 2 314.842 1.193 10 0 DDAELP O=C([C@H]1CCC[N@@H+]1Cc1cnc(Cl)s1)N1CC[NH2+]CC1 ZINC000094195215 193348645 /nfs/dbraw/zinc/34/86/45/193348645.db2.gz WIAVMGRVFIVTEM-LLVKDONJSA-N 2 2 314.842 1.193 10 0 DDAELP C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509111 193375586 /nfs/dbraw/zinc/37/55/86/193375586.db2.gz BDDSVSBPWAWIJH-UONOGXRCSA-N 2 2 302.447 1.427 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508544 193376059 /nfs/dbraw/zinc/37/60/59/193376059.db2.gz KATIKNMQBCQKEE-KBPBESRZSA-N 2 2 300.233 1.863 10 0 DDAELP CCCn1cc[nH+]c1C[C@@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]CC ZINC000097311393 193706836 /nfs/dbraw/zinc/70/68/36/193706836.db2.gz YFRGMDKKDUXIIO-UONOGXRCSA-N 2 2 313.467 1.639 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969501 183390939 /nfs/dbraw/zinc/39/09/39/183390939.db2.gz XCLIQGPSKLZEEN-KKUMJFAQSA-N 2 2 300.443 1.617 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969501 183390942 /nfs/dbraw/zinc/39/09/42/183390942.db2.gz XCLIQGPSKLZEEN-KKUMJFAQSA-N 2 2 300.443 1.617 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)CCOC)OCCO2 ZINC000043968792 183391116 /nfs/dbraw/zinc/39/11/16/183391116.db2.gz ISYSBSMUXIZMFT-GJZGRUSLSA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)CCOC)OCCO2 ZINC000043968792 183391118 /nfs/dbraw/zinc/39/11/18/183391118.db2.gz ISYSBSMUXIZMFT-GJZGRUSLSA-N 2 2 300.443 1.619 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C/C=C/Cl)CC2)C1 ZINC000105915330 194167951 /nfs/dbraw/zinc/16/79/51/194167951.db2.gz XQKWRYSPJQFGMK-BWPKMQGJSA-N 2 2 301.862 1.466 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C/C=C/Cl)CC2)C1 ZINC000105915330 194167954 /nfs/dbraw/zinc/16/79/54/194167954.db2.gz XQKWRYSPJQFGMK-BWPKMQGJSA-N 2 2 301.862 1.466 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000261678731 407578585 /nfs/dbraw/zinc/57/85/85/407578585.db2.gz IFDHSCKZSLFTKH-CABCVRRESA-N 2 2 314.389 1.596 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000261678731 407578592 /nfs/dbraw/zinc/57/85/92/407578592.db2.gz IFDHSCKZSLFTKH-CABCVRRESA-N 2 2 314.389 1.596 10 0 DDAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170859210 407530445 /nfs/dbraw/zinc/53/04/45/407530445.db2.gz MSDXLUZHYWOIHN-ZDUSSCGKSA-N 2 2 300.406 1.761 10 0 DDAELP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000262048383 407723561 /nfs/dbraw/zinc/72/35/61/407723561.db2.gz QALPLVOWPCUECD-GWCFXTLKSA-N 2 2 300.362 1.584 10 0 DDAELP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000262048383 407723566 /nfs/dbraw/zinc/72/35/66/407723566.db2.gz QALPLVOWPCUECD-GWCFXTLKSA-N 2 2 300.362 1.584 10 0 DDAELP Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000119343456 408046152 /nfs/dbraw/zinc/04/61/52/408046152.db2.gz NQSXOYOIGZLPAS-DOMZBBRYSA-N 2 2 304.394 1.574 10 0 DDAELP Cc1ccc(N2CCC(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)[nH+]c1 ZINC000263253670 408076333 /nfs/dbraw/zinc/07/63/33/408076333.db2.gz QFLLFFYRCLBVFK-CYBMUJFWSA-N 2 2 324.375 1.472 10 0 DDAELP Cc1nn(C)cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121191674 408161508 /nfs/dbraw/zinc/16/15/08/408161508.db2.gz KYHWOLOTPRWUDA-UHFFFAOYSA-N 2 2 316.453 1.521 10 0 DDAELP Cc1nn(C)cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121191674 408161512 /nfs/dbraw/zinc/16/15/12/408161512.db2.gz KYHWOLOTPRWUDA-UHFFFAOYSA-N 2 2 316.453 1.521 10 0 DDAELP COCc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000182498062 408178158 /nfs/dbraw/zinc/17/81/58/408178158.db2.gz VHIKVUAHDXGINQ-CYBMUJFWSA-N 2 2 317.393 1.853 10 0 DDAELP COCc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000182498062 408178164 /nfs/dbraw/zinc/17/81/64/408178164.db2.gz VHIKVUAHDXGINQ-CYBMUJFWSA-N 2 2 317.393 1.853 10 0 DDAELP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000173978509 278196943 /nfs/dbraw/zinc/19/69/43/278196943.db2.gz HBTJZQIBASWREW-FZKCQIBNSA-N 2 2 309.454 1.181 10 0 DDAELP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000173978509 278196944 /nfs/dbraw/zinc/19/69/44/278196944.db2.gz HBTJZQIBASWREW-FZKCQIBNSA-N 2 2 309.454 1.181 10 0 DDAELP COc1ccc(Br)cc1[C@@H](C[NH3+])[NH2+]CCCO ZINC000087929825 185237552 /nfs/dbraw/zinc/23/75/52/185237552.db2.gz FPSHTBJCTKQCPB-LLVKDONJSA-N 2 2 303.200 1.430 10 0 DDAELP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278471 201373339 /nfs/dbraw/zinc/37/33/39/201373339.db2.gz YZWUJWMRSCEBSB-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278471 201373341 /nfs/dbraw/zinc/37/33/41/201373341.db2.gz YZWUJWMRSCEBSB-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@H](C)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278471 201373344 /nfs/dbraw/zinc/37/33/44/201373344.db2.gz YZWUJWMRSCEBSB-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@H](C)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278471 201373348 /nfs/dbraw/zinc/37/33/48/201373348.db2.gz YZWUJWMRSCEBSB-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510293 193375680 /nfs/dbraw/zinc/37/56/80/193375680.db2.gz DSTZGMSNUGLSLR-CVEARBPZSA-N 2 2 311.832 2.000 10 0 DDAELP O=C1C(C[NH2+]CCCn2cc[nH+]c2)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287535 183016566 /nfs/dbraw/zinc/01/65/66/183016566.db2.gz JLBPPPPDSRKOMD-RHSMWYFYSA-N 2 2 310.401 1.516 10 0 DDAELP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3[nH+]ccn3c2)[N@H+](C)C1 ZINC000284602851 218097093 /nfs/dbraw/zinc/09/70/93/218097093.db2.gz ANAFXYYDYIAMQP-KBPBESRZSA-N 2 2 302.378 1.125 10 0 DDAELP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc3[nH+]ccn3c2)[N@@H+](C)C1 ZINC000284602851 218097094 /nfs/dbraw/zinc/09/70/94/218097094.db2.gz ANAFXYYDYIAMQP-KBPBESRZSA-N 2 2 302.378 1.125 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000105897276 194161968 /nfs/dbraw/zinc/16/19/68/194161968.db2.gz RDNVBMKDFMZFEM-LSDHHAIUSA-N 2 2 322.453 1.624 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000105897276 194161969 /nfs/dbraw/zinc/16/19/69/194161969.db2.gz RDNVBMKDFMZFEM-LSDHHAIUSA-N 2 2 322.453 1.624 10 0 DDAELP Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000066142903 184392851 /nfs/dbraw/zinc/39/28/51/184392851.db2.gz UVOWBJGJLBTNLS-OAHLLOKOSA-N 2 2 305.422 1.255 10 0 DDAELP COc1c(C)c[nH+]c(CN(C)c2cc(CC[NH3+])ncn2)c1C ZINC000067871312 407288258 /nfs/dbraw/zinc/28/82/58/407288258.db2.gz AHJABPMUDZQMCP-UHFFFAOYSA-N 2 2 301.394 1.635 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000114455672 407574808 /nfs/dbraw/zinc/57/48/08/407574808.db2.gz SAOZLIABDJAFEK-IRXDYDNUSA-N 2 2 323.481 1.619 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000114455672 407574813 /nfs/dbraw/zinc/57/48/13/407574813.db2.gz SAOZLIABDJAFEK-IRXDYDNUSA-N 2 2 323.481 1.619 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@]3(C)CC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261953988 407687439 /nfs/dbraw/zinc/68/74/39/407687439.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@]3(C)CC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261953988 407687447 /nfs/dbraw/zinc/68/74/47/407687447.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@]3(C)CC[NH2+]C3)CCC[N@@H+]2C)cn1 ZINC000261953988 407687449 /nfs/dbraw/zinc/68/74/49/407687449.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@]3(C)CC[NH2+]C3)CCC[N@H+]2C)cn1 ZINC000261953988 407687455 /nfs/dbraw/zinc/68/74/55/407687455.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 3 2 319.497 1.734 10 0 DDAELP CCOc1cc(C)nc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262020792 407713435 /nfs/dbraw/zinc/71/34/35/407713435.db2.gz NEVGKYLCHFNCGU-QGZVFWFLSA-N 2 2 319.453 1.305 10 0 DDAELP Cc1nc([C@@H]2CCC[N@H+](Cc3noc(C[NH3+])n3)C2)sc1C ZINC000262181538 407760047 /nfs/dbraw/zinc/76/00/47/407760047.db2.gz IVAWDNDKPPWYKE-LLVKDONJSA-N 2 2 307.423 1.981 10 0 DDAELP Cc1nc([C@@H]2CCC[N@@H+](Cc3noc(C[NH3+])n3)C2)sc1C ZINC000262181538 407760054 /nfs/dbraw/zinc/76/00/54/407760054.db2.gz IVAWDNDKPPWYKE-LLVKDONJSA-N 2 2 307.423 1.981 10 0 DDAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263097194 408024673 /nfs/dbraw/zinc/02/46/73/408024673.db2.gz YYXWEKVNRKUHTE-YUELXQCFSA-N 2 2 323.387 1.935 10 0 DDAELP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)[nH+]c1 ZINC000263253672 408075424 /nfs/dbraw/zinc/07/54/24/408075424.db2.gz QFLLFFYRCLBVFK-ZDUSSCGKSA-N 2 2 324.375 1.472 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000119521277 408087027 /nfs/dbraw/zinc/08/70/27/408087027.db2.gz LAGQZSMICTXRTP-MRXNPFEDSA-N 2 2 311.470 1.288 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000119521277 408087031 /nfs/dbraw/zinc/08/70/31/408087031.db2.gz LAGQZSMICTXRTP-MRXNPFEDSA-N 2 2 311.470 1.288 10 0 DDAELP CCCOc1c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cccc1OCC ZINC000263295407 408093034 /nfs/dbraw/zinc/09/30/34/408093034.db2.gz WEIGOVLXOASFNX-GJZGRUSLSA-N 2 2 308.422 1.544 10 0 DDAELP CCOCC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000246018099 408123577 /nfs/dbraw/zinc/12/35/77/408123577.db2.gz LDLWZLXDNLJAOF-IAGOWNOFSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000246018099 408123582 /nfs/dbraw/zinc/12/35/82/408123582.db2.gz LDLWZLXDNLJAOF-IAGOWNOFSA-N 2 2 313.486 1.140 10 0 DDAELP C[C@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190783635 408318500 /nfs/dbraw/zinc/31/85/00/408318500.db2.gz NGNFKQUWELXLCG-RHSMWYFYSA-N 2 2 323.481 1.476 10 0 DDAELP CCn1cc[nH+]c1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171590304 162228611 /nfs/dbraw/zinc/22/86/11/162228611.db2.gz REZAHWBVHDNACC-UHFFFAOYSA-N 2 2 316.453 1.696 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162995240 408751055 /nfs/dbraw/zinc/75/10/55/408751055.db2.gz SZVHRQBOUNAXNL-GJZGRUSLSA-N 2 2 321.469 1.795 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000162995240 408751059 /nfs/dbraw/zinc/75/10/59/408751059.db2.gz SZVHRQBOUNAXNL-GJZGRUSLSA-N 2 2 321.469 1.795 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516118 163327209 /nfs/dbraw/zinc/32/72/09/163327209.db2.gz KZHVCVBPTHNTRN-HNNXBMFYSA-N 2 2 304.438 1.896 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516118 163327210 /nfs/dbraw/zinc/32/72/10/163327210.db2.gz KZHVCVBPTHNTRN-HNNXBMFYSA-N 2 2 304.438 1.896 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261936326 163732291 /nfs/dbraw/zinc/73/22/91/163732291.db2.gz DGCTZHZDIGMBDS-BBRMVZONSA-N 2 2 307.442 1.310 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903668 423107941 /nfs/dbraw/zinc/10/79/41/423107941.db2.gz OAVNPQNCMDSJTR-LSDHHAIUSA-N 2 2 302.484 1.664 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903668 423107945 /nfs/dbraw/zinc/10/79/45/423107945.db2.gz OAVNPQNCMDSJTR-LSDHHAIUSA-N 2 2 302.484 1.664 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C2 ZINC000261830655 278074026 /nfs/dbraw/zinc/07/40/26/278074026.db2.gz UCLUQVMAKJLRNM-QWHCGFSZSA-N 2 2 304.438 1.946 10 0 DDAELP CC[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000087532919 185227643 /nfs/dbraw/zinc/22/76/43/185227643.db2.gz RZYYDTAPTPXVKU-STQMWFEESA-N 2 2 311.451 1.223 10 0 DDAELP CCc1cc(N(C)CC2CC[NH+](CC(=O)NC)CC2)nc(C)[nH+]1 ZINC000302028159 529528347 /nfs/dbraw/zinc/52/83/47/529528347.db2.gz ATUYJUJCSFIDOH-UHFFFAOYSA-N 2 2 319.453 1.242 10 0 DDAELP CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655225 199191460 /nfs/dbraw/zinc/19/14/60/199191460.db2.gz SZKIHVOEQSHEEY-LBPRGKRZSA-N 2 2 315.377 1.369 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000195292078 201373935 /nfs/dbraw/zinc/37/39/35/201373935.db2.gz YVIPGSHNLLGXHF-QGZVFWFLSA-N 2 2 316.449 1.458 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000195292078 201373938 /nfs/dbraw/zinc/37/39/38/201373938.db2.gz YVIPGSHNLLGXHF-QGZVFWFLSA-N 2 2 316.449 1.458 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000195292078 201373940 /nfs/dbraw/zinc/37/39/40/201373940.db2.gz YVIPGSHNLLGXHF-QGZVFWFLSA-N 2 2 316.449 1.458 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000195292078 201373943 /nfs/dbraw/zinc/37/39/43/201373943.db2.gz YVIPGSHNLLGXHF-QGZVFWFLSA-N 2 2 316.449 1.458 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093914020 193328407 /nfs/dbraw/zinc/32/84/07/193328407.db2.gz LWPKPQGSHBZXIC-BXUZGUMPSA-N 2 2 314.861 1.709 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093914020 193328408 /nfs/dbraw/zinc/32/84/08/193328408.db2.gz LWPKPQGSHBZXIC-BXUZGUMPSA-N 2 2 314.861 1.709 10 0 DDAELP Cc1cc(Br)cnc1N1CC[NH+](CCC[NH3+])CC1 ZINC000094050181 193341567 /nfs/dbraw/zinc/34/15/67/193341567.db2.gz OOIREWDYDOKSRV-UHFFFAOYSA-N 2 2 313.243 1.623 10 0 DDAELP C[NH2+][C@@H](Cc1ccccc1Br)[C@H]1C[NH+]2CCN1CC2 ZINC000094509407 193375893 /nfs/dbraw/zinc/37/58/93/193375893.db2.gz DCOKEKGVJNEKNJ-LSDHHAIUSA-N 2 2 324.266 1.579 10 0 DDAELP O=C(C[NH2+]CCn1cc[nH+]c1)Nc1ccccc1Br ZINC000042268605 183249033 /nfs/dbraw/zinc/24/90/33/183249033.db2.gz PERQFSIWXVXWOV-UHFFFAOYSA-N 2 2 323.194 1.874 10 0 DDAELP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCN(CC(F)(F)F)CC2)O1 ZINC000061948317 184198054 /nfs/dbraw/zinc/19/80/54/184198054.db2.gz BYIKAMCXGZVXAT-STQMWFEESA-N 2 2 309.376 1.323 10 0 DDAELP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3cccc(OC)c3)C[C@H]2C1 ZINC000247900980 257115387 /nfs/dbraw/zinc/11/53/87/257115387.db2.gz QNGVPFVAXNHWKB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP COCC[N@H+]1CCO[C@H]2C[NH+](Cc3cccc(OC)c3)C[C@H]2C1 ZINC000247900980 257115388 /nfs/dbraw/zinc/11/53/88/257115388.db2.gz QNGVPFVAXNHWKB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2C1 ZINC000247900980 257115389 /nfs/dbraw/zinc/11/53/89/257115389.db2.gz QNGVPFVAXNHWKB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2C1 ZINC000247900980 257115390 /nfs/dbraw/zinc/11/53/90/257115390.db2.gz QNGVPFVAXNHWKB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP CC(C)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106904946 407365645 /nfs/dbraw/zinc/36/56/45/407365645.db2.gz DADQLNNKKUKYNX-KRWDZBQOSA-N 2 2 303.450 1.712 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000105897940 407357295 /nfs/dbraw/zinc/35/72/95/407357295.db2.gz HNNIRPALMNWZPW-OAHLLOKOSA-N 2 2 320.437 1.378 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000105897940 407357296 /nfs/dbraw/zinc/35/72/96/407357296.db2.gz HNNIRPALMNWZPW-OAHLLOKOSA-N 2 2 320.437 1.378 10 0 DDAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cn2c1 ZINC000262029040 407718425 /nfs/dbraw/zinc/71/84/25/407718425.db2.gz XHQQSONWLNGIEG-GVDBMIGSSA-N 2 2 314.433 1.889 10 0 DDAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000262364037 407811381 /nfs/dbraw/zinc/81/13/81/407811381.db2.gz VWSSRJAIAWAYCK-SWLSCSKDSA-N 2 2 309.385 1.005 10 0 DDAELP Cc1ncc(C[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)s1 ZINC000173672899 407895667 /nfs/dbraw/zinc/89/56/67/407895667.db2.gz FOJMCGKMJHJKNP-UHFFFAOYSA-N 2 2 324.494 1.291 10 0 DDAELP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263108980 408027159 /nfs/dbraw/zinc/02/71/59/408027159.db2.gz ACZMTSTVDZSKGI-CYBMUJFWSA-N 2 2 301.381 1.507 10 0 DDAELP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263275912 408087385 /nfs/dbraw/zinc/08/73/85/408087385.db2.gz SUNWCTVYKOYIEJ-RUXDESIVSA-N 2 2 315.408 1.707 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263278519 408088144 /nfs/dbraw/zinc/08/81/44/408088144.db2.gz TVUVQDWFZCCRCH-MAUKXSAKSA-N 3 2 321.440 1.003 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246378090 408236446 /nfs/dbraw/zinc/23/64/46/408236446.db2.gz SLQOYXNGQUKROZ-ROUUACIJSA-N 2 2 315.461 1.856 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246378090 408236452 /nfs/dbraw/zinc/23/64/52/408236452.db2.gz SLQOYXNGQUKROZ-ROUUACIJSA-N 2 2 315.461 1.856 10 0 DDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCOCC1 ZINC000171138929 162206642 /nfs/dbraw/zinc/20/66/42/162206642.db2.gz GEJOHFLJRNEBCU-CQSZACIVSA-N 2 2 318.421 1.111 10 0 DDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCOCC1 ZINC000171138929 162206645 /nfs/dbraw/zinc/20/66/45/162206645.db2.gz GEJOHFLJRNEBCU-CQSZACIVSA-N 2 2 318.421 1.111 10 0 DDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000184183374 408566810 /nfs/dbraw/zinc/56/68/10/408566810.db2.gz LHXDJBJAVAHRJS-LSDHHAIUSA-N 2 2 323.437 1.499 10 0 DDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000184183374 408566813 /nfs/dbraw/zinc/56/68/13/408566813.db2.gz LHXDJBJAVAHRJS-LSDHHAIUSA-N 2 2 323.437 1.499 10 0 DDAELP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000193323778 418530613 /nfs/dbraw/zinc/53/06/13/418530613.db2.gz MUGICBGFWVJSHJ-AWEZNQCLSA-N 2 2 321.469 1.410 10 0 DDAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000312008713 418591817 /nfs/dbraw/zinc/59/18/17/418591817.db2.gz IIMPYBXROSBYMN-IRXDYDNUSA-N 2 2 319.449 1.377 10 0 DDAELP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000312008713 418591821 /nfs/dbraw/zinc/59/18/21/418591821.db2.gz IIMPYBXROSBYMN-IRXDYDNUSA-N 2 2 319.449 1.377 10 0 DDAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380479 422187128 /nfs/dbraw/zinc/18/71/28/422187128.db2.gz RPAIVAINMOOQPX-UONOGXRCSA-N 2 2 305.426 1.181 10 0 DDAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000637380479 422187135 /nfs/dbraw/zinc/18/71/35/422187135.db2.gz RPAIVAINMOOQPX-UONOGXRCSA-N 2 2 305.426 1.181 10 0 DDAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000392971295 307294785 /nfs/dbraw/zinc/29/47/85/307294785.db2.gz MSNRGCIPVHKIBV-USXIJHARSA-N 2 2 301.434 1.908 10 0 DDAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000392971295 307294786 /nfs/dbraw/zinc/29/47/86/307294786.db2.gz MSNRGCIPVHKIBV-USXIJHARSA-N 2 2 301.434 1.908 10 0 DDAELP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262366993 484269990 /nfs/dbraw/zinc/26/99/90/484269990.db2.gz VUALHQVLLFQQMW-BBRMVZONSA-N 2 2 313.357 1.184 10 0 DDAELP Cn1nccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041419 708687132 /nfs/dbraw/zinc/68/71/32/708687132.db2.gz SFONRIJXYPRZER-KRWDZBQOSA-N 2 2 315.421 1.530 10 0 DDAELP Cn1nccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041419 708687135 /nfs/dbraw/zinc/68/71/35/708687135.db2.gz SFONRIJXYPRZER-KRWDZBQOSA-N 2 2 315.421 1.530 10 0 DDAELP C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306644 185290181 /nfs/dbraw/zinc/29/01/81/185290181.db2.gz BRSBAXZNUVPMJS-LBPRGKRZSA-N 2 2 302.447 1.947 10 0 DDAELP C[C@]1(C[NH+]2CCN(c3ccccc3Cl)CC2)COC[C@H]1[NH3+] ZINC000090606502 185306526 /nfs/dbraw/zinc/30/65/26/185306526.db2.gz YIGYIJOAGXJNKY-CVEARBPZSA-N 2 2 309.841 1.826 10 0 DDAELP O[C@@H](C[NH2+]CC[NH2+]Cc1ccccc1)COc1ccccc1 ZINC000146209484 354159792 /nfs/dbraw/zinc/15/97/92/354159792.db2.gz UPMONSURRUVNLD-KRWDZBQOSA-N 2 2 300.402 1.806 10 0 DDAELP C[C@@H]([NH3+])Cc1cc(F)c(OC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000094350142 193363276 /nfs/dbraw/zinc/36/32/76/193363276.db2.gz WWLQTYVZTLKPOX-ZYHUDNBSSA-N 2 2 300.349 1.564 10 0 DDAELP C[C@@H]([NH3+])Cc1cc(F)c(OC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000094350142 193363277 /nfs/dbraw/zinc/36/32/77/193363277.db2.gz WWLQTYVZTLKPOX-ZYHUDNBSSA-N 2 2 300.349 1.564 10 0 DDAELP CCCN(CC[C@H]([NH2+]C(C)C)C(=O)OCC)CC[NH+](C)C ZINC000062527908 184241569 /nfs/dbraw/zinc/24/15/69/184241569.db2.gz JSGWEGUQWOTJTB-HNNXBMFYSA-N 2 2 301.475 1.580 10 0 DDAELP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977921 184264556 /nfs/dbraw/zinc/26/45/56/184264556.db2.gz HNEOZTOFCLVNCX-QLFBSQMISA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977921 184264557 /nfs/dbraw/zinc/26/45/57/184264557.db2.gz HNEOZTOFCLVNCX-QLFBSQMISA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977921 184264559 /nfs/dbraw/zinc/26/45/59/184264559.db2.gz HNEOZTOFCLVNCX-QLFBSQMISA-N 2 2 309.479 1.851 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000122533505 407304205 /nfs/dbraw/zinc/30/42/05/407304205.db2.gz ARLPKDANVVPZCL-INIZCTEOSA-N 2 2 323.506 1.975 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000122533505 407304207 /nfs/dbraw/zinc/30/42/07/407304207.db2.gz ARLPKDANVVPZCL-INIZCTEOSA-N 2 2 323.506 1.975 10 0 DDAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000261749182 407601270 /nfs/dbraw/zinc/60/12/70/407601270.db2.gz QAAGBTDQRJVSNZ-MGPQQGTHSA-N 2 2 323.462 1.093 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000261896687 407660633 /nfs/dbraw/zinc/66/06/33/407660633.db2.gz HDYRHQHBHIDXLV-OAGGEKHMSA-N 2 2 304.438 1.466 10 0 DDAELP c1c(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000261896687 407660638 /nfs/dbraw/zinc/66/06/38/407660638.db2.gz HDYRHQHBHIDXLV-OAGGEKHMSA-N 2 2 304.438 1.466 10 0 DDAELP COC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000262339813 407802342 /nfs/dbraw/zinc/80/23/42/407802342.db2.gz SQVLBFWEZKNDHY-CQSZACIVSA-N 2 2 306.410 1.052 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262554196 407866336 /nfs/dbraw/zinc/86/63/36/407866336.db2.gz SZIXFPSJCMGBGM-DCAQKATOSA-N 2 2 323.418 1.142 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262554196 407866343 /nfs/dbraw/zinc/86/63/43/407866343.db2.gz SZIXFPSJCMGBGM-DCAQKATOSA-N 2 2 323.418 1.142 10 0 DDAELP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000262661298 407895632 /nfs/dbraw/zinc/89/56/32/407895632.db2.gz NSVHMZAGCBUFQT-IRXDYDNUSA-N 2 2 319.449 1.564 10 0 DDAELP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC[N@H+]1CCOC ZINC000262661298 407895642 /nfs/dbraw/zinc/89/56/42/407895642.db2.gz NSVHMZAGCBUFQT-IRXDYDNUSA-N 2 2 319.449 1.564 10 0 DDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000246309502 408215561 /nfs/dbraw/zinc/21/55/61/408215561.db2.gz DBNNKNLCQXUOTP-DZGCQCFKSA-N 2 2 315.421 1.862 10 0 DDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000246309502 408215567 /nfs/dbraw/zinc/21/55/67/408215567.db2.gz DBNNKNLCQXUOTP-DZGCQCFKSA-N 2 2 315.421 1.862 10 0 DDAELP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000183050764 408314909 /nfs/dbraw/zinc/31/49/09/408314909.db2.gz GYLHJHKUKKXRMK-STQMWFEESA-N 2 2 307.419 1.956 10 0 DDAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000151338868 408296664 /nfs/dbraw/zinc/29/66/64/408296664.db2.gz ALWZXDQJYBFFLJ-ZFWWWQNUSA-N 2 2 306.406 1.913 10 0 DDAELP COC[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751252 162299636 /nfs/dbraw/zinc/29/96/36/162299636.db2.gz OXNDRCFTZQTYJC-OAHLLOKOSA-N 2 2 311.470 1.335 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000247060738 408400583 /nfs/dbraw/zinc/40/05/83/408400583.db2.gz PCXAGGXTSUDRPD-GJZGRUSLSA-N 2 2 305.422 1.969 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000247060738 408400587 /nfs/dbraw/zinc/40/05/87/408400587.db2.gz PCXAGGXTSUDRPD-GJZGRUSLSA-N 2 2 305.422 1.969 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247271220 408440751 /nfs/dbraw/zinc/44/07/51/408440751.db2.gz JXNNROGYCROKSR-ILXRZTDVSA-N 2 2 319.453 1.578 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247271220 408440758 /nfs/dbraw/zinc/44/07/58/408440758.db2.gz JXNNROGYCROKSR-ILXRZTDVSA-N 2 2 319.453 1.578 10 0 DDAELP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000643772658 423333678 /nfs/dbraw/zinc/33/36/78/423333678.db2.gz MLHQZCRAHXFZGP-OLZOCXBDSA-N 2 2 304.398 1.171 10 0 DDAELP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000054307737 483938360 /nfs/dbraw/zinc/93/83/60/483938360.db2.gz LIRUVDLHVJNFGI-AWEZNQCLSA-N 2 2 307.463 1.782 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000663372724 484835199 /nfs/dbraw/zinc/83/51/99/484835199.db2.gz PIFCAOYSULYGDS-QZTJIDSGSA-N 2 2 319.493 1.799 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000663372724 484835203 /nfs/dbraw/zinc/83/52/03/484835203.db2.gz PIFCAOYSULYGDS-QZTJIDSGSA-N 2 2 319.493 1.799 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000663372760 484835336 /nfs/dbraw/zinc/83/53/36/484835336.db2.gz QGVKNHRUWKCZRG-IPMKNSEASA-N 2 2 317.477 1.696 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000663372760 484835339 /nfs/dbraw/zinc/83/53/39/484835339.db2.gz QGVKNHRUWKCZRG-IPMKNSEASA-N 2 2 317.477 1.696 10 0 DDAELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246223264 698345795 /nfs/dbraw/zinc/34/57/95/698345795.db2.gz DFFWMXQGXRVRIS-KLHDSHLOSA-N 2 2 317.433 1.311 10 0 DDAELP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246223264 698345799 /nfs/dbraw/zinc/34/57/99/698345799.db2.gz DFFWMXQGXRVRIS-KLHDSHLOSA-N 2 2 317.433 1.311 10 0 DDAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246223264 698345803 /nfs/dbraw/zinc/34/58/03/698345803.db2.gz DFFWMXQGXRVRIS-KLHDSHLOSA-N 2 2 317.433 1.311 10 0 DDAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000246223264 698345806 /nfs/dbraw/zinc/34/58/06/698345806.db2.gz DFFWMXQGXRVRIS-KLHDSHLOSA-N 2 2 317.433 1.311 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2c[nH]nc2C)nc[nH+]1 ZINC000180851167 539236495 /nfs/dbraw/zinc/23/64/95/539236495.db2.gz KHDYECLBVCFJRQ-YPMHNXCESA-N 2 2 315.425 1.869 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000090326705 185291344 /nfs/dbraw/zinc/29/13/44/185291344.db2.gz USKKYUTZVVOCGS-MRVWCRGKSA-N 2 2 305.447 1.173 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000090326705 185291345 /nfs/dbraw/zinc/29/13/45/185291345.db2.gz USKKYUTZVVOCGS-MRVWCRGKSA-N 2 2 305.447 1.173 10 0 DDAELP CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080627655 192176205 /nfs/dbraw/zinc/17/62/05/192176205.db2.gz KBNDWNFBIPHGOB-ZDUSSCGKSA-N 2 2 308.407 1.559 10 0 DDAELP COCC[NH2+]CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000237225964 202195460 /nfs/dbraw/zinc/19/54/60/202195460.db2.gz CAHGLDWLKLVYII-CYBMUJFWSA-N 2 2 302.378 1.286 10 0 DDAELP CC(C)[N@H+]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)[C@@H](C)C1 ZINC000121056853 248266073 /nfs/dbraw/zinc/26/60/73/248266073.db2.gz OGYCGBJHYFTLBN-GJZGRUSLSA-N 2 2 319.453 1.912 10 0 DDAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)[C@@H](C)C1 ZINC000121056853 248266075 /nfs/dbraw/zinc/26/60/75/248266075.db2.gz OGYCGBJHYFTLBN-GJZGRUSLSA-N 2 2 319.453 1.912 10 0 DDAELP C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)C[NH2+]C1CC1 ZINC000042439960 183270042 /nfs/dbraw/zinc/27/00/42/183270042.db2.gz QEQIITJWXHNMNK-CQSZACIVSA-N 2 2 313.239 1.994 10 0 DDAELP C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)C[NH2+]C1CC1 ZINC000042439960 183270044 /nfs/dbraw/zinc/27/00/44/183270044.db2.gz QEQIITJWXHNMNK-CQSZACIVSA-N 2 2 313.239 1.994 10 0 DDAELP CC[NH+](CC)c1ccc(NS(=O)(=O)N(C)CCC[NH3+])cc1 ZINC000062996382 184264965 /nfs/dbraw/zinc/26/49/65/184264965.db2.gz TZVISFYYCBLHED-UHFFFAOYSA-N 2 2 314.455 1.470 10 0 DDAELP CC(C)Oc1cccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000066143023 184393137 /nfs/dbraw/zinc/39/31/37/184393137.db2.gz CNJJTYJXAHTODO-UHFFFAOYSA-N 2 2 305.422 1.580 10 0 DDAELP CC[N@H+](CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C1CC1 ZINC000152537415 407649060 /nfs/dbraw/zinc/64/90/60/407649060.db2.gz OOILFBCOONFAFN-UHFFFAOYSA-N 2 2 304.438 1.913 10 0 DDAELP CC[N@@H+](CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C1CC1 ZINC000152537415 407649064 /nfs/dbraw/zinc/64/90/64/407649064.db2.gz OOILFBCOONFAFN-UHFFFAOYSA-N 2 2 304.438 1.913 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CC[C@@H]1CC[NH2+]C1)C2 ZINC000261938975 407682797 /nfs/dbraw/zinc/68/27/97/407682797.db2.gz ZVTRISKGKTZWET-CYBMUJFWSA-N 2 2 304.438 1.818 10 0 DDAELP [NH3+][C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000262093875 407737852 /nfs/dbraw/zinc/73/78/52/407737852.db2.gz UPWKBBPMMGTJMG-HNNXBMFYSA-N 2 2 300.362 1.565 10 0 DDAELP CCc1csc([C@H]2CCC[N@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262261224 407779721 /nfs/dbraw/zinc/77/97/21/407779721.db2.gz RFUZZSRLPYCYMM-JTQLQIEISA-N 2 2 307.423 1.927 10 0 DDAELP CCc1csc([C@H]2CCC[N@@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262261224 407779728 /nfs/dbraw/zinc/77/97/28/407779728.db2.gz RFUZZSRLPYCYMM-JTQLQIEISA-N 2 2 307.423 1.927 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180705288 407912841 /nfs/dbraw/zinc/91/28/41/407912841.db2.gz XCESOMZSYVVBJS-GFCCVEGCSA-N 2 2 318.343 1.725 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCNC(=O)C(F)(F)F ZINC000180705288 407912845 /nfs/dbraw/zinc/91/28/45/407912845.db2.gz XCESOMZSYVVBJS-GFCCVEGCSA-N 2 2 318.343 1.725 10 0 DDAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1CC ZINC000180029332 407847310 /nfs/dbraw/zinc/84/73/10/407847310.db2.gz GJTBCZGLJVVXJV-ZDUSSCGKSA-N 2 2 306.410 1.118 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000263311417 408100370 /nfs/dbraw/zinc/10/03/70/408100370.db2.gz YUMULGYRIPVEFK-AWEZNQCLSA-N 2 2 310.361 1.498 10 0 DDAELP C[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190783683 408319235 /nfs/dbraw/zinc/31/92/35/408319235.db2.gz NGNFKQUWELXLCG-YOEHRIQHSA-N 2 2 323.481 1.476 10 0 DDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000133063435 162051440 /nfs/dbraw/zinc/05/14/40/162051440.db2.gz FVHSJMNHIFVBKT-DZGCQCFKSA-N 2 2 300.410 1.797 10 0 DDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000133063435 162051444 /nfs/dbraw/zinc/05/14/44/162051444.db2.gz FVHSJMNHIFVBKT-DZGCQCFKSA-N 2 2 300.410 1.797 10 0 DDAELP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)on1 ZINC000171574984 162226355 /nfs/dbraw/zinc/22/63/55/162226355.db2.gz ASAIBOBGYWQCJM-QGZVFWFLSA-N 2 2 322.453 1.210 10 0 DDAELP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)on1 ZINC000171574984 162226361 /nfs/dbraw/zinc/22/63/61/162226361.db2.gz ASAIBOBGYWQCJM-QGZVFWFLSA-N 2 2 322.453 1.210 10 0 DDAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000312567525 418591259 /nfs/dbraw/zinc/59/12/59/418591259.db2.gz NXIVCSNKUDKWAW-WFASDCNBSA-N 2 2 300.830 1.930 10 0 DDAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000312567525 418591262 /nfs/dbraw/zinc/59/12/62/418591262.db2.gz NXIVCSNKUDKWAW-WFASDCNBSA-N 2 2 300.830 1.930 10 0 DDAELP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000299741818 229376999 /nfs/dbraw/zinc/37/69/99/229376999.db2.gz GINZBCXHPFLVNO-VXGBXAGGSA-N 2 2 316.327 1.445 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698373 424477704 /nfs/dbraw/zinc/47/77/04/424477704.db2.gz WSNMVUCFSWDNBW-HYVNUMGLSA-N 2 2 301.434 1.575 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698373 424477712 /nfs/dbraw/zinc/47/77/12/424477712.db2.gz WSNMVUCFSWDNBW-HYVNUMGLSA-N 2 2 301.434 1.575 10 0 DDAELP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172746580 289346997 /nfs/dbraw/zinc/34/69/97/289346997.db2.gz FPYDLTORXWCFBS-IRXDYDNUSA-N 2 2 317.433 1.222 10 0 DDAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000262374037 698466543 /nfs/dbraw/zinc/46/65/43/698466543.db2.gz XROKOLIJASWZCJ-IPYPFGDCSA-N 2 2 306.406 1.875 10 0 DDAELP C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081902235 192337253 /nfs/dbraw/zinc/33/72/53/192337253.db2.gz IUZUMQQLABEQJM-OLZOCXBDSA-N 2 2 307.419 1.956 10 0 DDAELP C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000072420956 191157300 /nfs/dbraw/zinc/15/73/00/191157300.db2.gz KJSFAJNTGYHOFO-KRWDZBQOSA-N 2 2 300.406 1.371 10 0 DDAELP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000072420956 191157303 /nfs/dbraw/zinc/15/73/03/191157303.db2.gz KJSFAJNTGYHOFO-KRWDZBQOSA-N 2 2 300.406 1.371 10 0 DDAELP C[NH+](C)[C@@H]1CCCN(c2cc(N[C@H]3CCCOC3)[nH+]cn2)C1 ZINC000328621463 354548334 /nfs/dbraw/zinc/54/83/34/354548334.db2.gz AMVDCEHZCDCEIH-UONOGXRCSA-N 2 2 305.426 1.598 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnccn2)nc[nH+]1 ZINC000180573844 199178058 /nfs/dbraw/zinc/17/80/58/199178058.db2.gz YTQJDBCGUXQTHK-CHWSQXEVSA-N 2 2 313.409 1.628 10 0 DDAELP O[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)C[NH+]1CCCCC1 ZINC000194997354 201323591 /nfs/dbraw/zinc/32/35/91/201323591.db2.gz VTJISGDKEYWSBL-HZPDHXFCSA-N 2 2 315.421 1.331 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195299834 201375906 /nfs/dbraw/zinc/37/59/06/201375906.db2.gz UMEGORBKGBFCIQ-IAGOWNOFSA-N 2 2 317.433 1.789 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195299834 201375911 /nfs/dbraw/zinc/37/59/11/201375911.db2.gz UMEGORBKGBFCIQ-IAGOWNOFSA-N 2 2 317.433 1.789 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195299834 201375914 /nfs/dbraw/zinc/37/59/14/201375914.db2.gz UMEGORBKGBFCIQ-IAGOWNOFSA-N 2 2 317.433 1.789 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195299834 201375917 /nfs/dbraw/zinc/37/59/17/201375917.db2.gz UMEGORBKGBFCIQ-IAGOWNOFSA-N 2 2 317.433 1.789 10 0 DDAELP O=C([C@@H]1CCC[N@H+]1Cc1cc(Cl)cs1)N1CC[NH2+]CC1 ZINC000093096133 193203376 /nfs/dbraw/zinc/20/33/76/193203376.db2.gz POORLWVNBBTMIR-ZDUSSCGKSA-N 2 2 313.854 1.798 10 0 DDAELP O=C([C@@H]1CCC[N@@H+]1Cc1cc(Cl)cs1)N1CC[NH2+]CC1 ZINC000093096133 193203378 /nfs/dbraw/zinc/20/33/78/193203378.db2.gz POORLWVNBBTMIR-ZDUSSCGKSA-N 2 2 313.854 1.798 10 0 DDAELP C[C@@H](C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000093696729 193292029 /nfs/dbraw/zinc/29/20/29/193292029.db2.gz HCDZNQBBBLVVKF-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000094638645 193388398 /nfs/dbraw/zinc/38/83/98/193388398.db2.gz IEGJYBWZZHIRDW-LJISPDSOSA-N 2 2 300.468 1.559 10 0 DDAELP CS(=O)(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000094638645 193388399 /nfs/dbraw/zinc/38/83/99/193388399.db2.gz IEGJYBWZZHIRDW-LJISPDSOSA-N 2 2 300.468 1.559 10 0 DDAELP COCC[N@H+]([C@H](C)COC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489404 193373947 /nfs/dbraw/zinc/37/39/47/193373947.db2.gz AAAHYAXVKCUFJW-HIFRSBDPSA-N 2 2 304.500 1.830 10 0 DDAELP COCC[N@@H+]([C@H](C)COC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489404 193373950 /nfs/dbraw/zinc/37/39/50/193373950.db2.gz AAAHYAXVKCUFJW-HIFRSBDPSA-N 2 2 304.500 1.830 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Br)s1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508222 193376260 /nfs/dbraw/zinc/37/62/60/193376260.db2.gz AGDXBVIPILYDNW-WDEREUQCSA-N 2 2 316.268 1.380 10 0 DDAELP COc1ccc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1Br ZINC000020967650 182257014 /nfs/dbraw/zinc/25/70/14/182257014.db2.gz LKSVYICHSSIFQR-SNVBAGLBSA-N 2 2 317.227 1.518 10 0 DDAELP C[NH+](C)C[C@H](O)C[NH2+]Cc1cc(Br)ccc1F ZINC000041069398 183162439 /nfs/dbraw/zinc/16/24/39/183162439.db2.gz WFQLMHJKKCOQGA-LLVKDONJSA-N 2 2 305.191 1.600 10 0 DDAELP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[NH+](CCO)CCO ZINC000042954092 183321495 /nfs/dbraw/zinc/32/14/95/183321495.db2.gz YAPDWFFQGHYVQM-GXFFZTMASA-N 2 2 317.227 1.124 10 0 DDAELP C[NH2+]Cc1cc(Br)cnc1N(C)Cc1[nH+]ccn1C ZINC000062324611 184230454 /nfs/dbraw/zinc/23/04/54/184230454.db2.gz JZBJVJMFTBQLOK-UHFFFAOYSA-N 2 2 324.226 1.933 10 0 DDAELP [NH3+]C[C@H](c1ccc(Cl)s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977901 184264398 /nfs/dbraw/zinc/26/43/98/184264398.db2.gz MYEPGXDKRLNSEH-NWDGAFQWSA-N 2 2 315.870 1.808 10 0 DDAELP C[C@H]([NH3+])CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000261765516 407606354 /nfs/dbraw/zinc/60/63/54/407606354.db2.gz IGRJTDIRAWVTFC-QWHCGFSZSA-N 2 2 311.451 1.317 10 0 DDAELP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCSC1 ZINC000261998423 407707746 /nfs/dbraw/zinc/70/77/46/407707746.db2.gz UGFASBVYTCBRJI-JJXSEGSLSA-N 2 2 313.511 1.170 10 0 DDAELP Cc1cccc(NC[C@@H]2CCN(Cc3noc(C[NH3+])n3)C2)[nH+]1 ZINC000262237027 407773399 /nfs/dbraw/zinc/77/33/99/407773399.db2.gz ORSCPSOOJXLGDB-LBPRGKRZSA-N 2 2 302.382 1.166 10 0 DDAELP C[N@H+](CCO)C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000272264694 407841621 /nfs/dbraw/zinc/84/16/21/407841621.db2.gz VPUSQNXKDPIATF-UHFFFAOYSA-N 2 2 305.426 1.191 10 0 DDAELP C[N@@H+](CCO)C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000272264694 407841625 /nfs/dbraw/zinc/84/16/25/407841625.db2.gz VPUSQNXKDPIATF-UHFFFAOYSA-N 2 2 305.426 1.191 10 0 DDAELP C[N@H+](CCO)C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000272264694 407841631 /nfs/dbraw/zinc/84/16/31/407841631.db2.gz VPUSQNXKDPIATF-UHFFFAOYSA-N 2 2 305.426 1.191 10 0 DDAELP C[N@@H+](CCO)C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000272264694 407841639 /nfs/dbraw/zinc/84/16/39/407841639.db2.gz VPUSQNXKDPIATF-UHFFFAOYSA-N 2 2 305.426 1.191 10 0 DDAELP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262977106 407991986 /nfs/dbraw/zinc/99/19/86/407991986.db2.gz MKAGRFKXCKLBLN-ZIAGYGMSSA-N 2 2 309.360 1.374 10 0 DDAELP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262977106 407991993 /nfs/dbraw/zinc/99/19/93/407991993.db2.gz MKAGRFKXCKLBLN-ZIAGYGMSSA-N 2 2 309.360 1.374 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000263226483 408065772 /nfs/dbraw/zinc/06/57/72/408065772.db2.gz GOXCMQRXIABAMF-PWSUYJOCSA-N 2 2 312.439 1.287 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000263226483 408065777 /nfs/dbraw/zinc/06/57/77/408065777.db2.gz GOXCMQRXIABAMF-PWSUYJOCSA-N 2 2 312.439 1.287 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@@H+]1C[C@H](C)O ZINC000245790473 408067685 /nfs/dbraw/zinc/06/76/85/408067685.db2.gz WBTCOVJQIYXEAB-HOTGVXAUSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@H+]1C[C@H](C)O ZINC000245790473 408067692 /nfs/dbraw/zinc/06/76/92/408067692.db2.gz WBTCOVJQIYXEAB-HOTGVXAUSA-N 2 2 316.449 1.920 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281671 408089989 /nfs/dbraw/zinc/08/99/89/408089989.db2.gz UIUPOIFYTWXXOT-DHVPZBTDSA-N 3 2 315.461 1.352 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281671 408089996 /nfs/dbraw/zinc/08/99/96/408089996.db2.gz UIUPOIFYTWXXOT-DHVPZBTDSA-N 3 2 315.461 1.352 10 0 DDAELP C[N@H+](Cc1cncs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121197479 408161996 /nfs/dbraw/zinc/16/19/96/408161996.db2.gz MKXHZPQCVDJCSO-UHFFFAOYSA-N 2 2 305.451 1.936 10 0 DDAELP C[N@@H+](Cc1cncs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121197479 408162000 /nfs/dbraw/zinc/16/20/00/408162000.db2.gz MKXHZPQCVDJCSO-UHFFFAOYSA-N 2 2 305.451 1.936 10 0 DDAELP C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000183050817 408314068 /nfs/dbraw/zinc/31/40/68/408314068.db2.gz GYLHJHKUKKXRMK-CHWSQXEVSA-N 2 2 307.419 1.956 10 0 DDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000246765884 408336073 /nfs/dbraw/zinc/33/60/73/408336073.db2.gz BZRZGRQSOJKBCZ-DZGCQCFKSA-N 2 2 319.453 1.676 10 0 DDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000246765884 408336076 /nfs/dbraw/zinc/33/60/76/408336076.db2.gz BZRZGRQSOJKBCZ-DZGCQCFKSA-N 2 2 319.453 1.676 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000183175689 408343638 /nfs/dbraw/zinc/34/36/38/408343638.db2.gz HDGMZUKZDJINIH-CQSZACIVSA-N 2 2 318.425 1.597 10 0 DDAELP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248658525 408612125 /nfs/dbraw/zinc/61/21/25/408612125.db2.gz UFQQIVKOMZPXNB-HOTGVXAUSA-N 2 2 307.438 1.993 10 0 DDAELP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248658525 408612129 /nfs/dbraw/zinc/61/21/29/408612129.db2.gz UFQQIVKOMZPXNB-HOTGVXAUSA-N 2 2 307.438 1.993 10 0 DDAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)[C@@H](C)C1 ZINC000177972887 408747760 /nfs/dbraw/zinc/74/77/60/408747760.db2.gz DBNNKNLCQXUOTP-ZFWWWQNUSA-N 2 2 315.421 1.862 10 0 DDAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)[C@@H](C)C1 ZINC000177972887 408747764 /nfs/dbraw/zinc/74/77/64/408747764.db2.gz DBNNKNLCQXUOTP-ZFWWWQNUSA-N 2 2 315.421 1.862 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000195506384 163324748 /nfs/dbraw/zinc/32/47/48/163324748.db2.gz MACJYWCAUVWSPF-AWEZNQCLSA-N 2 2 319.453 1.142 10 0 DDAELP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516019 163326741 /nfs/dbraw/zinc/32/67/41/163326741.db2.gz MADJHDCMYHNXTH-AWEZNQCLSA-N 2 2 311.451 1.640 10 0 DDAELP CCCS(=O)(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516019 163326744 /nfs/dbraw/zinc/32/67/44/163326744.db2.gz MADJHDCMYHNXTH-AWEZNQCLSA-N 2 2 311.451 1.640 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000195249583 222194891 /nfs/dbraw/zinc/19/48/91/222194891.db2.gz CHETWGWDYMLKNE-CQSZACIVSA-N 2 2 313.467 1.214 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000195249583 222194894 /nfs/dbraw/zinc/19/48/94/222194894.db2.gz CHETWGWDYMLKNE-CQSZACIVSA-N 2 2 313.467 1.214 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000195249583 222194896 /nfs/dbraw/zinc/19/48/96/222194896.db2.gz CHETWGWDYMLKNE-CQSZACIVSA-N 2 2 313.467 1.214 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000195249583 222194898 /nfs/dbraw/zinc/19/48/98/222194898.db2.gz CHETWGWDYMLKNE-CQSZACIVSA-N 2 2 313.467 1.214 10 0 DDAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380480 422187862 /nfs/dbraw/zinc/18/78/62/422187862.db2.gz RPAIVAINMOOQPX-ZIAGYGMSSA-N 2 2 305.426 1.181 10 0 DDAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000637380480 422187868 /nfs/dbraw/zinc/18/78/68/422187868.db2.gz RPAIVAINMOOQPX-ZIAGYGMSSA-N 2 2 305.426 1.181 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C2 ZINC000261783408 278074488 /nfs/dbraw/zinc/07/44/88/278074488.db2.gz PNKCTTUCXHIQQX-CHWSQXEVSA-N 2 2 304.438 1.803 10 0 DDAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000089455461 484010516 /nfs/dbraw/zinc/01/05/16/484010516.db2.gz UUPCWSPAMFYWCC-DZGCQCFKSA-N 2 2 307.463 1.767 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000262130914 484263409 /nfs/dbraw/zinc/26/34/09/484263409.db2.gz NXASKKLNIIABJX-GXSJLCMTSA-N 2 2 306.740 1.611 10 0 DDAELP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COCc1ccccc1 ZINC000720388019 699305240 /nfs/dbraw/zinc/30/52/40/699305240.db2.gz AFAHZAPLMAXEAV-OKZBNKHCSA-N 2 2 304.434 1.733 10 0 DDAELP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COCc1ccccc1 ZINC000720388019 699305244 /nfs/dbraw/zinc/30/52/44/699305244.db2.gz AFAHZAPLMAXEAV-OKZBNKHCSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000720388019 699305248 /nfs/dbraw/zinc/30/52/48/699305248.db2.gz AFAHZAPLMAXEAV-OKZBNKHCSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000720388019 699305252 /nfs/dbraw/zinc/30/52/52/699305252.db2.gz AFAHZAPLMAXEAV-OKZBNKHCSA-N 2 2 304.434 1.733 10 0 DDAELP Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CCCCn2cc[nH+]c2C)n1 ZINC000328623984 231255159 /nfs/dbraw/zinc/25/51/59/231255159.db2.gz JNVFYTOGXRMJGG-UONOGXRCSA-N 2 2 305.382 1.471 10 0 DDAELP Cc1noc([C@H]2C[C@H](O)C[N@H+]2CCCCn2cc[nH+]c2C)n1 ZINC000328623984 231255163 /nfs/dbraw/zinc/25/51/63/231255163.db2.gz JNVFYTOGXRMJGG-UONOGXRCSA-N 2 2 305.382 1.471 10 0 DDAELP C[NH2+][C@H]1COC[C@@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000090438664 185296708 /nfs/dbraw/zinc/29/67/08/185296708.db2.gz UOLCWPNBFIHRNT-ZFWWWQNUSA-N 2 2 309.841 1.696 10 0 DDAELP CC1CC[NH+](CC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000328632412 354554129 /nfs/dbraw/zinc/55/41/29/354554129.db2.gz RTMROFVNZWYOBH-HNNXBMFYSA-N 2 2 304.438 1.636 10 0 DDAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000348073624 283354871 /nfs/dbraw/zinc/35/48/71/283354871.db2.gz AWWROYLSTHPKQM-HYVNUMGLSA-N 2 2 301.434 1.908 10 0 DDAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000348073624 283354874 /nfs/dbraw/zinc/35/48/74/283354874.db2.gz AWWROYLSTHPKQM-HYVNUMGLSA-N 2 2 301.434 1.908 10 0 DDAELP C=Cn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000193904191 201142012 /nfs/dbraw/zinc/14/20/12/201142012.db2.gz INXFMEFQPJQVMZ-UHFFFAOYSA-N 2 2 314.437 1.777 10 0 DDAELP C=Cn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000193904191 201142015 /nfs/dbraw/zinc/14/20/15/201142015.db2.gz INXFMEFQPJQVMZ-UHFFFAOYSA-N 2 2 314.437 1.777 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@H]1C[N@H+](C)CCN1C ZINC000093894754 193325065 /nfs/dbraw/zinc/32/50/65/193325065.db2.gz WDJWBTVTSRNJKZ-TZMCWYRMSA-N 2 2 313.877 1.241 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@H]1C[N@@H+](C)CCN1C ZINC000093894754 193325067 /nfs/dbraw/zinc/32/50/67/193325067.db2.gz WDJWBTVTSRNJKZ-TZMCWYRMSA-N 2 2 313.877 1.241 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093926012 193328424 /nfs/dbraw/zinc/32/84/24/193328424.db2.gz SSHWXXABVDUFNF-TZMCWYRMSA-N 2 2 314.861 1.844 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093926012 193328426 /nfs/dbraw/zinc/32/84/26/193328426.db2.gz SSHWXXABVDUFNF-TZMCWYRMSA-N 2 2 314.861 1.844 10 0 DDAELP CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094633982 193385538 /nfs/dbraw/zinc/38/55/38/193385538.db2.gz AHDTVTAFEZKPOH-HUUCEWRRSA-N 2 2 302.484 1.806 10 0 DDAELP O=C1C(C[NH2+]CCCn2cc[nH+]c2)=CC2=CC=C[C@H]3CCN1[C@@H]23 ZINC000039287534 183016319 /nfs/dbraw/zinc/01/63/19/183016319.db2.gz JLBPPPPDSRKOMD-WMLDXEAASA-N 2 2 310.401 1.516 10 0 DDAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000333340093 248967502 /nfs/dbraw/zinc/96/75/02/248967502.db2.gz XXOONJLLOOAUSY-VHDGCEQUSA-N 2 2 312.421 1.627 10 0 DDAELP Nc1c(NCC[NH+]2CCOCC2)nc[nH+]c1N1CCCCCC1 ZINC000040725680 183125043 /nfs/dbraw/zinc/12/50/43/183125043.db2.gz QMWQIKHZOKIIGR-UHFFFAOYSA-N 2 2 320.441 1.183 10 0 DDAELP Clc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(-n2cc[nH+]c2)n1 ZINC000061540927 184173634 /nfs/dbraw/zinc/17/36/34/184173634.db2.gz HVSFSKXJXVTXIY-VIFPVBQESA-N 2 2 305.773 1.359 10 0 DDAELP Clc1nc(N[C@H]2CC[N@H+](C3CC3)C2)nc(-n2cc[nH+]c2)n1 ZINC000061540927 184173636 /nfs/dbraw/zinc/17/36/36/184173636.db2.gz HVSFSKXJXVTXIY-VIFPVBQESA-N 2 2 305.773 1.359 10 0 DDAELP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCN(CC(F)(F)F)CC2)O1 ZINC000061948319 184197770 /nfs/dbraw/zinc/19/77/70/184197770.db2.gz BYIKAMCXGZVXAT-OLZOCXBDSA-N 2 2 309.376 1.323 10 0 DDAELP Cc1cccc2[nH+]c(CNC(=O)[C@H]([NH3+])C3CCOCC3)cn21 ZINC000261743134 407597425 /nfs/dbraw/zinc/59/74/25/407597425.db2.gz KPMMHVPEAIPNRK-OAHLLOKOSA-N 2 2 302.378 1.013 10 0 DDAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1c1ccccc1 ZINC000261842892 407637487 /nfs/dbraw/zinc/63/74/87/407637487.db2.gz UNLPLHAMYYNXOZ-SJORKVTESA-N 2 2 301.434 1.577 10 0 DDAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1c1ccccc1 ZINC000261842892 407637491 /nfs/dbraw/zinc/63/74/91/407637491.db2.gz UNLPLHAMYYNXOZ-SJORKVTESA-N 2 2 301.434 1.577 10 0 DDAELP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCSC1 ZINC000261998418 407707156 /nfs/dbraw/zinc/70/71/56/407707156.db2.gz UGFASBVYTCBRJI-FZKCQIBNSA-N 2 2 313.511 1.170 10 0 DDAELP CC(C)Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261901945 407664420 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/nfs/dbraw/zinc/08/96/10/408089610.db2.gz TVSLMQLSKMGPIF-HNNXBMFYSA-N 2 2 319.453 1.846 10 0 DDAELP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000171542844 162224539 /nfs/dbraw/zinc/22/45/39/162224539.db2.gz IOLKJCAKLQBYPT-OAHLLOKOSA-N 2 2 319.453 1.722 10 0 DDAELP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000171542844 162224543 /nfs/dbraw/zinc/22/45/43/162224543.db2.gz IOLKJCAKLQBYPT-OAHLLOKOSA-N 2 2 319.453 1.722 10 0 DDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000246900370 408364043 /nfs/dbraw/zinc/36/40/43/408364043.db2.gz FVHSJMNHIFVBKT-HIFRSBDPSA-N 2 2 300.410 1.797 10 0 DDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000246900370 408364044 /nfs/dbraw/zinc/36/40/44/408364044.db2.gz FVHSJMNHIFVBKT-HIFRSBDPSA-N 2 2 300.410 1.797 10 0 DDAELP CC(C)C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+](C)C ZINC000247169562 408420814 /nfs/dbraw/zinc/42/08/14/408420814.db2.gz MVWQEOWWQJZIDW-GJZGRUSLSA-N 2 2 321.469 1.826 10 0 DDAELP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249801243 408767414 /nfs/dbraw/zinc/76/74/14/408767414.db2.gz AHMNZVHFOKIFJZ-GJZGRUSLSA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249801243 408767419 /nfs/dbraw/zinc/76/74/19/408767419.db2.gz AHMNZVHFOKIFJZ-GJZGRUSLSA-N 2 2 304.438 1.976 10 0 DDAELP Cc1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000261829821 163711492 /nfs/dbraw/zinc/71/14/92/163711492.db2.gz BLVIJMNWAQZFJA-ZDUSSCGKSA-N 2 2 305.426 1.200 10 0 DDAELP Cc1nc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000302116605 282012127 /nfs/dbraw/zinc/01/21/27/282012127.db2.gz WJKUISQGBCANLG-CXAGYDPISA-N 2 2 316.449 1.821 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000089455450 484010538 /nfs/dbraw/zinc/01/05/38/484010538.db2.gz UUPCWSPAMFYWCC-UKRRQHHQSA-N 2 2 307.463 1.767 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262352867 698465968 /nfs/dbraw/zinc/46/59/68/698465968.db2.gz JIAQBSXAZRLUEI-VNHYZAJKSA-N 2 2 321.421 1.208 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262352867 698465971 /nfs/dbraw/zinc/46/59/71/698465971.db2.gz JIAQBSXAZRLUEI-VNHYZAJKSA-N 2 2 321.421 1.208 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309718161 698666524 /nfs/dbraw/zinc/66/65/24/698666524.db2.gz MSFCHYNLLDRKBJ-YESZJQIVSA-N 2 2 322.474 1.531 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309718161 698666530 /nfs/dbraw/zinc/66/65/30/698666530.db2.gz MSFCHYNLLDRKBJ-YESZJQIVSA-N 2 2 322.474 1.531 10 0 DDAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000886072158 708692460 /nfs/dbraw/zinc/69/24/60/708692460.db2.gz YNQOHEDCLJPTBU-INIZCTEOSA-N 2 2 301.394 1.520 10 0 DDAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000886072158 708692461 /nfs/dbraw/zinc/69/24/61/708692461.db2.gz YNQOHEDCLJPTBU-INIZCTEOSA-N 2 2 301.394 1.520 10 0 DDAELP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@@H]1C(C)C ZINC000888097737 709212718 /nfs/dbraw/zinc/21/27/18/709212718.db2.gz NQTPUTZNZFGZNF-NCOADZHNSA-N 2 2 306.454 1.678 10 0 DDAELP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@@H]1C(C)C ZINC000888097737 709212720 /nfs/dbraw/zinc/21/27/20/709212720.db2.gz NQTPUTZNZFGZNF-NCOADZHNSA-N 2 2 306.454 1.678 10 0 DDAELP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172746586 282167096 /nfs/dbraw/zinc/16/70/96/282167096.db2.gz FPYDLTORXWCFBS-DLBZAZTESA-N 2 2 317.433 1.222 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000092713939 185335993 /nfs/dbraw/zinc/33/59/93/185335993.db2.gz SCLBUEHYLZZQBH-NEPJUHHUSA-N 2 2 307.360 1.647 10 0 DDAELP C[NH+](C)[C@H]1CCCN(c2cc(N[C@H]3CCCOC3)[nH+]cn2)C1 ZINC000328621461 354548361 /nfs/dbraw/zinc/54/83/61/354548361.db2.gz AMVDCEHZCDCEIH-KBPBESRZSA-N 2 2 305.426 1.598 10 0 DDAELP C[N@@H+]1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000074889991 191380838 /nfs/dbraw/zinc/38/08/38/191380838.db2.gz MDVUBKDLZWAXCH-UONOGXRCSA-N 2 2 307.419 1.291 10 0 DDAELP C[N@H+]1CCO[C@@H](c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000074889991 191380839 /nfs/dbraw/zinc/38/08/39/191380839.db2.gz MDVUBKDLZWAXCH-UONOGXRCSA-N 2 2 307.419 1.291 10 0 DDAELP C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180669999 199194681 /nfs/dbraw/zinc/19/46/81/199194681.db2.gz ZLGAXZXXHWGUAV-GFCCVEGCSA-N 2 2 313.361 1.075 10 0 DDAELP CC(C)(C[N@@H+]1CCC[NH2+]C2(CCCCC2)C1)S(C)(=O)=O ZINC000093525747 193264093 /nfs/dbraw/zinc/26/40/93/193264093.db2.gz OEFAEZMDFHFRSZ-UHFFFAOYSA-N 2 2 302.484 1.808 10 0 DDAELP CC(C)(C[N@H+]1CCC[NH2+]C2(CCCCC2)C1)S(C)(=O)=O ZINC000093525747 193264094 /nfs/dbraw/zinc/26/40/94/193264094.db2.gz OEFAEZMDFHFRSZ-UHFFFAOYSA-N 2 2 302.484 1.808 10 0 DDAELP CCCCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000105862684 194149972 /nfs/dbraw/zinc/14/99/72/194149972.db2.gz KECGHYHYHREROY-AWEZNQCLSA-N 2 2 324.469 1.937 10 0 DDAELP CCCCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)no1 ZINC000105862684 194149975 /nfs/dbraw/zinc/14/99/75/194149975.db2.gz KECGHYHYHREROY-AWEZNQCLSA-N 2 2 324.469 1.937 10 0 DDAELP [NH3+]C[C@]1(C[NH+]2CCN(c3ccccc3Cl)CC2)CCOC1 ZINC000051214536 134761837 /nfs/dbraw/zinc/76/18/37/134761837.db2.gz GDKRAAVBKZEQTJ-INIZCTEOSA-N 2 2 309.841 1.827 10 0 DDAELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000123625469 407335163 /nfs/dbraw/zinc/33/51/63/407335163.db2.gz OIACPYNCXUOGRM-INIZCTEOSA-N 2 2 302.422 1.531 10 0 DDAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000170708267 407480446 /nfs/dbraw/zinc/48/04/46/407480446.db2.gz MSGWMTOPAGURQZ-OAHLLOKOSA-N 2 2 306.410 1.200 10 0 DDAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000170708267 407480450 /nfs/dbraw/zinc/48/04/50/407480450.db2.gz MSGWMTOPAGURQZ-OAHLLOKOSA-N 2 2 306.410 1.200 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000113594770 407519868 /nfs/dbraw/zinc/51/98/68/407519868.db2.gz SIXPZAPZCWHNDU-HUUCEWRRSA-N 2 2 317.437 1.762 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000113594770 407519873 /nfs/dbraw/zinc/51/98/73/407519873.db2.gz SIXPZAPZCWHNDU-HUUCEWRRSA-N 2 2 317.437 1.762 10 0 DDAELP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)n2c1 ZINC000245717194 408051697 /nfs/dbraw/zinc/05/16/97/408051697.db2.gz HEOUNNCSMVNLTE-LSDHHAIUSA-N 2 2 302.422 1.530 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270685 408084702 /nfs/dbraw/zinc/08/47/02/408084702.db2.gz SDOLIRQLIJMZRY-YOEHRIQHSA-N 3 2 323.868 1.474 10 0 DDAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263319176 408106743 /nfs/dbraw/zinc/10/67/43/408106743.db2.gz ZZGGQUKGHVAYDP-GFCCVEGCSA-N 2 2 312.364 1.198 10 0 DDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000121392360 408200560 /nfs/dbraw/zinc/20/05/60/408200560.db2.gz JRYKFHIOIPZMOF-OAHLLOKOSA-N 2 2 309.458 1.891 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000246979390 408379536 /nfs/dbraw/zinc/37/95/36/408379536.db2.gz VVCDJTIRRHPLRW-CABCVRRESA-N 2 2 320.437 1.015 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000246979390 408379539 /nfs/dbraw/zinc/37/95/39/408379539.db2.gz VVCDJTIRRHPLRW-CABCVRRESA-N 2 2 320.437 1.015 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC000248875218 408651751 /nfs/dbraw/zinc/65/17/51/408651751.db2.gz JCMGONUHHROEOZ-MSOLQXFVSA-N 2 2 323.481 1.406 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC000248875218 408651757 /nfs/dbraw/zinc/65/17/57/408651757.db2.gz JCMGONUHHROEOZ-MSOLQXFVSA-N 2 2 323.481 1.406 10 0 DDAELP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000194232814 163278289 /nfs/dbraw/zinc/27/82/89/163278289.db2.gz BYLBBJFYGOTLHC-GOEBONIOSA-N 2 2 305.422 1.126 10 0 DDAELP C[N@@H+]1CCO[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000583617556 422200902 /nfs/dbraw/zinc/20/09/02/422200902.db2.gz UKBIGZQSNGKNEE-HOTGVXAUSA-N 2 2 323.400 2.442 10 0 DDAELP C[N@H+]1CCO[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccccc1 ZINC000583617556 422200904 /nfs/dbraw/zinc/20/09/04/422200904.db2.gz UKBIGZQSNGKNEE-HOTGVXAUSA-N 2 2 323.400 2.442 10 0 DDAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000263212638 287965359 /nfs/dbraw/zinc/96/53/59/287965359.db2.gz KKUOMTGJPGHALL-DLTWYDFYSA-N 2 2 309.454 1.073 10 0 DDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540339 307272172 /nfs/dbraw/zinc/27/21/72/307272172.db2.gz OHPXAGSCLDYSHB-KBPBESRZSA-N 2 2 305.426 1.783 10 0 DDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540339 307272173 /nfs/dbraw/zinc/27/21/73/307272173.db2.gz OHPXAGSCLDYSHB-KBPBESRZSA-N 2 2 305.426 1.783 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000663372757 484835690 /nfs/dbraw/zinc/83/56/90/484835690.db2.gz QGVKNHRUWKCZRG-GUDVDZBRSA-N 2 2 317.477 1.696 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000663372757 484835693 /nfs/dbraw/zinc/83/56/93/484835693.db2.gz QGVKNHRUWKCZRG-GUDVDZBRSA-N 2 2 317.477 1.696 10 0 DDAELP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@@H]1C(C)C ZINC000888097740 709212785 /nfs/dbraw/zinc/21/27/85/709212785.db2.gz NQTPUTZNZFGZNF-WCXIOVBPSA-N 2 2 306.454 1.678 10 0 DDAELP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@@H]1C(C)C ZINC000888097740 709212789 /nfs/dbraw/zinc/21/27/89/709212789.db2.gz NQTPUTZNZFGZNF-WCXIOVBPSA-N 2 2 306.454 1.678 10 0 DDAELP CCOc1cc([C@H](C[NH3+])[NH2+]CCCO)ccc1OC(F)F ZINC000087929816 185237712 /nfs/dbraw/zinc/23/77/12/185237712.db2.gz GXYOYBSTXRTTDP-NSHDSACASA-N 2 2 304.337 1.659 10 0 DDAELP CC[C@H](C[NH3+])S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000088471866 185251848 /nfs/dbraw/zinc/25/18/48/185251848.db2.gz UHMVMFOAONSFTB-HUUCEWRRSA-N 2 2 311.451 1.042 10 0 DDAELP CC[C@H](C[NH3+])S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000088471866 185251849 /nfs/dbraw/zinc/25/18/49/185251849.db2.gz UHMVMFOAONSFTB-HUUCEWRRSA-N 2 2 311.451 1.042 10 0 DDAELP [NH3+][C@H]1CCC2(C[C@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419644 185249399 /nfs/dbraw/zinc/24/93/99/185249399.db2.gz OMRPAHFCADWWQU-NWDGAFQWSA-N 2 2 308.344 1.884 10 0 DDAELP C[C@@H](c1nc2ccccc2s1)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308434 185290118 /nfs/dbraw/zinc/29/01/18/185290118.db2.gz XLCOWNSTZKLBSW-LBPRGKRZSA-N 2 2 302.447 1.947 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000090327050 185291287 /nfs/dbraw/zinc/29/12/87/185291287.db2.gz YIMKZKJOXMAABW-KYOSRNDESA-N 2 2 307.825 1.496 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000090327050 185291288 /nfs/dbraw/zinc/29/12/88/185291288.db2.gz YIMKZKJOXMAABW-KYOSRNDESA-N 2 2 307.825 1.496 10 0 DDAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)N(C)Cc1cccs1 ZINC000090332877 185291483 /nfs/dbraw/zinc/29/14/83/185291483.db2.gz LYFOOLSAWAJCTA-BPLDGKMQSA-N 2 2 307.463 1.636 10 0 DDAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)N(C)Cc1cccs1 ZINC000090332877 185291484 /nfs/dbraw/zinc/29/14/84/185291484.db2.gz LYFOOLSAWAJCTA-BPLDGKMQSA-N 2 2 307.463 1.636 10 0 DDAELP COc1cc2c(c(F)c1)CN(CCCn1cc[nH+]c1)[C@@H]2C[NH3+] ZINC000071683453 191007346 /nfs/dbraw/zinc/00/73/46/191007346.db2.gz CLHKBHXLRUFRPP-MRXNPFEDSA-N 2 2 304.369 1.937 10 0 DDAELP COc1c(C)c[nH+]c(CNc2ncnc3c2CC[NH2+]CC3)c1C ZINC000072448049 191170475 /nfs/dbraw/zinc/17/04/75/191170475.db2.gz OWYZPNXYVABCIN-UHFFFAOYSA-N 2 2 313.405 1.797 10 0 DDAELP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269664 192018982 /nfs/dbraw/zinc/01/89/82/192018982.db2.gz RBWVKPGKCFNPSP-DGCLKSJQSA-N 2 2 308.451 1.537 10 0 DDAELP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269664 192018984 /nfs/dbraw/zinc/01/89/84/192018984.db2.gz RBWVKPGKCFNPSP-DGCLKSJQSA-N 2 2 308.451 1.537 10 0 DDAELP CCCCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000195218438 201362004 /nfs/dbraw/zinc/36/20/04/201362004.db2.gz HSDXQDMYEKFQDT-HNNXBMFYSA-N 2 2 308.426 1.085 10 0 DDAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697657 193292651 /nfs/dbraw/zinc/29/26/51/193292651.db2.gz UOXZJXOUPKBWEJ-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697657 193292653 /nfs/dbraw/zinc/29/26/53/193292653.db2.gz UOXZJXOUPKBWEJ-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1C[N@H+](CC)CCO1 ZINC000093913895 193327504 /nfs/dbraw/zinc/32/75/04/193327504.db2.gz JIKIZHJSAYTREX-AAEUAGOBSA-N 2 2 300.834 1.455 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1C[N@@H+](CC)CCO1 ZINC000093913895 193327506 /nfs/dbraw/zinc/32/75/06/193327506.db2.gz JIKIZHJSAYTREX-AAEUAGOBSA-N 2 2 300.834 1.455 10 0 DDAELP C[NH+](C)CCN1CC[NH+]([C@@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489508 193373404 /nfs/dbraw/zinc/37/34/04/193373404.db2.gz QTVJUUKMGQNOGZ-INIZCTEOSA-N 3 2 314.543 1.026 10 0 DDAELP C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509002 193375093 /nfs/dbraw/zinc/37/50/93/193375093.db2.gz IPCMXIYHLRXLGP-OLZOCXBDSA-N 2 2 308.495 1.571 10 0 DDAELP [NH3+]CC1C[NH+]([C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952180 183023868 /nfs/dbraw/zinc/02/38/68/183023868.db2.gz FOCCGVWNUFVKGJ-INIZCTEOSA-N 2 2 303.406 1.678 10 0 DDAELP CCC[NH2+][C@@](C)(CN(CCC)CC[NH+](C)C)C(=O)OCC ZINC000041674788 183215215 /nfs/dbraw/zinc/21/52/15/183215215.db2.gz AQUFUJWAAWIKJW-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP CCCN(CC[NH+](C)C)C[C@@](C)([NH2+]C(C)C)C(=O)OCC ZINC000041674822 183215409 /nfs/dbraw/zinc/21/54/09/183215409.db2.gz UIGHAARSWSSTLC-MRXNPFEDSA-N 2 2 301.475 1.580 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000042440480 183270468 /nfs/dbraw/zinc/27/04/68/183270468.db2.gz GLYDCOWKDYCKBI-ZDUSSCGKSA-N 2 2 301.228 1.851 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440480 183270471 /nfs/dbraw/zinc/27/04/71/183270471.db2.gz GLYDCOWKDYCKBI-ZDUSSCGKSA-N 2 2 301.228 1.851 10 0 DDAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000042778743 183308120 /nfs/dbraw/zinc/30/81/20/183308120.db2.gz AEEUOPFLEXDDGD-GFCCVEGCSA-N 2 2 307.360 1.614 10 0 DDAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000042778743 183308123 /nfs/dbraw/zinc/30/81/23/183308123.db2.gz AEEUOPFLEXDDGD-GFCCVEGCSA-N 2 2 307.360 1.614 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000106124091 194187465 /nfs/dbraw/zinc/18/74/65/194187465.db2.gz VAKJNTOBQRFRMP-LJQANCHMSA-N 2 2 317.477 1.913 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000106124091 194187468 /nfs/dbraw/zinc/18/74/68/194187468.db2.gz VAKJNTOBQRFRMP-LJQANCHMSA-N 2 2 317.477 1.913 10 0 DDAELP C[NH+](C)CCN1CC[NH+](CCNc2ccccc2Cl)CC1 ZINC000061655390 184180848 /nfs/dbraw/zinc/18/08/48/184180848.db2.gz CYXQPXGNGNRKCP-UHFFFAOYSA-N 2 2 310.873 1.931 10 0 DDAELP CS(=O)(=O)N1CC[N@H+](C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261821318 407627965 /nfs/dbraw/zinc/62/79/65/407627965.db2.gz ILARDAXJWCSOJY-CQSZACIVSA-N 2 2 323.462 1.268 10 0 DDAELP CS(=O)(=O)N1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)Cc2ccccc21 ZINC000261821318 407627970 /nfs/dbraw/zinc/62/79/70/407627970.db2.gz ILARDAXJWCSOJY-CQSZACIVSA-N 2 2 323.462 1.268 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262210616 407765358 /nfs/dbraw/zinc/76/53/58/407765358.db2.gz DXHSQABLHZIWDP-HNNXBMFYSA-N 2 2 305.422 1.083 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262210616 407765365 /nfs/dbraw/zinc/76/53/65/407765365.db2.gz DXHSQABLHZIWDP-HNNXBMFYSA-N 2 2 305.422 1.083 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCSc4ccccc43)C[C@H]12 ZINC000262554881 407865677 /nfs/dbraw/zinc/86/56/77/407865677.db2.gz TYPCDOVWCODQEX-MELADBBJSA-N 2 2 317.458 1.794 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCSc4ccccc43)C[C@H]12 ZINC000262554881 407865681 /nfs/dbraw/zinc/86/56/81/407865681.db2.gz TYPCDOVWCODQEX-MELADBBJSA-N 2 2 317.458 1.794 10 0 DDAELP CC(C)n1nnnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954547 407908268 /nfs/dbraw/zinc/90/82/68/407908268.db2.gz MEHOGBNBAYAWDA-UHFFFAOYSA-N 2 2 322.457 1.331 10 0 DDAELP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000174241681 407923881 /nfs/dbraw/zinc/92/38/81/407923881.db2.gz DVNRXYJWCFYMSH-HNNXBMFYSA-N 2 2 314.474 1.125 10 0 DDAELP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000174241681 407923887 /nfs/dbraw/zinc/92/38/87/407923887.db2.gz DVNRXYJWCFYMSH-HNNXBMFYSA-N 2 2 314.474 1.125 10 0 DDAELP C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900464 408131971 /nfs/dbraw/zinc/13/19/71/408131971.db2.gz ZPPJWQYKRDJOAH-WMLDXEAASA-N 2 2 311.389 1.781 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162995369 408751210 /nfs/dbraw/zinc/75/12/10/408751210.db2.gz SZVHRQBOUNAXNL-HUUCEWRRSA-N 2 2 321.469 1.795 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000162995369 408751215 /nfs/dbraw/zinc/75/12/15/408751215.db2.gz SZVHRQBOUNAXNL-HUUCEWRRSA-N 2 2 321.469 1.795 10 0 DDAELP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000284965565 409378081 /nfs/dbraw/zinc/37/80/81/409378081.db2.gz WSKIHCGSIJLNLE-DOTOQJQBSA-N 2 2 316.453 1.669 10 0 DDAELP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000284965565 409378087 /nfs/dbraw/zinc/37/80/87/409378087.db2.gz WSKIHCGSIJLNLE-DOTOQJQBSA-N 2 2 316.453 1.669 10 0 DDAELP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284965565 409378090 /nfs/dbraw/zinc/37/80/90/409378090.db2.gz WSKIHCGSIJLNLE-DOTOQJQBSA-N 2 2 316.453 1.669 10 0 DDAELP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284965565 409378095 /nfs/dbraw/zinc/37/80/95/409378095.db2.gz WSKIHCGSIJLNLE-DOTOQJQBSA-N 2 2 316.453 1.669 10 0 DDAELP O[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975472 227291211 /nfs/dbraw/zinc/29/12/11/227291211.db2.gz GVAKHYMHXOCEAV-ROUUACIJSA-N 3 2 303.450 1.355 10 0 DDAELP O[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975472 227291216 /nfs/dbraw/zinc/29/12/16/227291216.db2.gz GVAKHYMHXOCEAV-ROUUACIJSA-N 3 2 303.450 1.355 10 0 DDAELP C[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000246630172 279320391 /nfs/dbraw/zinc/32/03/91/279320391.db2.gz STLGPSFCXGADAH-KGLIPLIRSA-N 2 2 311.451 1.496 10 0 DDAELP C[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000246630172 279320394 /nfs/dbraw/zinc/32/03/94/279320394.db2.gz STLGPSFCXGADAH-KGLIPLIRSA-N 2 2 311.451 1.496 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000247501298 282056589 /nfs/dbraw/zinc/05/65/89/282056589.db2.gz XKDBOHGZEUUKQS-CVEARBPZSA-N 2 2 311.470 1.430 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000247501298 282056592 /nfs/dbraw/zinc/05/65/92/282056592.db2.gz XKDBOHGZEUUKQS-CVEARBPZSA-N 2 2 311.470 1.430 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000262130915 484264159 /nfs/dbraw/zinc/26/41/59/484264159.db2.gz NXASKKLNIIABJX-KOLCDFICSA-N 2 2 306.740 1.611 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000262165132 484264942 /nfs/dbraw/zinc/26/49/42/484264942.db2.gz UGBRMYGXALKWFB-JOYOIKCWSA-N 2 2 319.630 1.772 10 0 DDAELP Brc1ccsc1C[NH2+]CC[C@@H]1COCC[NH2+]1 ZINC000087575986 185228612 /nfs/dbraw/zinc/22/86/12/185228612.db2.gz WMXJUSGRGHUOOH-SECBINFHSA-N 2 2 305.241 1.979 10 0 DDAELP CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655628 354560193 /nfs/dbraw/zinc/56/01/93/354560193.db2.gz YONGBUTWLDCBBQ-RYUDHWBXSA-N 2 2 305.382 1.668 10 0 DDAELP CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655628 354560196 /nfs/dbraw/zinc/56/01/96/354560196.db2.gz YONGBUTWLDCBBQ-RYUDHWBXSA-N 2 2 305.382 1.668 10 0 DDAELP [NH3+][C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000237799059 202357655 /nfs/dbraw/zinc/35/76/55/202357655.db2.gz NTJFMGLTRNFDPG-NVXWUHKLSA-N 2 2 317.433 1.257 10 0 DDAELP C[N@H+](CCc1cccs1)[C@@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000093267756 193222628 /nfs/dbraw/zinc/22/26/28/193222628.db2.gz IMBDBHBGKGCEDN-CQSZACIVSA-N 2 2 309.479 1.952 10 0 DDAELP C[N@@H+](CCc1cccs1)[C@@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000093267756 193222630 /nfs/dbraw/zinc/22/26/30/193222630.db2.gz IMBDBHBGKGCEDN-CQSZACIVSA-N 2 2 309.479 1.952 10 0 DDAELP C[NH2+][C@@]1(CO)CCC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093781612 193307281 /nfs/dbraw/zinc/30/72/81/193307281.db2.gz GDKZGGHDWLGSES-OLZOCXBDSA-N 2 2 309.376 1.059 10 0 DDAELP C[NH2+][C@@H](Cc1ccccc1Br)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509405 193376105 /nfs/dbraw/zinc/37/61/05/193376105.db2.gz DCOKEKGVJNEKNJ-GJZGRUSLSA-N 2 2 324.266 1.579 10 0 DDAELP C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)C[NH2+]C1CC1 ZINC000042439962 183270010 /nfs/dbraw/zinc/27/00/10/183270010.db2.gz QEQIITJWXHNMNK-AWEZNQCLSA-N 2 2 313.239 1.994 10 0 DDAELP C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)C[NH2+]C1CC1 ZINC000042439962 183270012 /nfs/dbraw/zinc/27/00/12/183270012.db2.gz QEQIITJWXHNMNK-AWEZNQCLSA-N 2 2 313.239 1.994 10 0 DDAELP Cn1cc[nH+]c1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000045134344 183483254 /nfs/dbraw/zinc/48/32/54/183483254.db2.gz RWDCDCYMWNHLON-CYBMUJFWSA-N 2 2 309.797 1.646 10 0 DDAELP Cc1nc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cs1 ZINC000105819590 194136340 /nfs/dbraw/zinc/13/63/40/194136340.db2.gz JGSANTZMFGYUQQ-UHFFFAOYSA-N 2 2 324.494 1.826 10 0 DDAELP Cc1nc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cs1 ZINC000105819590 194136342 /nfs/dbraw/zinc/13/63/42/194136342.db2.gz JGSANTZMFGYUQQ-UHFFFAOYSA-N 2 2 324.494 1.826 10 0 DDAELP Cc1nc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cs1 ZINC000105819590 194136344 /nfs/dbraw/zinc/13/63/44/194136344.db2.gz JGSANTZMFGYUQQ-UHFFFAOYSA-N 2 2 324.494 1.826 10 0 DDAELP Cc1nc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cs1 ZINC000105819590 194136345 /nfs/dbraw/zinc/13/63/45/194136345.db2.gz JGSANTZMFGYUQQ-UHFFFAOYSA-N 2 2 324.494 1.826 10 0 DDAELP c1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)nc1 ZINC000253596329 257105706 /nfs/dbraw/zinc/10/57/06/257105706.db2.gz QAPOAVHMAXIEDG-NXHRZFHOSA-N 2 2 317.433 1.251 10 0 DDAELP c1ccc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)nc1 ZINC000253596329 257105707 /nfs/dbraw/zinc/10/57/07/257105707.db2.gz QAPOAVHMAXIEDG-NXHRZFHOSA-N 2 2 317.433 1.251 10 0 DDAELP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000261629942 407560459 /nfs/dbraw/zinc/56/04/59/407560459.db2.gz CXVFRANSHYALTD-AEGPPILISA-N 2 2 314.389 1.914 10 0 DDAELP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000261629942 407560463 /nfs/dbraw/zinc/56/04/63/407560463.db2.gz CXVFRANSHYALTD-AEGPPILISA-N 2 2 314.389 1.914 10 0 DDAELP CCOC(=O)c1c[nH+]c2cc(OC)ccc2c1N1CC[NH2+]CC1 ZINC000053994670 407176526 /nfs/dbraw/zinc/17/65/26/407176526.db2.gz GCTOOBAQRJRBGL-UHFFFAOYSA-N 2 2 315.373 1.830 10 0 DDAELP CC(C)Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261901943 407664111 /nfs/dbraw/zinc/66/41/11/407664111.db2.gz HUTDBXIZZAPZJB-BZUAXINKSA-N 2 2 306.454 1.786 10 0 DDAELP CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000262273786 407782098 /nfs/dbraw/zinc/78/20/98/407782098.db2.gz SVFXVLGEPXJKAY-CQSZACIVSA-N 2 2 301.394 1.931 10 0 DDAELP CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000262273786 407782104 /nfs/dbraw/zinc/78/21/04/407782104.db2.gz SVFXVLGEPXJKAY-CQSZACIVSA-N 2 2 301.394 1.931 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262404199 407824279 /nfs/dbraw/zinc/82/42/79/407824279.db2.gz COTKYVRCMQUXEF-BFHYXJOUSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262404199 407824283 /nfs/dbraw/zinc/82/42/83/407824283.db2.gz COTKYVRCMQUXEF-BFHYXJOUSA-N 2 2 303.406 1.693 10 0 DDAELP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262401969 407824992 /nfs/dbraw/zinc/82/49/92/407824992.db2.gz CJFVGEQNHICPRH-VHRBIJSZSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262401969 407824996 /nfs/dbraw/zinc/82/49/96/407824996.db2.gz CJFVGEQNHICPRH-VHRBIJSZSA-N 2 2 323.824 1.956 10 0 DDAELP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1N1CCOCC1 ZINC000245642349 408035563 /nfs/dbraw/zinc/03/55/63/408035563.db2.gz DRZOJKGJCKRBJD-GOEBONIOSA-N 2 2 300.406 1.487 10 0 DDAELP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1N1CCOCC1 ZINC000245642349 408035573 /nfs/dbraw/zinc/03/55/73/408035573.db2.gz DRZOJKGJCKRBJD-GOEBONIOSA-N 2 2 300.406 1.487 10 0 DDAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263197875 408053273 /nfs/dbraw/zinc/05/32/73/408053273.db2.gz IRNCEPCVZIKWSL-SJORKVTESA-N 3 2 305.466 1.315 10 0 DDAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263197875 408053279 /nfs/dbraw/zinc/05/32/79/408053279.db2.gz IRNCEPCVZIKWSL-SJORKVTESA-N 3 2 305.466 1.315 10 0 DDAELP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263082883 408021856 /nfs/dbraw/zinc/02/18/56/408021856.db2.gz XREFGJHNXJPSRH-NSHDSACASA-N 2 2 315.389 1.220 10 0 DDAELP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263082883 408021865 /nfs/dbraw/zinc/02/18/65/408021865.db2.gz XREFGJHNXJPSRH-NSHDSACASA-N 2 2 315.389 1.220 10 0 DDAELP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000175168102 408068333 /nfs/dbraw/zinc/06/83/33/408068333.db2.gz REEJYXGHEVUAIJ-LSDHHAIUSA-N 2 2 319.453 1.358 10 0 DDAELP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000175168102 408068339 /nfs/dbraw/zinc/06/83/39/408068339.db2.gz REEJYXGHEVUAIJ-LSDHHAIUSA-N 2 2 319.453 1.358 10 0 DDAELP COc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263236985 408070981 /nfs/dbraw/zinc/07/09/81/408070981.db2.gz OEPNHWGADUSVRS-ZYHUDNBSSA-N 2 2 315.211 1.128 10 0 DDAELP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000155716945 408200676 /nfs/dbraw/zinc/20/06/76/408200676.db2.gz TVXZXHQGIIREPF-AWEZNQCLSA-N 2 2 305.422 1.199 10 0 DDAELP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000193323791 418530019 /nfs/dbraw/zinc/53/00/19/418530019.db2.gz MUGICBGFWVJSHJ-CQSZACIVSA-N 2 2 321.469 1.410 10 0 DDAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000312567523 418591428 /nfs/dbraw/zinc/59/14/28/418591428.db2.gz NXIVCSNKUDKWAW-SWLSCSKDSA-N 2 2 300.830 1.930 10 0 DDAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000312567523 418591432 /nfs/dbraw/zinc/59/14/32/418591432.db2.gz NXIVCSNKUDKWAW-SWLSCSKDSA-N 2 2 300.830 1.930 10 0 DDAELP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000262710251 276051490 /nfs/dbraw/zinc/05/14/90/276051490.db2.gz PXOIEYMBJLWNKB-WBMJQRKESA-N 2 2 320.441 1.121 10 0 DDAELP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000262710251 276051492 /nfs/dbraw/zinc/05/14/92/276051492.db2.gz PXOIEYMBJLWNKB-WBMJQRKESA-N 2 2 320.441 1.121 10 0 DDAELP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187394157 277394514 /nfs/dbraw/zinc/39/45/14/277394514.db2.gz DNZRGCHNGDUEQE-GDBMZVCRSA-N 2 2 316.511 1.910 10 0 DDAELP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000187394157 277394515 /nfs/dbraw/zinc/39/45/15/277394515.db2.gz DNZRGCHNGDUEQE-GDBMZVCRSA-N 2 2 316.511 1.910 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000168409143 298217868 /nfs/dbraw/zinc/21/78/68/298217868.db2.gz QRPBIQUMOFBZOY-CHWSQXEVSA-N 2 2 304.438 1.946 10 0 DDAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479295 302370035 /nfs/dbraw/zinc/37/00/35/302370035.db2.gz VUFDNEPJEVQYGD-WDSOQIARSA-N 3 2 317.477 1.865 10 0 DDAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479295 302370037 /nfs/dbraw/zinc/37/00/37/302370037.db2.gz VUFDNEPJEVQYGD-WDSOQIARSA-N 3 2 317.477 1.865 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1CC(=O)N(C(C)C)C1=O ZINC000176080830 697400844 /nfs/dbraw/zinc/40/08/44/697400844.db2.gz BDASHJDCLIWRAD-CQSZACIVSA-N 2 2 319.409 1.286 10 0 DDAELP CC[NH+]1CCN(C(=O)CCc2c(C)[nH+]c3ccccn32)CC1 ZINC000096772810 185386875 /nfs/dbraw/zinc/38/68/75/185386875.db2.gz CPRBRIJTUKBNOA-UHFFFAOYSA-N 2 2 300.406 1.739 10 0 DDAELP CCn1c[nH+]cc1[C@H](C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000090174329 185285110 /nfs/dbraw/zinc/28/51/10/185285110.db2.gz SUIJXNBMWATHAU-NSHDSACASA-N 2 2 305.348 1.083 10 0 DDAELP CCCc1nnc(N2CCC3(CC2)C[N@H+](C)CCC[NH+]3C)o1 ZINC000095391031 185351589 /nfs/dbraw/zinc/35/15/89/185351589.db2.gz ADLGOBQATVDYJD-UHFFFAOYSA-N 2 2 307.442 1.628 10 0 DDAELP CCCc1nnc(N2CCC3(CC2)C[N@@H+](C)CCC[NH+]3C)o1 ZINC000095391031 185351590 /nfs/dbraw/zinc/35/15/90/185351590.db2.gz ADLGOBQATVDYJD-UHFFFAOYSA-N 2 2 307.442 1.628 10 0 DDAELP CCCc1nnc(N2CCC3(CC2)C[NH+](C)CCC[N@@H+]3C)o1 ZINC000095391031 185351591 /nfs/dbraw/zinc/35/15/91/185351591.db2.gz ADLGOBQATVDYJD-UHFFFAOYSA-N 2 2 307.442 1.628 10 0 DDAELP CCCc1nnc(N2CCC3(CC2)C[NH+](C)CCC[N@H+]3C)o1 ZINC000095391031 185351592 /nfs/dbraw/zinc/35/15/92/185351592.db2.gz ADLGOBQATVDYJD-UHFFFAOYSA-N 2 2 307.442 1.628 10 0 DDAELP C[NH2+][C@]1(CO)CCC[C@@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093781611 193307247 /nfs/dbraw/zinc/30/72/47/193307247.db2.gz GDKZGGHDWLGSES-CHWSQXEVSA-N 2 2 309.376 1.059 10 0 DDAELP Cc1cccc([C@@H](NC(=O)CC[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000041536562 183199806 /nfs/dbraw/zinc/19/98/06/183199806.db2.gz WFAMSWDVKOGFPM-MRXNPFEDSA-N 2 2 300.406 1.886 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000042439948 183270629 /nfs/dbraw/zinc/27/06/29/183270629.db2.gz RSCWFNYCGMFQOO-ZDUSSCGKSA-N 2 2 301.228 1.851 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042439948 183270631 /nfs/dbraw/zinc/27/06/31/183270631.db2.gz RSCWFNYCGMFQOO-ZDUSSCGKSA-N 2 2 301.228 1.851 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)CCOCC)OCCO2 ZINC000111119038 194392536 /nfs/dbraw/zinc/39/25/36/194392536.db2.gz JIPMPJKSBXIVDM-GJZGRUSLSA-N 2 2 300.443 1.619 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)CCOCC)OCCO2 ZINC000111119038 194392537 /nfs/dbraw/zinc/39/25/37/194392537.db2.gz JIPMPJKSBXIVDM-GJZGRUSLSA-N 2 2 300.443 1.619 10 0 DDAELP Cc1ccsc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977922 184264291 /nfs/dbraw/zinc/26/42/91/184264291.db2.gz HNEOZTOFCLVNCX-ILXRZTDVSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@H]([C@@H](C)[NH3+])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977922 184264292 /nfs/dbraw/zinc/26/42/92/184264292.db2.gz HNEOZTOFCLVNCX-ILXRZTDVSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977922 184264293 /nfs/dbraw/zinc/26/42/93/184264293.db2.gz HNEOZTOFCLVNCX-ILXRZTDVSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1csc(CC[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000063132820 184272629 /nfs/dbraw/zinc/27/26/29/184272629.db2.gz RNIOBQZOFAHKSH-UHFFFAOYSA-N 2 2 310.467 1.136 10 0 DDAELP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccccc3OC)C[C@H]2C1 ZINC000248129122 257108728 /nfs/dbraw/zinc/10/87/28/257108728.db2.gz JPWFEWWJRCLHSB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP COCC[N@H+]1CCO[C@H]2C[NH+](Cc3ccccc3OC)C[C@H]2C1 ZINC000248129122 257108729 /nfs/dbraw/zinc/10/87/29/257108729.db2.gz JPWFEWWJRCLHSB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@H+](Cc3ccccc3OC)C[C@H]2C1 ZINC000248129122 257108731 /nfs/dbraw/zinc/10/87/31/257108731.db2.gz JPWFEWWJRCLHSB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2C1 ZINC000248129122 257108733 /nfs/dbraw/zinc/10/87/33/257108733.db2.gz JPWFEWWJRCLHSB-AEFFLSMTSA-N 2 2 320.433 1.474 10 0 DDAELP c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000248024050 257110660 /nfs/dbraw/zinc/11/06/60/257110660.db2.gz JBLAULSUAUUOJZ-ZWKOTPCHSA-N 2 2 302.418 1.467 10 0 DDAELP c1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000248024050 257110661 /nfs/dbraw/zinc/11/06/61/257110661.db2.gz JBLAULSUAUUOJZ-ZWKOTPCHSA-N 2 2 302.418 1.467 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000261896688 407660400 /nfs/dbraw/zinc/66/04/00/407660400.db2.gz HDYRHQHBHIDXLV-XHSDSOJGSA-N 2 2 304.438 1.466 10 0 DDAELP c1c(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000261896688 407660409 /nfs/dbraw/zinc/66/04/09/407660409.db2.gz HDYRHQHBHIDXLV-XHSDSOJGSA-N 2 2 304.438 1.466 10 0 DDAELP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859072 407643478 /nfs/dbraw/zinc/64/34/78/407643478.db2.gz BYLIHXDPXGTPGZ-KZNAEPCWSA-N 3 2 309.498 1.998 10 0 DDAELP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859072 407643485 /nfs/dbraw/zinc/64/34/85/407643485.db2.gz BYLIHXDPXGTPGZ-KZNAEPCWSA-N 3 2 309.498 1.998 10 0 DDAELP C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000261989023 407703703 /nfs/dbraw/zinc/70/37/03/407703703.db2.gz BEZTWENLJPPLKL-KRWDZBQOSA-N 2 2 301.434 1.645 10 0 DDAELP C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000261989023 407703711 /nfs/dbraw/zinc/70/37/11/407703711.db2.gz BEZTWENLJPPLKL-KRWDZBQOSA-N 2 2 301.434 1.645 10 0 DDAELP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000262495972 407851666 /nfs/dbraw/zinc/85/16/66/407851666.db2.gz LKBBUXRDKBPLBX-CQSZACIVSA-N 2 2 310.442 1.219 10 0 DDAELP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000262495972 407851672 /nfs/dbraw/zinc/85/16/72/407851672.db2.gz LKBBUXRDKBPLBX-CQSZACIVSA-N 2 2 310.442 1.219 10 0 DDAELP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263133416 408034909 /nfs/dbraw/zinc/03/49/09/408034909.db2.gz BWZLQLCQAQLFBB-LSDHHAIUSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263133416 408034916 /nfs/dbraw/zinc/03/49/16/408034916.db2.gz BWZLQLCQAQLFBB-LSDHHAIUSA-N 2 2 323.387 1.764 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(COC)no2)C1 ZINC000182243049 408104399 /nfs/dbraw/zinc/10/43/99/408104399.db2.gz LVLBUDHEHISCNU-LBPRGKRZSA-N 2 2 305.382 1.812 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(COC)no2)C1 ZINC000182243049 408104407 /nfs/dbraw/zinc/10/44/07/408104407.db2.gz LVLBUDHEHISCNU-LBPRGKRZSA-N 2 2 305.382 1.812 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247271234 408442126 /nfs/dbraw/zinc/44/21/26/408442126.db2.gz JXNNROGYCROKSR-QLFBSQMISA-N 2 2 319.453 1.578 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247271234 408442129 /nfs/dbraw/zinc/44/21/29/408442129.db2.gz JXNNROGYCROKSR-QLFBSQMISA-N 2 2 319.453 1.578 10 0 DDAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248658526 408611863 /nfs/dbraw/zinc/61/18/63/408611863.db2.gz UFQQIVKOMZPXNB-JKSUJKDBSA-N 2 2 307.438 1.993 10 0 DDAELP CCCCOC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248658526 408611870 /nfs/dbraw/zinc/61/18/70/408611870.db2.gz UFQQIVKOMZPXNB-JKSUJKDBSA-N 2 2 307.438 1.993 10 0 DDAELP C[NH+](C)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000253359256 408813874 /nfs/dbraw/zinc/81/38/74/408813874.db2.gz KOQVSGPBWDHGQF-IRXDYDNUSA-N 2 2 301.434 1.986 10 0 DDAELP C[NH+](C)[C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000253359256 408813877 /nfs/dbraw/zinc/81/38/77/408813877.db2.gz KOQVSGPBWDHGQF-IRXDYDNUSA-N 2 2 301.434 1.986 10 0 DDAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516000 163327104 /nfs/dbraw/zinc/32/71/04/163327104.db2.gz ATVXVDDAEDKMTO-HNNXBMFYSA-N 2 2 302.422 1.684 10 0 DDAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516000 163327105 /nfs/dbraw/zinc/32/71/05/163327105.db2.gz ATVXVDDAEDKMTO-HNNXBMFYSA-N 2 2 302.422 1.684 10 0 DDAELP Cn1nccc1C[N@@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328638177 418606766 /nfs/dbraw/zinc/60/67/66/418606766.db2.gz PAIQFQGZNDAMOU-ZDUSSCGKSA-N 2 2 300.410 1.864 10 0 DDAELP Cn1nccc1C[N@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328638177 418606769 /nfs/dbraw/zinc/60/67/69/418606769.db2.gz PAIQFQGZNDAMOU-ZDUSSCGKSA-N 2 2 300.410 1.864 10 0 DDAELP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262017765 275395346 /nfs/dbraw/zinc/39/53/46/275395346.db2.gz WHRKEKWKBXZUPJ-RBSFLKMASA-N 2 2 319.453 1.251 10 0 DDAELP C[NH2+]C[C@H]1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261830359 277286426 /nfs/dbraw/zinc/28/64/26/277286426.db2.gz XNMQEMMMFHUPEV-CYBMUJFWSA-N 2 2 308.389 1.861 10 0 DDAELP C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184973757 297148739 /nfs/dbraw/zinc/14/87/39/297148739.db2.gz VYGYGHZKWHMFBE-INMHGKMJSA-N 2 2 319.449 1.515 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000262199394 484264881 /nfs/dbraw/zinc/26/48/81/484264881.db2.gz ZVVBSQMULBDLDF-CABZTGNLSA-N 2 2 303.175 1.258 10 0 DDAELP CC[N@H+](CC(=O)N1C[C@H](OC)C[C@H]1c1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000888103026 709214178 /nfs/dbraw/zinc/21/41/78/709214178.db2.gz ADVRYFJOUFBWSU-CABCVRRESA-N 2 2 320.437 1.799 10 0 DDAELP CC[N@@H+](CC(=O)N1C[C@H](OC)C[C@H]1c1[nH]c(C)c(C)[nH+]1)C1CC1 ZINC000888103026 709214180 /nfs/dbraw/zinc/21/41/80/709214180.db2.gz ADVRYFJOUFBWSU-CABCVRRESA-N 2 2 320.437 1.799 10 0 DDAELP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCc2c[nH+]c[nH]2)c1 ZINC000087545702 185228024 /nfs/dbraw/zinc/22/80/24/185228024.db2.gz KENDREZSLMMNCQ-CQSZACIVSA-N 2 2 308.407 1.341 10 0 DDAELP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCc2c[nH]c[nH+]2)c1 ZINC000087545702 185228025 /nfs/dbraw/zinc/22/80/25/185228025.db2.gz KENDREZSLMMNCQ-CQSZACIVSA-N 2 2 308.407 1.341 10 0 DDAELP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)o1 ZINC000088543331 185256192 /nfs/dbraw/zinc/25/61/92/185256192.db2.gz BNUGFYQTJVHLIC-UHFFFAOYSA-N 2 2 315.439 1.104 10 0 DDAELP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)o1 ZINC000088543331 185256193 /nfs/dbraw/zinc/25/61/93/185256193.db2.gz BNUGFYQTJVHLIC-UHFFFAOYSA-N 2 2 315.439 1.104 10 0 DDAELP Cc1nccnc1[C@H](C)[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000685943050 539567339 /nfs/dbraw/zinc/56/73/39/539567339.db2.gz QPUVRPZHIMMMDE-ZFWWWQNUSA-N 2 2 313.405 1.772 10 0 DDAELP CCn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](OC)C1 ZINC000626051116 367302943 /nfs/dbraw/zinc/30/29/43/367302943.db2.gz JKZZTNGVVRXVAG-BBWFWOEESA-N 2 2 306.454 1.677 10 0 DDAELP CCn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](OC)C1 ZINC000626051116 367302951 /nfs/dbraw/zinc/30/29/51/367302951.db2.gz JKZZTNGVVRXVAG-BBWFWOEESA-N 2 2 306.454 1.677 10 0 DDAELP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927004 193329409 /nfs/dbraw/zinc/32/94/09/193329409.db2.gz QAGNVLXQAVITRA-TZMCWYRMSA-N 2 2 314.861 1.622 10 0 DDAELP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927004 193329411 /nfs/dbraw/zinc/32/94/11/193329411.db2.gz QAGNVLXQAVITRA-TZMCWYRMSA-N 2 2 314.861 1.622 10 0 DDAELP CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094633981 193385629 /nfs/dbraw/zinc/38/56/29/193385629.db2.gz AHDTVTAFEZKPOH-GJZGRUSLSA-N 2 2 302.484 1.806 10 0 DDAELP COc1ccc([C@H](C)[NH+]2CCN(C(=O)CC[NH3+])CC2)cc1OC ZINC000024867904 182393722 /nfs/dbraw/zinc/39/37/22/182393722.db2.gz XYQBYMGATCZDOV-ZDUSSCGKSA-N 2 2 321.421 1.258 10 0 DDAELP Cc1cccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)n1 ZINC000040685456 183117910 /nfs/dbraw/zinc/11/79/10/183117910.db2.gz PUVNBVNUSITPCD-UHFFFAOYSA-N 2 2 314.397 1.080 10 0 DDAELP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+](CCO)CCO ZINC000043021074 183330014 /nfs/dbraw/zinc/33/00/14/183330014.db2.gz IGGJWPZPGMWHQC-ZWNOBZJWSA-N 2 2 317.227 1.124 10 0 DDAELP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CC[NH+](CCO)CC1 ZINC000043252738 183347277 /nfs/dbraw/zinc/34/72/77/183347277.db2.gz QWQORGXUZAJWAA-FZMZJTMJSA-N 2 2 317.886 1.790 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)CCOC)OCCO2 ZINC000043968791 183391363 /nfs/dbraw/zinc/39/13/63/183391363.db2.gz ISYSBSMUXIZMFT-CABCVRRESA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)CCOC)OCCO2 ZINC000043968791 183391364 /nfs/dbraw/zinc/39/13/64/183391364.db2.gz ISYSBSMUXIZMFT-CABCVRRESA-N 2 2 300.443 1.619 10 0 DDAELP CC[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000105912692 194168212 /nfs/dbraw/zinc/16/82/12/194168212.db2.gz JYGBOGWCOXACFN-NVXWUHKLSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000105912692 194168214 /nfs/dbraw/zinc/16/82/14/194168214.db2.gz JYGBOGWCOXACFN-NVXWUHKLSA-N 2 2 316.449 1.920 10 0 DDAELP CCOc1c(CN2CC[NH+](CCC[NH3+])CC2)cccc1OC ZINC000066143202 184392909 /nfs/dbraw/zinc/39/29/09/184392909.db2.gz QUDYCLKPENIZPI-UHFFFAOYSA-N 2 2 307.438 1.560 10 0 DDAELP CCOc1c(C[NH+]2CCN(CCC[NH3+])CC2)cccc1OC ZINC000066143202 184392910 /nfs/dbraw/zinc/39/29/10/184392910.db2.gz QUDYCLKPENIZPI-UHFFFAOYSA-N 2 2 307.438 1.560 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261953353 407687320 /nfs/dbraw/zinc/68/73/20/407687320.db2.gz OQGNYXRRXOYQBR-ARFHVFGLSA-N 2 2 300.406 1.581 10 0 DDAELP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000262704357 407905580 /nfs/dbraw/zinc/90/55/80/407905580.db2.gz LDIKICPVLAXGTQ-KRWDZBQOSA-N 2 2 321.469 1.199 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C[N@@H+]1C1CC1 ZINC000119332191 408041751 /nfs/dbraw/zinc/04/17/51/408041751.db2.gz JJZXEUBZGDDJMF-KFWWJZLASA-N 2 2 301.438 1.660 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C[N@H+]1C1CC1 ZINC000119332191 408041761 /nfs/dbraw/zinc/04/17/61/408041761.db2.gz JJZXEUBZGDDJMF-KFWWJZLASA-N 2 2 301.438 1.660 10 0 DDAELP CC[N@H+](C)[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263207341 408059010 /nfs/dbraw/zinc/05/90/10/408059010.db2.gz JWZKDLKRAXHRJB-HUUCEWRRSA-N 2 2 315.421 1.687 10 0 DDAELP CC[N@@H+](C)[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263207341 408059015 /nfs/dbraw/zinc/05/90/15/408059015.db2.gz JWZKDLKRAXHRJB-HUUCEWRRSA-N 2 2 315.421 1.687 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000263277533 408087942 /nfs/dbraw/zinc/08/79/42/408087942.db2.gz TUARTZKSRGPDGG-SKDRFNHKSA-N 2 2 303.175 1.258 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000263319196 408107400 /nfs/dbraw/zinc/10/74/00/408107400.db2.gz ZZLVCNWSAHYXEP-OAHLLOKOSA-N 2 2 324.388 1.558 10 0 DDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000246839049 408350971 /nfs/dbraw/zinc/35/09/71/408350971.db2.gz BIOUPKRZXZYHGE-HOTGVXAUSA-N 2 2 312.417 1.962 10 0 DDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000246839049 408350977 /nfs/dbraw/zinc/35/09/77/408350977.db2.gz BIOUPKRZXZYHGE-HOTGVXAUSA-N 2 2 312.417 1.962 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000247060710 408399669 /nfs/dbraw/zinc/39/96/69/408399669.db2.gz PCXAGGXTSUDRPD-CABCVRRESA-N 2 2 305.422 1.969 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)CC1 ZINC000247060710 408399676 /nfs/dbraw/zinc/39/96/76/408399676.db2.gz PCXAGGXTSUDRPD-CABCVRRESA-N 2 2 305.422 1.969 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC000248875226 408650960 /nfs/dbraw/zinc/65/09/60/408650960.db2.gz JCMGONUHHROEOZ-QZTJIDSGSA-N 2 2 323.481 1.406 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC000248875226 408650965 /nfs/dbraw/zinc/65/09/65/408650965.db2.gz JCMGONUHHROEOZ-QZTJIDSGSA-N 2 2 323.481 1.406 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162995480 408752240 /nfs/dbraw/zinc/75/22/40/408752240.db2.gz SZVHRQBOUNAXNL-LSDHHAIUSA-N 2 2 321.469 1.795 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000162995480 408752245 /nfs/dbraw/zinc/75/22/45/408752245.db2.gz SZVHRQBOUNAXNL-LSDHHAIUSA-N 2 2 321.469 1.795 10 0 DDAELP CCN(C)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000190855448 163160736 /nfs/dbraw/zinc/16/07/36/163160736.db2.gz LVDDFFOSUSXSLN-INIZCTEOSA-N 2 2 306.454 1.474 10 0 DDAELP C[NH+](C)C[C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)CCO1 ZINC000132296055 196242851 /nfs/dbraw/zinc/24/28/51/196242851.db2.gz DZOBRSGMZRURTB-KRWDZBQOSA-N 2 2 314.433 1.694 10 0 DDAELP Cc1nc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000302116607 282012154 /nfs/dbraw/zinc/01/21/54/282012154.db2.gz WJKUISQGBCANLG-GUYCJALGSA-N 2 2 316.449 1.821 10 0 DDAELP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262433277 298157623 /nfs/dbraw/zinc/15/76/23/298157623.db2.gz UAURGXPQAQVYAL-YOEHRIQHSA-N 2 2 317.433 1.032 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991894 308207604 /nfs/dbraw/zinc/20/76/04/308207604.db2.gz AXQMOEMXMBAKOB-QXAKKESOSA-N 3 2 317.477 1.601 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991894 308207606 /nfs/dbraw/zinc/20/76/06/308207606.db2.gz AXQMOEMXMBAKOB-QXAKKESOSA-N 3 2 317.477 1.601 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000261881220 484258644 /nfs/dbraw/zinc/25/86/44/484258644.db2.gz ZDUYWJMEKPNLFT-NXEZZACHSA-N 2 2 304.316 1.437 10 0 DDAELP C[C@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000157482579 524381112 /nfs/dbraw/zinc/38/11/12/524381112.db2.gz ORLRUCRRNOVFEL-JKSUJKDBSA-N 2 2 323.481 1.620 10 0 DDAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000262374041 698466734 /nfs/dbraw/zinc/46/67/34/698466734.db2.gz XROKOLIJASWZCJ-UMVBOHGHSA-N 2 2 306.406 1.875 10 0 DDAELP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263025969 698488247 /nfs/dbraw/zinc/48/82/47/698488247.db2.gz RKLUAQKQYMQANX-CQSZACIVSA-N 2 2 324.375 1.411 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616663083 362773204 /nfs/dbraw/zinc/77/32/04/362773204.db2.gz IMLNYWWQOKUIEP-CYBMUJFWSA-N 2 2 310.398 1.281 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616663083 362773212 /nfs/dbraw/zinc/77/32/12/362773212.db2.gz IMLNYWWQOKUIEP-CYBMUJFWSA-N 2 2 310.398 1.281 10 0 DDAELP c1cn(-c2ccccc2CNc2ncnc3c2CC[NH2+]CC3)c[nH+]1 ZINC000072481281 191181717 /nfs/dbraw/zinc/18/17/17/191181717.db2.gz ZPLNOYDQYCTHJO-UHFFFAOYSA-N 2 2 320.400 1.963 10 0 DDAELP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]([NH3+])CCSC)c1C ZINC000182100535 199386182 /nfs/dbraw/zinc/38/61/82/199386182.db2.gz OBUOZDUQAMILCI-LBPRGKRZSA-N 2 2 311.451 1.746 10 0 DDAELP OCC[NH+]1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000399031636 354656725 /nfs/dbraw/zinc/65/67/25/354656725.db2.gz LZWXLQFJCCVHRL-UHFFFAOYSA-N 2 2 313.239 1.995 10 0 DDAELP C[C@@H](C[NH3+])C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586153 192297242 /nfs/dbraw/zinc/29/72/42/192297242.db2.gz MVARVDCOHBSNEY-JTQLQIEISA-N 2 2 303.332 1.212 10 0 DDAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3[nH+]ccn32)CC1 ZINC000180093927 199116310 /nfs/dbraw/zinc/11/63/10/199116310.db2.gz MEQDGSNISVNTMM-OAHLLOKOSA-N 3 2 316.449 1.859 10 0 DDAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3[nH+]ccn32)CC1 ZINC000180093927 199116312 /nfs/dbraw/zinc/11/63/12/199116312.db2.gz MEQDGSNISVNTMM-OAHLLOKOSA-N 3 2 316.449 1.859 10 0 DDAELP CCNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655239 199191191 /nfs/dbraw/zinc/19/11/91/199191191.db2.gz SZKIHVOEQSHEEY-GFCCVEGCSA-N 2 2 315.377 1.369 10 0 DDAELP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1N1CCOCC1 ZINC000180654888 199191938 /nfs/dbraw/zinc/19/19/38/199191938.db2.gz DRZOJKGJCKRBJD-ZBFHGGJFSA-N 2 2 300.406 1.487 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1N1CCOCC1 ZINC000180654888 199191940 /nfs/dbraw/zinc/19/19/40/199191940.db2.gz DRZOJKGJCKRBJD-ZBFHGGJFSA-N 2 2 300.406 1.487 10 0 DDAELP C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[N@H+](C)CCN1C ZINC000094257037 193355727 /nfs/dbraw/zinc/35/57/27/193355727.db2.gz GGMBTZGMPLWENA-CHWSQXEVSA-N 2 2 310.511 1.817 10 0 DDAELP C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[N@@H+](C)CCN1C ZINC000094257037 193355728 /nfs/dbraw/zinc/35/57/28/193355728.db2.gz GGMBTZGMPLWENA-CHWSQXEVSA-N 2 2 310.511 1.817 10 0 DDAELP CCC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094633983 193385633 /nfs/dbraw/zinc/38/56/33/193385633.db2.gz AHDTVTAFEZKPOH-LSDHHAIUSA-N 2 2 302.484 1.806 10 0 DDAELP C[N@H+](CC(=O)Nc1cc(Cl)ccc1N)C1CC[NH+](C)CC1 ZINC000020561160 182232327 /nfs/dbraw/zinc/23/23/27/182232327.db2.gz JNVVSKAOXGVCFJ-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)C1CC[NH+](C)CC1 ZINC000020561160 182232329 /nfs/dbraw/zinc/23/23/29/182232329.db2.gz JNVVSKAOXGVCFJ-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(NCc3ccccc3)c2N)CC1 ZINC000040709257 183120662 /nfs/dbraw/zinc/12/06/62/183120662.db2.gz BTYQDYYFORZOMO-UHFFFAOYSA-N 2 2 313.409 1.245 10 0 DDAELP Cc1csc2nc(C[N@H+]3[C@@H]4CC[C@H]3CC([NH3+])C4)cc(=O)n12 ZINC000040750113 183128692 /nfs/dbraw/zinc/12/86/92/183128692.db2.gz AXNRUXIXAFKOJW-VGPLMAKISA-N 2 2 304.419 1.519 10 0 DDAELP Cc1csc2nc(C[N@@H+]3[C@@H]4CC[C@H]3CC([NH3+])C4)cc(=O)n12 ZINC000040750113 183128693 /nfs/dbraw/zinc/12/86/93/183128693.db2.gz AXNRUXIXAFKOJW-VGPLMAKISA-N 2 2 304.419 1.519 10 0 DDAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096403 184205812 /nfs/dbraw/zinc/20/58/12/184205812.db2.gz IWZORHFNPFTHBL-CABCVRRESA-N 2 2 317.499 1.122 10 0 DDAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062977897 184264542 /nfs/dbraw/zinc/26/45/42/184264542.db2.gz YYSONKKUZANPPT-IJEWVQPXSA-N 2 2 309.479 1.851 10 0 DDAELP O=C(NCCc1nccs1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000063135078 184272715 /nfs/dbraw/zinc/27/27/15/184272715.db2.gz CBGWEHIQAYKCSW-CYBMUJFWSA-N 2 2 308.451 1.018 10 0 DDAELP O=C(NCCc1nccs1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000063135078 184272716 /nfs/dbraw/zinc/27/27/16/184272716.db2.gz CBGWEHIQAYKCSW-CYBMUJFWSA-N 2 2 308.451 1.018 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000178746771 407581012 /nfs/dbraw/zinc/58/10/12/407581012.db2.gz DLEMRVXRTRMHGW-MRXNPFEDSA-N 2 2 323.400 1.864 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000178746771 407581015 /nfs/dbraw/zinc/58/10/15/407581015.db2.gz DLEMRVXRTRMHGW-MRXNPFEDSA-N 2 2 323.400 1.864 10 0 DDAELP Cc1cccc2[nH+]c(CNC(=O)[C@@H]([NH3+])C3CCOCC3)cn21 ZINC000261743131 407598584 /nfs/dbraw/zinc/59/85/84/407598584.db2.gz KPMMHVPEAIPNRK-HNNXBMFYSA-N 2 2 302.378 1.013 10 0 DDAELP c1cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)nc2s1 ZINC000262013295 407710538 /nfs/dbraw/zinc/71/05/38/407710538.db2.gz VVGVLAQKYMTILM-MGPQQGTHSA-N 2 2 306.435 1.643 10 0 DDAELP Cc1nc([C@H]2CCC[N@H+](Cc3noc(C[NH3+])n3)C2)sc1C ZINC000262181541 407759269 /nfs/dbraw/zinc/75/92/69/407759269.db2.gz IVAWDNDKPPWYKE-NSHDSACASA-N 2 2 307.423 1.981 10 0 DDAELP Cc1nc([C@H]2CCC[N@@H+](Cc3noc(C[NH3+])n3)C2)sc1C ZINC000262181541 407759278 /nfs/dbraw/zinc/75/92/78/407759278.db2.gz IVAWDNDKPPWYKE-NSHDSACASA-N 2 2 307.423 1.981 10 0 DDAELP COC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000262271317 407782532 /nfs/dbraw/zinc/78/25/32/407782532.db2.gz KKJGEASJXOPUIZ-CHWSQXEVSA-N 2 2 322.796 1.253 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000245962760 408108487 /nfs/dbraw/zinc/10/84/87/408108487.db2.gz DPDWPBQVLJJLKO-HZPDHXFCSA-N 2 2 306.454 1.803 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000245962760 408108492 /nfs/dbraw/zinc/10/84/92/408108492.db2.gz DPDWPBQVLJJLKO-HZPDHXFCSA-N 2 2 306.454 1.803 10 0 DDAELP CN(c1cccnn1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182753457 408238729 /nfs/dbraw/zinc/23/87/29/408238729.db2.gz ZJNPELZHEXPJLN-UHFFFAOYSA-N 2 2 300.410 1.664 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183176059 408345567 /nfs/dbraw/zinc/34/55/67/408345567.db2.gz GIQRGXIGKIUCRU-MRXNPFEDSA-N 2 2 303.410 1.488 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183176059 408345572 /nfs/dbraw/zinc/34/55/72/408345572.db2.gz GIQRGXIGKIUCRU-MRXNPFEDSA-N 2 2 303.410 1.488 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173501056 162343781 /nfs/dbraw/zinc/34/37/81/162343781.db2.gz OJBCRTADKOLZNK-OAHLLOKOSA-N 2 2 319.453 1.919 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000173501056 162343783 /nfs/dbraw/zinc/34/37/83/162343783.db2.gz OJBCRTADKOLZNK-OAHLLOKOSA-N 2 2 319.453 1.919 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000178290320 408800736 /nfs/dbraw/zinc/80/07/36/408800736.db2.gz SLDOCQRZSNAMSY-CQSZACIVSA-N 2 2 300.410 1.862 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000178290320 408800739 /nfs/dbraw/zinc/80/07/39/408800739.db2.gz SLDOCQRZSNAMSY-CQSZACIVSA-N 2 2 300.410 1.862 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000178307068 408801564 /nfs/dbraw/zinc/80/15/64/408801564.db2.gz IWBHCDYWAKTQBV-CQSZACIVSA-N 2 2 302.378 1.565 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC000178307068 408801567 /nfs/dbraw/zinc/80/15/67/408801567.db2.gz IWBHCDYWAKTQBV-CQSZACIVSA-N 2 2 302.378 1.565 10 0 DDAELP CC(C)n1ncc2cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cnc21 ZINC000131350330 196161149 /nfs/dbraw/zinc/16/11/49/196161149.db2.gz DFZJQORPFVAJKE-INIZCTEOSA-N 2 2 305.426 1.414 10 0 DDAELP C[C@@H]1[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390723754 418755717 /nfs/dbraw/zinc/75/57/17/418755717.db2.gz PKZHSPYABZKKJY-WBVHZDCISA-N 2 2 304.434 1.781 10 0 DDAELP C[C@@H]1[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390723754 418755719 /nfs/dbraw/zinc/75/57/19/418755719.db2.gz PKZHSPYABZKKJY-WBVHZDCISA-N 2 2 304.434 1.781 10 0 DDAELP C[C@@H]([NH3+])[C@@H]1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261810726 278314386 /nfs/dbraw/zinc/31/43/86/278314386.db2.gz GLNBZUNNDYEQSR-CHWSQXEVSA-N 2 2 308.389 1.989 10 0 DDAELP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404400 526031231 /nfs/dbraw/zinc/03/12/31/526031231.db2.gz LQVYUAYKHJDLQV-CJNGLKHVSA-N 2 2 303.406 1.982 10 0 DDAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404400 526031241 /nfs/dbraw/zinc/03/12/41/526031241.db2.gz LQVYUAYKHJDLQV-CJNGLKHVSA-N 2 2 303.406 1.982 10 0 DDAELP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000229873316 697780322 /nfs/dbraw/zinc/78/03/22/697780322.db2.gz ANDUKEHEVFLGCI-MTIYJEKLSA-N 2 2 313.445 1.844 10 0 DDAELP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@H]1C(C)C ZINC000888097738 709212671 /nfs/dbraw/zinc/21/26/71/709212671.db2.gz NQTPUTZNZFGZNF-QBPKDAKJSA-N 2 2 306.454 1.678 10 0 DDAELP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@H]1C(C)C ZINC000888097738 709212673 /nfs/dbraw/zinc/21/26/73/709212673.db2.gz NQTPUTZNZFGZNF-QBPKDAKJSA-N 2 2 306.454 1.678 10 0 DDAELP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248646878 282096090 /nfs/dbraw/zinc/09/60/90/282096090.db2.gz HXDCVDMRVHZGGQ-ZBFHGGJFSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248646878 282096093 /nfs/dbraw/zinc/09/60/93/282096093.db2.gz HXDCVDMRVHZGGQ-ZBFHGGJFSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248646878 282096097 /nfs/dbraw/zinc/09/60/97/282096097.db2.gz HXDCVDMRVHZGGQ-ZBFHGGJFSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248646878 282096098 /nfs/dbraw/zinc/09/60/98/282096098.db2.gz HXDCVDMRVHZGGQ-ZBFHGGJFSA-N 2 2 304.438 1.312 10 0 DDAELP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648481 282096340 /nfs/dbraw/zinc/09/63/40/282096340.db2.gz JTJXFVRYONHKAA-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648481 282096344 /nfs/dbraw/zinc/09/63/44/282096344.db2.gz JTJXFVRYONHKAA-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648481 282096353 /nfs/dbraw/zinc/09/63/53/282096353.db2.gz JTJXFVRYONHKAA-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648481 282096358 /nfs/dbraw/zinc/09/63/58/282096358.db2.gz JTJXFVRYONHKAA-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP C[N@@H+]1CCCC[C@@H]1COc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000088165555 185241015 /nfs/dbraw/zinc/24/10/15/185241015.db2.gz QEUNADZMMUVQEM-SNVBAGLBSA-N 2 2 308.773 1.574 10 0 DDAELP C[N@H+]1CCCC[C@@H]1COc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000088165555 185241016 /nfs/dbraw/zinc/24/10/16/185241016.db2.gz QEUNADZMMUVQEM-SNVBAGLBSA-N 2 2 308.773 1.574 10 0 DDAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000183116529 539240913 /nfs/dbraw/zinc/24/09/13/539240913.db2.gz OYUBAPGHJDNYGV-HOCLYGCPSA-N 2 2 321.421 1.081 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000157879554 282256110 /nfs/dbraw/zinc/25/61/10/282256110.db2.gz FHDIHQSNSMKWBK-BZUAXINKSA-N 2 2 311.470 1.367 10 0 DDAELP O=C(OCc1ccccc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000209309244 354308703 /nfs/dbraw/zinc/30/87/03/354308703.db2.gz KOFUXUFGQKILEF-KRWDZBQOSA-N 2 2 317.433 1.940 10 0 DDAELP [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237864590 202374491 /nfs/dbraw/zinc/37/44/91/202374491.db2.gz KFZFXYSDNVIBPY-HOTGVXAUSA-N 2 2 303.406 1.585 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@H]1C[N@H+](CC)CCO1 ZINC000093913897 193327726 /nfs/dbraw/zinc/32/77/26/193327726.db2.gz JIKIZHJSAYTREX-WCQYABFASA-N 2 2 300.834 1.455 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@H]1C[N@@H+](CC)CCO1 ZINC000093913897 193327728 /nfs/dbraw/zinc/32/77/28/193327728.db2.gz JIKIZHJSAYTREX-WCQYABFASA-N 2 2 300.834 1.455 10 0 DDAELP CC[NH2+]Cc1cccc(OCC[N@H+](C)CCS(C)(=O)=O)c1 ZINC000094300848 193358826 /nfs/dbraw/zinc/35/88/26/193358826.db2.gz YMAYNZXKFBJHJL-UHFFFAOYSA-N 2 2 314.451 1.151 10 0 DDAELP CC[NH2+]Cc1cccc(OCC[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000094300848 193358827 /nfs/dbraw/zinc/35/88/27/193358827.db2.gz YMAYNZXKFBJHJL-UHFFFAOYSA-N 2 2 314.451 1.151 10 0 DDAELP C[C@H]([NH3+])Cc1cc(F)c(OC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000094350141 193363283 /nfs/dbraw/zinc/36/32/83/193363283.db2.gz WWLQTYVZTLKPOX-CMPLNLGQSA-N 2 2 300.349 1.564 10 0 DDAELP C[C@H]([NH3+])Cc1cc(F)c(OC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000094350141 193363285 /nfs/dbraw/zinc/36/32/85/193363285.db2.gz WWLQTYVZTLKPOX-CMPLNLGQSA-N 2 2 300.349 1.564 10 0 DDAELP [NH3+]Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000094445202 193371403 /nfs/dbraw/zinc/37/14/03/193371403.db2.gz MMJTXGAQBFAXFX-LLVKDONJSA-N 2 2 315.464 1.066 10 0 DDAELP [NH3+]Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000094445202 193371405 /nfs/dbraw/zinc/37/14/05/193371405.db2.gz MMJTXGAQBFAXFX-LLVKDONJSA-N 2 2 315.464 1.066 10 0 DDAELP Cc1cnn(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119368227 248260262 /nfs/dbraw/zinc/26/02/62/248260262.db2.gz RECHOLJISIULEV-UHFFFAOYSA-N 2 2 320.360 1.828 10 0 DDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105125955 194075772 /nfs/dbraw/zinc/07/57/72/194075772.db2.gz OXULFMSTKAZYBY-OAHLLOKOSA-N 2 2 317.437 1.527 10 0 DDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105125955 194075775 /nfs/dbraw/zinc/07/57/75/194075775.db2.gz OXULFMSTKAZYBY-OAHLLOKOSA-N 2 2 317.437 1.527 10 0 DDAELP CCC[C@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082109 184204853 /nfs/dbraw/zinc/20/48/53/184204853.db2.gz CIWZWOIRUPLZNQ-RRFJBIMHSA-N 2 2 317.499 1.107 10 0 DDAELP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000070576009 406820392 /nfs/dbraw/zinc/82/03/92/406820392.db2.gz ZAZKPOXUAHXASP-CABCVRRESA-N 2 2 307.463 1.910 10 0 DDAELP Cc1cnn(C[C@@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000122673301 407307897 /nfs/dbraw/zinc/30/78/97/407307897.db2.gz CVPJNNACQFDXNS-KRWDZBQOSA-N 2 2 317.437 1.878 10 0 DDAELP Cc1cnn(C[C@@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000122673301 407307899 /nfs/dbraw/zinc/30/78/99/407307899.db2.gz CVPJNNACQFDXNS-KRWDZBQOSA-N 2 2 317.437 1.878 10 0 DDAELP C[NH+](C)[C@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000170829330 407521758 /nfs/dbraw/zinc/52/17/58/407521758.db2.gz ACVYLNSJYOGBCD-AWEZNQCLSA-N 2 2 314.393 1.113 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000261580017 407544242 /nfs/dbraw/zinc/54/42/42/407544242.db2.gz PWOWOQIJUXBUGY-DCAQKATOSA-N 2 2 313.243 1.660 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Br ZINC000261580017 407544247 /nfs/dbraw/zinc/54/42/47/407544247.db2.gz PWOWOQIJUXBUGY-DCAQKATOSA-N 2 2 313.243 1.660 10 0 DDAELP C[C@H]([NH3+])[C@H]1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261810736 407623229 /nfs/dbraw/zinc/62/32/29/407623229.db2.gz GLNBZUNNDYEQSR-STQMWFEESA-N 2 2 308.389 1.989 10 0 DDAELP CC[N@H+](Cc1noc(C[NH3+])n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000261725238 407592698 /nfs/dbraw/zinc/59/26/98/407592698.db2.gz LNQJNTRHDOWDOW-LBPRGKRZSA-N 2 2 304.394 1.990 10 0 DDAELP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261915746 407668541 /nfs/dbraw/zinc/66/85/41/407668541.db2.gz JPAGLCZDCQJDQE-BRWVUGGUSA-N 2 2 314.433 1.889 10 0 DDAELP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261915738 407669752 /nfs/dbraw/zinc/66/97/52/407669752.db2.gz JPAGLCZDCQJDQE-BBWFWOEESA-N 2 2 314.433 1.889 10 0 DDAELP C[N@H+](CC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171828741 407775160 /nfs/dbraw/zinc/77/51/60/407775160.db2.gz XISUKBYSTHGMMH-UHFFFAOYSA-N 2 2 306.454 1.706 10 0 DDAELP C[N@@H+](CC1CCOCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171828741 407775163 /nfs/dbraw/zinc/77/51/63/407775163.db2.gz XISUKBYSTHGMMH-UHFFFAOYSA-N 2 2 306.454 1.706 10 0 DDAELP C[N@H+](CC(=O)NCCc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262547923 407863326 /nfs/dbraw/zinc/86/33/26/407863326.db2.gz RZHIBHXSYWVXMB-INIZCTEOSA-N 2 2 307.413 1.558 10 0 DDAELP C[N@@H+](CC(=O)NCCc1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262547923 407863336 /nfs/dbraw/zinc/86/33/36/407863336.db2.gz RZHIBHXSYWVXMB-INIZCTEOSA-N 2 2 307.413 1.558 10 0 DDAELP Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000183175912 408344155 /nfs/dbraw/zinc/34/41/55/408344155.db2.gz GETOMBSYKNZKPD-INIZCTEOSA-N 2 2 302.426 1.894 10 0 DDAELP Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000183175912 408344161 /nfs/dbraw/zinc/34/41/61/408344161.db2.gz GETOMBSYKNZKPD-INIZCTEOSA-N 2 2 302.426 1.894 10 0 DDAELP C[NH+](C)C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000177143188 408535205 /nfs/dbraw/zinc/53/52/05/408535205.db2.gz HMCLZDYZKQXMMB-OAHLLOKOSA-N 2 2 301.394 1.030 10 0 DDAELP O[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975470 227291061 /nfs/dbraw/zinc/29/10/61/227291061.db2.gz GVAKHYMHXOCEAV-MSOLQXFVSA-N 3 2 303.450 1.355 10 0 DDAELP O[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975470 227291067 /nfs/dbraw/zinc/29/10/67/227291067.db2.gz GVAKHYMHXOCEAV-MSOLQXFVSA-N 3 2 303.450 1.355 10 0 DDAELP Cc1ncc(C[NH+]2CCN(C(=O)C3([NH3+])CCCC3)CC2)s1 ZINC000178883396 484110148 /nfs/dbraw/zinc/11/01/48/484110148.db2.gz XZTRSDMSVILBOE-UHFFFAOYSA-N 2 2 308.451 1.367 10 0 DDAELP CC1CCC([NH+]2CCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)CC1 ZINC000262065512 698453417 /nfs/dbraw/zinc/45/34/17/698453417.db2.gz BDUKSVXMCVOROK-KNIAUWFNSA-N 2 2 309.454 1.086 10 0 DDAELP C[N@@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315876 185175630 /nfs/dbraw/zinc/17/56/30/185175630.db2.gz LXFFNSZEGUUUKD-OAHLLOKOSA-N 2 2 302.422 1.605 10 0 DDAELP C[N@H+]1CCCC[C@@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315876 185175631 /nfs/dbraw/zinc/17/56/31/185175631.db2.gz LXFFNSZEGUUUKD-OAHLLOKOSA-N 2 2 302.422 1.605 10 0 DDAELP Cn1c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nnc1C1CC1 ZINC000328641195 354556982 /nfs/dbraw/zinc/55/69/82/354556982.db2.gz QLJSLYNODXIUGX-GFCCVEGCSA-N 2 2 300.410 1.583 10 0 DDAELP Cn1c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nnc1C1CC1 ZINC000328641195 354556986 /nfs/dbraw/zinc/55/69/86/354556986.db2.gz QLJSLYNODXIUGX-GFCCVEGCSA-N 2 2 300.410 1.583 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](COC)C(C)C)nc[nH+]1 ZINC000180574373 199177516 /nfs/dbraw/zinc/17/75/16/199177516.db2.gz DNIBXDMLSVVDHF-KBPBESRZSA-N 2 2 307.442 1.748 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195249454 201365626 /nfs/dbraw/zinc/36/56/26/201365626.db2.gz KEVDNLZPCLDULB-CHWSQXEVSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195249454 201365629 /nfs/dbraw/zinc/36/56/29/201365629.db2.gz KEVDNLZPCLDULB-CHWSQXEVSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000195249454 201365632 /nfs/dbraw/zinc/36/56/32/201365632.db2.gz KEVDNLZPCLDULB-CHWSQXEVSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000195249454 201365634 /nfs/dbraw/zinc/36/56/34/201365634.db2.gz KEVDNLZPCLDULB-CHWSQXEVSA-N 2 2 308.451 1.094 10 0 DDAELP C[NH2+]Cc1cc(Cl)c(OC[C@H]2C[N@H+](C)CCO2)c(OC)c1 ZINC000092054022 193149650 /nfs/dbraw/zinc/14/96/50/193149650.db2.gz SASMJJFQYFZVFE-GFCCVEGCSA-N 2 2 314.813 1.777 10 0 DDAELP C[NH2+]Cc1cc(Cl)c(OC[C@H]2C[N@@H+](C)CCO2)c(OC)c1 ZINC000092054022 193149652 /nfs/dbraw/zinc/14/96/52/193149652.db2.gz SASMJJFQYFZVFE-GFCCVEGCSA-N 2 2 314.813 1.777 10 0 DDAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697654 193292477 /nfs/dbraw/zinc/29/24/77/193292477.db2.gz WPQKMDLITFQVDR-LSDHHAIUSA-N 2 2 317.499 1.120 10 0 DDAELP CC(C)[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697654 193292479 /nfs/dbraw/zinc/29/24/79/193292479.db2.gz WPQKMDLITFQVDR-LSDHHAIUSA-N 2 2 317.499 1.120 10 0 DDAELP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093926998 193329429 /nfs/dbraw/zinc/32/94/29/193329429.db2.gz QAGNVLXQAVITRA-JSGCOSHPSA-N 2 2 314.861 1.622 10 0 DDAELP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093926998 193329431 /nfs/dbraw/zinc/32/94/31/193329431.db2.gz QAGNVLXQAVITRA-JSGCOSHPSA-N 2 2 314.861 1.622 10 0 DDAELP C[NH2+][C@H](Cc1ccc(Br)cc1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509212 193375762 /nfs/dbraw/zinc/37/57/62/193375762.db2.gz NETRVZUZFWDYKZ-HUUCEWRRSA-N 2 2 324.266 1.579 10 0 DDAELP [NH3+][C@H](Cc1cc(Br)cs1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508087 193376243 /nfs/dbraw/zinc/37/62/43/193376243.db2.gz VDSPKAORXNGHJS-NEPJUHHUSA-N 2 2 316.268 1.380 10 0 DDAELP CC(C)[NH+](CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000047684230 183602272 /nfs/dbraw/zinc/60/22/72/183602272.db2.gz GFQHKXQURRAQMJ-OAHLLOKOSA-N 2 2 314.474 1.125 10 0 DDAELP C[NH+](C)CCN1CC[NH+](Cc2cccc(C(N)=S)c2)CC1 ZINC000061644355 184180152 /nfs/dbraw/zinc/18/01/52/184180152.db2.gz MUSBYPWVGXFMAB-UHFFFAOYSA-N 2 2 306.479 1.000 10 0 DDAELP CCCOc1c(CN2CC[NH+](CCC[NH3+])CC2)cccc1OC ZINC000066143171 184392897 /nfs/dbraw/zinc/39/28/97/184392897.db2.gz BYSCEZVIHUPUDI-UHFFFAOYSA-N 2 2 321.465 1.950 10 0 DDAELP CCCOc1c(C[NH+]2CCN(CCC[NH3+])CC2)cccc1OC ZINC000066143171 184392899 /nfs/dbraw/zinc/39/28/99/184392899.db2.gz BYSCEZVIHUPUDI-UHFFFAOYSA-N 2 2 321.465 1.950 10 0 DDAELP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262393428 407823855 /nfs/dbraw/zinc/82/38/55/407823855.db2.gz BNKYVMXXFCNODW-APHBMKBZSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262393428 407823857 /nfs/dbraw/zinc/82/38/57/407823857.db2.gz BNKYVMXXFCNODW-APHBMKBZSA-N 2 2 303.406 1.693 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262426378 407831051 /nfs/dbraw/zinc/83/10/51/407831051.db2.gz FKXSMCRLVPHDQI-NWANDNLSSA-N 2 2 301.390 1.497 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262426378 407831056 /nfs/dbraw/zinc/83/10/56/407831056.db2.gz FKXSMCRLVPHDQI-NWANDNLSSA-N 2 2 301.390 1.497 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000262540385 407862329 /nfs/dbraw/zinc/86/23/29/407862329.db2.gz QZBRCGCOEVNVQY-CYZMBNFOSA-N 2 2 303.362 1.023 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000262540385 407862331 /nfs/dbraw/zinc/86/23/31/407862331.db2.gz QZBRCGCOEVNVQY-CYZMBNFOSA-N 2 2 303.362 1.023 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000263149410 408039305 /nfs/dbraw/zinc/03/93/05/408039305.db2.gz CZPTTZKMQAHLRD-QPUJVOFHSA-N 2 2 303.175 1.258 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000245962754 408108385 /nfs/dbraw/zinc/10/83/85/408108385.db2.gz DPDWPBQVLJJLKO-CVEARBPZSA-N 2 2 306.454 1.803 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)CN2CCOCC2)C1 ZINC000245962754 408108387 /nfs/dbraw/zinc/10/83/87/408108387.db2.gz DPDWPBQVLJJLKO-CVEARBPZSA-N 2 2 306.454 1.803 10 0 DDAELP C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900430 408132280 /nfs/dbraw/zinc/13/22/80/408132280.db2.gz ZPPJWQYKRDJOAH-YOEHRIQHSA-N 2 2 311.389 1.781 10 0 DDAELP C[C@@H]([NH2+]Cc1nc(N)nc(N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909210 408134330 /nfs/dbraw/zinc/13/43/30/408134330.db2.gz KJIZWKBBWNQXHJ-SNVBAGLBSA-N 2 2 310.365 1.073 10 0 DDAELP Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000183175894 408344652 /nfs/dbraw/zinc/34/46/52/408344652.db2.gz GETOMBSYKNZKPD-MRXNPFEDSA-N 2 2 302.426 1.894 10 0 DDAELP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000183175894 408344657 /nfs/dbraw/zinc/34/46/57/408344657.db2.gz GETOMBSYKNZKPD-MRXNPFEDSA-N 2 2 302.426 1.894 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000173698417 162358620 /nfs/dbraw/zinc/35/86/20/162358620.db2.gz KDXIJRAJFYXENJ-INIZCTEOSA-N 2 2 306.454 1.805 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000173698417 162358622 /nfs/dbraw/zinc/35/86/22/162358622.db2.gz KDXIJRAJFYXENJ-INIZCTEOSA-N 2 2 306.454 1.805 10 0 DDAELP CC[NH+](CC)[C@H](C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000178338810 408807918 /nfs/dbraw/zinc/80/79/18/408807918.db2.gz HUSKSWLORIJKRD-ZIAGYGMSSA-N 2 2 307.442 1.580 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247274516 277224541 /nfs/dbraw/zinc/22/45/41/277224541.db2.gz ZTTKHTZUZSEDLS-FZKCQIBNSA-N 2 2 311.470 1.427 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247274516 277224542 /nfs/dbraw/zinc/22/45/42/277224542.db2.gz ZTTKHTZUZSEDLS-FZKCQIBNSA-N 2 2 311.470 1.427 10 0 DDAELP COCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247274516 277224543 /nfs/dbraw/zinc/22/45/43/277224543.db2.gz ZTTKHTZUZSEDLS-FZKCQIBNSA-N 2 2 311.470 1.427 10 0 DDAELP COCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000247274516 277224545 /nfs/dbraw/zinc/22/45/45/277224545.db2.gz ZTTKHTZUZSEDLS-FZKCQIBNSA-N 2 2 311.470 1.427 10 0 DDAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000392971297 307294789 /nfs/dbraw/zinc/29/47/89/307294789.db2.gz MSNRGCIPVHKIBV-XIRDDKMYSA-N 2 2 301.434 1.908 10 0 DDAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000392971297 307294790 /nfs/dbraw/zinc/29/47/90/307294790.db2.gz MSNRGCIPVHKIBV-XIRDDKMYSA-N 2 2 301.434 1.908 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000663372726 484835821 /nfs/dbraw/zinc/83/58/21/484835821.db2.gz PIFCAOYSULYGDS-ZWKOTPCHSA-N 2 2 319.493 1.799 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000663372726 484835825 /nfs/dbraw/zinc/83/58/25/484835825.db2.gz PIFCAOYSULYGDS-ZWKOTPCHSA-N 2 2 319.493 1.799 10 0 DDAELP Cn1nccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041420 708687422 /nfs/dbraw/zinc/68/74/22/708687422.db2.gz SFONRIJXYPRZER-QGZVFWFLSA-N 2 2 315.421 1.530 10 0 DDAELP Cn1nccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886041420 708687424 /nfs/dbraw/zinc/68/74/24/708687424.db2.gz SFONRIJXYPRZER-QGZVFWFLSA-N 2 2 315.421 1.530 10 0 DDAELP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250179 539263276 /nfs/dbraw/zinc/26/32/76/539263276.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250179 539263279 /nfs/dbraw/zinc/26/32/79/539263279.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250179 539263281 /nfs/dbraw/zinc/26/32/81/539263281.db2.gz YTYXNGNWWHIPDR-OLZOCXBDSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090332637 185291676 /nfs/dbraw/zinc/29/16/76/185291676.db2.gz RQNUFCNGVWGWQM-KGYLQXTDSA-N 2 2 304.419 1.186 10 0 DDAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090332637 185291677 /nfs/dbraw/zinc/29/16/77/185291677.db2.gz RQNUFCNGVWGWQM-KGYLQXTDSA-N 2 2 304.419 1.186 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+]1CCOCC1 ZINC000193568156 282257166 /nfs/dbraw/zinc/25/71/66/282257166.db2.gz KLOZEWNGGMBKCN-VNQPRFMTSA-N 2 2 311.470 1.380 10 0 DDAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)c1cccc2[nH+]ccn21 ZINC000328634554 354555037 /nfs/dbraw/zinc/55/50/37/354555037.db2.gz UDZCWCBAEBKISG-CYBMUJFWSA-N 2 2 309.373 1.865 10 0 DDAELP C[N@H+](CCn1cc[nH+]c1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328642046 354557357 /nfs/dbraw/zinc/55/73/57/354557357.db2.gz QUGXZRXVDSUOML-HOTGVXAUSA-N 2 2 318.400 1.218 10 0 DDAELP C[N@@H+](CCn1cc[nH+]c1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 ZINC000328642046 354557359 /nfs/dbraw/zinc/55/73/59/354557359.db2.gz QUGXZRXVDSUOML-HOTGVXAUSA-N 2 2 318.400 1.218 10 0 DDAELP CO[C@H](C)c1noc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655629 354559909 /nfs/dbraw/zinc/55/99/09/354559909.db2.gz YONGBUTWLDCBBQ-VXGBXAGGSA-N 2 2 305.382 1.668 10 0 DDAELP CO[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655629 354559915 /nfs/dbraw/zinc/55/99/15/354559915.db2.gz YONGBUTWLDCBBQ-VXGBXAGGSA-N 2 2 305.382 1.668 10 0 DDAELP COCc1noc([C@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624576 354549201 /nfs/dbraw/zinc/54/92/01/354549201.db2.gz CNRIPGLJPPNKBE-NWDGAFQWSA-N 2 2 305.382 1.668 10 0 DDAELP COCc1noc([C@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624576 354549207 /nfs/dbraw/zinc/54/92/07/354549207.db2.gz CNRIPGLJPPNKBE-NWDGAFQWSA-N 2 2 305.382 1.668 10 0 DDAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000195188432 201356560 /nfs/dbraw/zinc/35/65/60/201356560.db2.gz NCDKZZWHXPNIIU-HNNXBMFYSA-N 2 2 303.406 1.457 10 0 DDAELP C[C@]1([NH2+]C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCS(=O)(=O)C1 ZINC000091362667 193046767 /nfs/dbraw/zinc/04/67/67/193046767.db2.gz YTYMGVFUMUBDNL-AJNGGQMLSA-N 2 2 300.468 1.464 10 0 DDAELP C[C@@H]([NH3+])c1nc(-c2nc([C@@H]3C[N@H+](C)CCN3C)no2)cs1 ZINC000093892791 193324332 /nfs/dbraw/zinc/32/43/32/193324332.db2.gz PAWGHKHUTOLLOY-SCZZXKLOSA-N 2 2 308.411 1.131 10 0 DDAELP C[C@@H]([NH3+])c1nc(-c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)cs1 ZINC000093892791 193324334 /nfs/dbraw/zinc/32/43/34/193324334.db2.gz PAWGHKHUTOLLOY-SCZZXKLOSA-N 2 2 308.411 1.131 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Cc1cc(CC(=O)N2C[C@@H](C)[N@@H+](CCC[NH+](C)C)[C@@H](C)C2)no1 ZINC000062454828 184237241 /nfs/dbraw/zinc/23/72/41/184237241.db2.gz AHEHYZRZPMYBKS-OKILXGFUSA-N 2 2 322.453 1.398 10 0 DDAELP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062977898 184264549 /nfs/dbraw/zinc/26/45/49/184264549.db2.gz YYSONKKUZANPPT-YCPHGPKFSA-N 2 2 309.479 1.851 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000108867974 407391722 /nfs/dbraw/zinc/39/17/22/407391722.db2.gz DNCGFZHVGQECCJ-HNNXBMFYSA-N 2 2 304.438 1.999 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000108867974 407391723 /nfs/dbraw/zinc/39/17/23/407391723.db2.gz DNCGFZHVGQECCJ-HNNXBMFYSA-N 2 2 304.438 1.999 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000263235385 408071286 /nfs/dbraw/zinc/07/12/86/408071286.db2.gz NZUKSDQCKAIAFG-ZDUSSCGKSA-N 2 2 301.381 1.318 10 0 DDAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(Cl)c1OC ZINC000263319141 408104174 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1.749 10 0 DDAELP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1C[C@@H](C)O ZINC000161671639 408626684 /nfs/dbraw/zinc/62/66/84/408626684.db2.gz AHLZGPZLIJIJOR-NVXWUHKLSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1C[C@@H](C)O ZINC000161671639 408626687 /nfs/dbraw/zinc/62/66/87/408626687.db2.gz AHLZGPZLIJIJOR-NVXWUHKLSA-N 2 2 308.470 1.749 10 0 DDAELP C[C@@H]1CN(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000249082390 408686210 /nfs/dbraw/zinc/68/62/10/408686210.db2.gz SQKUGVIIEHUUMI-CVEARBPZSA-N 2 2 304.438 1.536 10 0 DDAELP C[C@@H]1CN(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000249082390 408686213 /nfs/dbraw/zinc/68/62/13/408686213.db2.gz SQKUGVIIEHUUMI-CVEARBPZSA-N 2 2 304.438 1.536 10 0 DDAELP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)[N@H+](C)C1 ZINC000344187705 411017064 /nfs/dbraw/zinc/01/70/64/411017064.db2.gz NCXNYDDUPFZNSH-HOCLYGCPSA-N 2 2 314.389 1.208 10 0 DDAELP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)[N@@H+](C)C1 ZINC000344187705 411017070 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CCOCC[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1CC ZINC000168081943 484088381 /nfs/dbraw/zinc/08/83/81/484088381.db2.gz CRSZIUAUCOLUFL-CYBMUJFWSA-N 2 2 309.410 1.311 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1CC ZINC000168081943 484088390 /nfs/dbraw/zinc/08/83/90/484088390.db2.gz CRSZIUAUCOLUFL-CYBMUJFWSA-N 2 2 309.410 1.311 10 0 DDAELP COc1cc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000262069829 484261114 /nfs/dbraw/zinc/26/11/14/484261114.db2.gz CBWQSGRKLQNPEF-BXKDBHETSA-N 2 2 305.205 1.672 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973372 533892269 /nfs/dbraw/zinc/89/22/69/533892269.db2.gz BVQVXXDVTKRSHO-SZMVWBNQSA-N 3 2 303.450 1.211 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973372 533892274 /nfs/dbraw/zinc/89/22/74/533892274.db2.gz BVQVXXDVTKRSHO-SZMVWBNQSA-N 3 2 303.450 1.211 10 0 DDAELP CCCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261620071 698429481 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C[N@@H+](Cc1ccc(Br)cc1)[C@H](C[NH3+])CC(N)=O ZINC000091314714 193037793 /nfs/dbraw/zinc/03/77/93/193037793.db2.gz PPBUMDVMFHPAQE-NSHDSACASA-N 2 2 300.200 1.084 10 0 DDAELP C[NH+](C)[C@@H]1CCCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000091430250 193054791 /nfs/dbraw/zinc/05/47/91/193054791.db2.gz ARHYDHARDLFGKV-SNVBAGLBSA-N 2 2 307.789 1.241 10 0 DDAELP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000091512058 193067481 /nfs/dbraw/zinc/06/74/81/193067481.db2.gz NQHCTVIOFALASR-HZPDHXFCSA-N 2 2 304.438 1.536 10 0 DDAELP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000091512058 193067483 /nfs/dbraw/zinc/06/74/83/193067483.db2.gz NQHCTVIOFALASR-HZPDHXFCSA-N 2 2 304.438 1.536 10 0 DDAELP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927000 193329769 /nfs/dbraw/zinc/32/97/69/193329769.db2.gz QAGNVLXQAVITRA-OCCSQVGLSA-N 2 2 314.861 1.622 10 0 DDAELP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093927000 193329770 /nfs/dbraw/zinc/32/97/70/193329770.db2.gz QAGNVLXQAVITRA-OCCSQVGLSA-N 2 2 314.861 1.622 10 0 DDAELP C[C@H]1SCCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000094478714 193373060 /nfs/dbraw/zinc/37/30/60/193373060.db2.gz QAMPGWZGOYHEBX-ZBFHGGJFSA-N 2 2 306.479 1.817 10 0 DDAELP [NH3+][C@H](Cc1c(Cl)cccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094508203 193375648 /nfs/dbraw/zinc/37/56/48/193375648.db2.gz MNZCYJVBZMLZFO-ZIAGYGMSSA-N 2 2 300.233 1.863 10 0 DDAELP C[NH+](C)C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1F ZINC000041069399 183162340 /nfs/dbraw/zinc/16/23/40/183162340.db2.gz WFQLMHJKKCOQGA-NSHDSACASA-N 2 2 305.191 1.600 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@@H+]1C[C@@H](C)O ZINC000120734162 195226305 /nfs/dbraw/zinc/22/63/05/195226305.db2.gz VJDRNJUXYFCMQR-CVEARBPZSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@H+]1C[C@@H](C)O ZINC000120734162 195226306 /nfs/dbraw/zinc/22/63/06/195226306.db2.gz VJDRNJUXYFCMQR-CVEARBPZSA-N 2 2 316.449 1.920 10 0 DDAELP CC[NH+](CC)C[C@@H]1CN(CC(=O)N2CCCC2)Cc2c[nH+]cn21 ZINC000248258939 257106795 /nfs/dbraw/zinc/10/67/95/257106795.db2.gz PRPWZMXRDVYRNY-MRXNPFEDSA-N 2 2 319.453 1.204 10 0 DDAELP Nc1c(Br)cc(Br)cc1[C@H]([NH3+])C[NH3+] ZINC000044470287 407024080 /nfs/dbraw/zinc/02/40/80/407024080.db2.gz JOEDYEITGMMYOI-SSDOTTSWSA-N 2 2 309.005 1.752 10 0 DDAELP CCn1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000112098959 407421184 /nfs/dbraw/zinc/42/11/84/407421184.db2.gz UGUUQANAVFFJND-CQSZACIVSA-N 2 2 315.425 1.493 10 0 DDAELP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261972498 407699311 /nfs/dbraw/zinc/69/93/11/407699311.db2.gz BOIMKJZNKOSJLK-SECBINFHSA-N 2 2 316.377 1.546 10 0 DDAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000262014599 407712567 /nfs/dbraw/zinc/71/25/67/407712567.db2.gz VVIULVNFSFEXFZ-ZACQAIPSSA-N 3 2 309.498 1.998 10 0 DDAELP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263219869 408061442 /nfs/dbraw/zinc/06/14/42/408061442.db2.gz LQHZRZOTSULGRU-SKDRFNHKSA-N 2 2 305.205 1.672 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000263272199 408084167 /nfs/dbraw/zinc/08/41/67/408084167.db2.gz SIQPFEVDJPDGHD-KGLIPLIRSA-N 2 2 301.394 1.297 10 0 DDAELP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121352387 408190928 /nfs/dbraw/zinc/19/09/28/408190928.db2.gz OTNHWVOZIUNYMS-CVEARBPZSA-N 2 2 323.481 1.430 10 0 DDAELP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121352387 408190936 /nfs/dbraw/zinc/19/09/36/408190936.db2.gz OTNHWVOZIUNYMS-CVEARBPZSA-N 2 2 323.481 1.430 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@@H]1C ZINC000246984637 408381245 /nfs/dbraw/zinc/38/12/45/408381245.db2.gz FSFBVYZCDWDFST-HOTGVXAUSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC000246984637 408381250 /nfs/dbraw/zinc/38/12/50/408381250.db2.gz FSFBVYZCDWDFST-HOTGVXAUSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC000246984637 408381254 /nfs/dbraw/zinc/38/12/54/408381254.db2.gz FSFBVYZCDWDFST-HOTGVXAUSA-N 2 2 311.470 1.430 10 0 DDAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177394959 408600755 /nfs/dbraw/zinc/60/07/55/408600755.db2.gz NPVHADPMRQMJOJ-HUUCEWRRSA-N 2 2 307.442 1.787 10 0 DDAELP Cc1noc([C@H](C)N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162972315 408749419 /nfs/dbraw/zinc/74/94/19/408749419.db2.gz MIFJJAIHCMQQJE-DZGCQCFKSA-N 2 2 307.442 1.541 10 0 DDAELP Cc1noc([C@H](C)N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000162972315 408749421 /nfs/dbraw/zinc/74/94/21/408749421.db2.gz MIFJJAIHCMQQJE-DZGCQCFKSA-N 2 2 307.442 1.541 10 0 DDAELP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583616584 422197332 /nfs/dbraw/zinc/19/73/32/422197332.db2.gz OTDNRCFKVRVDKZ-WMLDXEAASA-N 2 2 316.453 1.809 10 0 DDAELP CCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583616584 422197338 /nfs/dbraw/zinc/19/73/38/422197338.db2.gz OTDNRCFKVRVDKZ-WMLDXEAASA-N 2 2 316.453 1.809 10 0 DDAELP CCC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[NH+](C)C ZINC000161692634 263344991 /nfs/dbraw/zinc/34/49/91/263344991.db2.gz PQLWPTUOXCXSFK-OAHLLOKOSA-N 2 2 315.421 1.922 10 0 DDAELP C[C@H]1CN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC[C@@H]1[NH3+] ZINC000261837917 279893077 /nfs/dbraw/zinc/89/30/77/279893077.db2.gz YGKGFYJECDRUQV-WFASDCNBSA-N 2 2 308.389 1.989 10 0 DDAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261813191 290242388 /nfs/dbraw/zinc/24/23/88/290242388.db2.gz ZYZCKCDGGJMQLY-WXYCVUISSA-N 2 2 308.447 1.820 10 0 DDAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261813191 290242390 /nfs/dbraw/zinc/24/23/90/290242390.db2.gz ZYZCKCDGGJMQLY-WXYCVUISSA-N 2 2 308.447 1.820 10 0 DDAELP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000054307717 483938739 /nfs/dbraw/zinc/93/87/39/483938739.db2.gz LAXSCAHNRJAFGD-AWEZNQCLSA-N 2 2 307.463 1.782 10 0 DDAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000092568113 484013976 /nfs/dbraw/zinc/01/39/76/484013976.db2.gz SQXLHUPEILYROJ-GPANFISMSA-N 2 2 323.481 1.476 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000248742825 698379580 /nfs/dbraw/zinc/37/95/80/698379580.db2.gz AJYUCRQWBVTMSF-AEFFLSMTSA-N 2 2 319.449 1.430 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000248742825 698379585 /nfs/dbraw/zinc/37/95/85/698379585.db2.gz AJYUCRQWBVTMSF-AEFFLSMTSA-N 2 2 319.449 1.430 10 0 DDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246809638 282249881 /nfs/dbraw/zinc/24/98/81/282249881.db2.gz RUZJMKZMXFTSNA-DLBZAZTESA-N 2 2 323.481 1.430 10 0 DDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246809638 282249884 /nfs/dbraw/zinc/24/98/84/282249884.db2.gz RUZJMKZMXFTSNA-DLBZAZTESA-N 2 2 323.481 1.430 10 0 DDAELP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173978989 295745844 /nfs/dbraw/zinc/74/58/44/295745844.db2.gz GYVRJNKWMGQNDC-JKSUJKDBSA-N 2 2 309.454 1.184 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195259472 201368430 /nfs/dbraw/zinc/36/84/30/201368430.db2.gz WMIBVQMWHRHYEL-ZDUSSCGKSA-N 2 2 322.478 1.484 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195259472 201368433 /nfs/dbraw/zinc/36/84/33/201368433.db2.gz WMIBVQMWHRHYEL-ZDUSSCGKSA-N 2 2 322.478 1.484 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000195259472 201368437 /nfs/dbraw/zinc/36/84/37/201368437.db2.gz WMIBVQMWHRHYEL-ZDUSSCGKSA-N 2 2 322.478 1.484 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000195259472 201368439 /nfs/dbraw/zinc/36/84/39/201368439.db2.gz WMIBVQMWHRHYEL-ZDUSSCGKSA-N 2 2 322.478 1.484 10 0 DDAELP CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264275 201369438 /nfs/dbraw/zinc/36/94/38/201369438.db2.gz YEAZIZHHHBLPCE-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195264275 201369441 /nfs/dbraw/zinc/36/94/41/201369441.db2.gz YEAZIZHHHBLPCE-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP CCNC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195264275 201369444 /nfs/dbraw/zinc/36/94/44/201369444.db2.gz YEAZIZHHHBLPCE-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP CCNC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195264275 201369446 /nfs/dbraw/zinc/36/94/46/201369446.db2.gz YEAZIZHHHBLPCE-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)O1 ZINC000261829525 203128269 /nfs/dbraw/zinc/12/82/69/203128269.db2.gz PWBNUSFLCXAWFW-CABCVRRESA-N 2 2 318.421 1.194 10 0 DDAELP CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@H+](C)CCN1C ZINC000093895494 193325458 /nfs/dbraw/zinc/32/54/58/193325458.db2.gz PPDUEHFAESEPCR-TZMCWYRMSA-N 2 2 313.877 1.148 10 0 DDAELP CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@@H+](C)CCN1C ZINC000093895494 193325459 /nfs/dbraw/zinc/32/54/59/193325459.db2.gz PPDUEHFAESEPCR-TZMCWYRMSA-N 2 2 313.877 1.148 10 0 DDAELP [NH3+]Cc1cccc(-c2csc([C@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000094511573 193376087 /nfs/dbraw/zinc/37/60/87/193376087.db2.gz QEOMPZAKVCWCEL-OAHLLOKOSA-N 2 2 300.431 1.941 10 0 DDAELP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105241788 194088294 /nfs/dbraw/zinc/08/82/94/194088294.db2.gz TXUYWYZNMGBBAX-OAHLLOKOSA-N 2 2 314.474 1.128 10 0 DDAELP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105241788 194088297 /nfs/dbraw/zinc/08/82/97/194088297.db2.gz TXUYWYZNMGBBAX-OAHLLOKOSA-N 2 2 314.474 1.128 10 0 DDAELP CC[C@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062894643 184258828 /nfs/dbraw/zinc/25/88/28/184258828.db2.gz FEGVKSUGJTWGBH-INIZCTEOSA-N 2 2 307.463 1.782 10 0 DDAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261610120 207365035 /nfs/dbraw/zinc/36/50/35/207365035.db2.gz BXKHXGVFVQZFEP-INIZCTEOSA-N 2 2 319.449 1.713 10 0 DDAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261610120 207365038 /nfs/dbraw/zinc/36/50/38/207365038.db2.gz BXKHXGVFVQZFEP-INIZCTEOSA-N 2 2 319.449 1.713 10 0 DDAELP C[NH+](C)C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000043311582 407017551 /nfs/dbraw/zinc/01/75/51/407017551.db2.gz SSICIOUTHUTGAA-OAHLLOKOSA-N 2 2 301.394 1.485 10 0 DDAELP Cc1csc([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093169592 407194614 /nfs/dbraw/zinc/19/46/14/407194614.db2.gz MVTZMHHSQQSWIX-CQSZACIVSA-N 2 2 322.478 1.405 10 0 DDAELP Cc1csc([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093169592 407194616 /nfs/dbraw/zinc/19/46/16/407194616.db2.gz MVTZMHHSQQSWIX-CQSZACIVSA-N 2 2 322.478 1.405 10 0 DDAELP C[N@H+](CCn1cc[nH+]c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000122660669 407308002 /nfs/dbraw/zinc/30/80/02/407308002.db2.gz BKRWXYIVPJUEAD-OAHLLOKOSA-N 2 2 320.462 1.950 10 0 DDAELP C[N@@H+](CCn1cc[nH+]c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000122660669 407308004 /nfs/dbraw/zinc/30/80/04/407308004.db2.gz BKRWXYIVPJUEAD-OAHLLOKOSA-N 2 2 320.462 1.950 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106905592 407365566 /nfs/dbraw/zinc/36/55/66/407365566.db2.gz SLQOYXNGQUKROZ-MSOLQXFVSA-N 2 2 315.461 1.856 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000106905592 407365567 /nfs/dbraw/zinc/36/55/67/407365567.db2.gz SLQOYXNGQUKROZ-MSOLQXFVSA-N 2 2 315.461 1.856 10 0 DDAELP c1cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2s1 ZINC000262013293 407710337 /nfs/dbraw/zinc/71/03/37/407710337.db2.gz VVGVLAQKYMTILM-MCIONIFRSA-N 2 2 306.435 1.643 10 0 DDAELP C[N@H+](C[C@]1(C)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262033386 407716489 /nfs/dbraw/zinc/71/64/89/407716489.db2.gz OGSGOIWTJWDGHV-QGZVFWFLSA-N 3 2 305.470 1.279 10 0 DDAELP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262033386 407716496 /nfs/dbraw/zinc/71/64/96/407716496.db2.gz OGSGOIWTJWDGHV-QGZVFWFLSA-N 3 2 305.470 1.279 10 0 DDAELP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262393431 407823227 /nfs/dbraw/zinc/82/32/27/407823227.db2.gz BNKYVMXXFCNODW-MAZHCROVSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262393431 407823234 /nfs/dbraw/zinc/82/32/34/407823234.db2.gz BNKYVMXXFCNODW-MAZHCROVSA-N 2 2 303.406 1.693 10 0 DDAELP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730541 407910911 /nfs/dbraw/zinc/91/09/11/407910911.db2.gz BMEANIPSGXILJB-CHWSQXEVSA-N 2 2 301.381 1.174 10 0 DDAELP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730541 407910917 /nfs/dbraw/zinc/91/09/17/407910917.db2.gz BMEANIPSGXILJB-CHWSQXEVSA-N 2 2 301.381 1.174 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000263212679 408059487 /nfs/dbraw/zinc/05/94/87/408059487.db2.gz KLOQQYQVALAFLR-CABZTGNLSA-N 2 2 303.175 1.258 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000263226329 408066015 /nfs/dbraw/zinc/06/60/15/408066015.db2.gz MWMFRQIVWJSEID-CQSZACIVSA-N 2 2 310.361 1.498 10 0 DDAELP C[C@@H]1COC[C@@H](C)[NH+]1CCOCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000149688179 408193326 /nfs/dbraw/zinc/19/33/26/408193326.db2.gz AZFJDAIILPPZJN-FPCVCCKLSA-N 2 2 300.443 1.221 10 0 DDAELP C[C@@H]1COC[C@@H](C)[NH+]1CCOCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000149688179 408193329 /nfs/dbraw/zinc/19/33/29/408193329.db2.gz AZFJDAIILPPZJN-FPCVCCKLSA-N 2 2 300.443 1.221 10 0 DDAELP CC(C)N(C)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000190855706 408330451 /nfs/dbraw/zinc/33/04/51/408330451.db2.gz SNRVNHWPOOWVPY-QGZVFWFLSA-N 2 2 320.481 1.863 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000246562116 408292542 /nfs/dbraw/zinc/29/25/42/408292542.db2.gz XFWFQKJQEMOAHT-NJAFHUGGSA-N 2 2 318.465 1.212 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000246562116 408292548 /nfs/dbraw/zinc/29/25/48/408292548.db2.gz XFWFQKJQEMOAHT-NJAFHUGGSA-N 2 2 318.465 1.212 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccnn2C)nc[nH+]1 ZINC000192982760 408680365 /nfs/dbraw/zinc/68/03/65/408680365.db2.gz JIYLXTFCQAKJHT-OLZOCXBDSA-N 2 2 315.425 1.571 10 0 DDAELP COCCc1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000178335883 408806948 /nfs/dbraw/zinc/80/69/48/408806948.db2.gz AULDQUDHVKLIIW-ZDUSSCGKSA-N 2 2 305.382 1.428 10 0 DDAELP COCCc1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000178335883 408806953 /nfs/dbraw/zinc/80/69/53/408806953.db2.gz AULDQUDHVKLIIW-ZDUSSCGKSA-N 2 2 305.382 1.428 10 0 DDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000247017607 490705708 /nfs/dbraw/zinc/70/57/08/490705708.db2.gz LOQADSKVGAXCFC-GZWGPKMKSA-N 2 2 324.490 1.921 10 0 DDAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1C ZINC000702764134 699232301 /nfs/dbraw/zinc/23/23/01/699232301.db2.gz PDZNSEPYIQLYRI-TZMCWYRMSA-N 2 2 324.425 1.046 10 0 DDAELP Cc1ccccc1S(=O)(=O)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000088714807 185262754 /nfs/dbraw/zinc/26/27/54/185262754.db2.gz OUAWGFRSGMRTIG-UHFFFAOYSA-N 2 2 311.451 1.040 10 0 DDAELP Cc1ccccc1S(=O)(=O)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000088714807 185262755 /nfs/dbraw/zinc/26/27/55/185262755.db2.gz OUAWGFRSGMRTIG-UHFFFAOYSA-N 2 2 311.451 1.040 10 0 DDAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cn21 ZINC000171908236 198005837 /nfs/dbraw/zinc/00/58/37/198005837.db2.gz JBWBSIGOHQJZLU-OAHLLOKOSA-N 2 2 313.405 1.632 10 0 DDAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)cn21 ZINC000171908236 198005839 /nfs/dbraw/zinc/00/58/39/198005839.db2.gz JBWBSIGOHQJZLU-OAHLLOKOSA-N 2 2 313.405 1.632 10 0 DDAELP C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)S1 ZINC000262354047 203270432 /nfs/dbraw/zinc/27/04/32/203270432.db2.gz ZJWGENYCIQYZPP-GFCCVEGCSA-N 2 2 318.446 1.394 10 0 DDAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695736 193291097 /nfs/dbraw/zinc/29/10/97/193291097.db2.gz LXPLZIGBGRNJOJ-ILXRZTDVSA-N 2 2 317.499 1.120 10 0 DDAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695736 193291099 /nfs/dbraw/zinc/29/10/99/193291099.db2.gz LXPLZIGBGRNJOJ-ILXRZTDVSA-N 2 2 317.499 1.120 10 0 DDAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696587 193291997 /nfs/dbraw/zinc/29/19/97/193291997.db2.gz APGDCJBJQHLTRB-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP [NH3+][C@@H](Cc1ccccc1Br)[C@H]1C[NH+]2CCN1CC2 ZINC000094508562 193375511 /nfs/dbraw/zinc/37/55/11/193375511.db2.gz LLGFBFUXQALISE-UONOGXRCSA-N 2 2 310.239 1.319 10 0 DDAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000040639152 183113399 /nfs/dbraw/zinc/11/33/99/183113399.db2.gz YYSQBBCEDZYVJD-ZDUSSCGKSA-N 2 2 305.403 1.471 10 0 DDAELP CC(C)COc1ccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000066142952 184393147 /nfs/dbraw/zinc/39/31/47/184393147.db2.gz YAWJMMPBMLKJIO-UHFFFAOYSA-N 2 2 319.449 1.828 10 0 DDAELP Cc1[nH+]cc(CN2CCO[C@H](C[NH+](C)C)C2)n1-c1ccccc1 ZINC000128203705 407511138 /nfs/dbraw/zinc/51/11/38/407511138.db2.gz BEGVEAHMBFQVJP-GOSISDBHSA-N 2 2 314.433 1.943 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1noc(C[NH3+])n1 ZINC000261794774 407620188 /nfs/dbraw/zinc/62/01/88/407620188.db2.gz QJIUYJFUNOJYEJ-CYBMUJFWSA-N 2 2 301.394 1.235 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1noc(C[NH3+])n1 ZINC000261794774 407620194 /nfs/dbraw/zinc/62/01/94/407620194.db2.gz QJIUYJFUNOJYEJ-CYBMUJFWSA-N 2 2 301.394 1.235 10 0 DDAELP [NH3+][C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C1CCOCC1 ZINC000262093877 407737782 /nfs/dbraw/zinc/73/77/82/407737782.db2.gz UPWKBBPMMGTJMG-OAHLLOKOSA-N 2 2 300.362 1.565 10 0 DDAELP [NH3+]Cc1nc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)no1 ZINC000262298456 407788443 /nfs/dbraw/zinc/78/84/43/407788443.db2.gz XARNCOWTCYARGR-UHFFFAOYSA-N 2 2 316.405 1.957 10 0 DDAELP [NH3+]Cc1nc(C[N@H+](Cc2ccccc2)CC2CCOCC2)no1 ZINC000262298456 407788448 /nfs/dbraw/zinc/78/84/48/407788448.db2.gz XARNCOWTCYARGR-UHFFFAOYSA-N 2 2 316.405 1.957 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262541290 407863153 /nfs/dbraw/zinc/86/31/53/407863153.db2.gz RCZGNWUZYDMISV-DRZSPHRISA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262541290 407863163 /nfs/dbraw/zinc/86/31/63/407863163.db2.gz RCZGNWUZYDMISV-DRZSPHRISA-N 2 2 323.824 1.956 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000263122386 408031391 /nfs/dbraw/zinc/03/13/91/408031391.db2.gz BAFJFZPXUNMRHD-CPCISQLKSA-N 2 2 321.165 1.397 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000263122391 408031679 /nfs/dbraw/zinc/03/16/79/408031679.db2.gz BAFJFZPXUNMRHD-WRWORJQWSA-N 2 2 321.165 1.397 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000263272202 408084498 /nfs/dbraw/zinc/08/44/98/408084498.db2.gz SIQPFEVDJPDGHD-ZIAGYGMSSA-N 2 2 301.394 1.297 10 0 DDAELP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000182753283 408238695 /nfs/dbraw/zinc/23/86/95/408238695.db2.gz SIRMACCUZLXLRU-HNNXBMFYSA-N 2 2 300.410 1.664 10 0 DDAELP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000182753283 408238702 /nfs/dbraw/zinc/23/87/02/408238702.db2.gz SIRMACCUZLXLRU-HNNXBMFYSA-N 2 2 300.410 1.664 10 0 DDAELP Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000176755956 408436101 /nfs/dbraw/zinc/43/61/01/408436101.db2.gz JKWNLGOFBBATSX-AWEZNQCLSA-N 2 2 306.410 1.667 10 0 DDAELP O=c1[nH]ccnc1N1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000275390329 408587863 /nfs/dbraw/zinc/58/78/63/408587863.db2.gz BVKWEWZQCIRZRC-CYBMUJFWSA-N 2 2 324.388 1.589 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000161735596 408633660 /nfs/dbraw/zinc/63/36/60/408633660.db2.gz VVCDJTIRRHPLRW-LSDHHAIUSA-N 2 2 320.437 1.015 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000161735596 408633663 /nfs/dbraw/zinc/63/36/63/408633663.db2.gz VVCDJTIRRHPLRW-LSDHHAIUSA-N 2 2 320.437 1.015 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000178318996 408804955 /nfs/dbraw/zinc/80/49/55/408804955.db2.gz YQKWBDQNQSIHBJ-LBPRGKRZSA-N 2 2 318.343 1.677 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000178318996 408804958 /nfs/dbraw/zinc/80/49/58/408804958.db2.gz YQKWBDQNQSIHBJ-LBPRGKRZSA-N 2 2 318.343 1.677 10 0 DDAELP Cc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000261829818 163711516 /nfs/dbraw/zinc/71/15/16/163711516.db2.gz BLVIJMNWAQZFJA-CYBMUJFWSA-N 2 2 305.426 1.200 10 0 DDAELP COC[C@H](O)C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301887529 410822859 /nfs/dbraw/zinc/82/28/59/410822859.db2.gz PLVACWYSWBSLGQ-CYBMUJFWSA-N 2 2 304.394 1.447 10 0 DDAELP COCC[N@@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC000302048188 274031692 /nfs/dbraw/zinc/03/16/92/274031692.db2.gz MEJHUDFZTIBLEU-ZDUSSCGKSA-N 2 2 304.438 1.821 10 0 DDAELP COCC[N@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)C[C@@H]1C ZINC000302048188 274031693 /nfs/dbraw/zinc/03/16/93/274031693.db2.gz MEJHUDFZTIBLEU-ZDUSSCGKSA-N 2 2 304.438 1.821 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000262069716 484261477 /nfs/dbraw/zinc/26/14/77/484261477.db2.gz BYALACVPQJNHQL-UKRRQHHQSA-N 2 2 310.825 1.799 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000309930789 698669071 /nfs/dbraw/zinc/66/90/71/698669071.db2.gz YZZFVXXJCRDPCO-UHOSZYNNSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000309930789 698669073 /nfs/dbraw/zinc/66/90/73/698669073.db2.gz YZZFVXXJCRDPCO-UHOSZYNNSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309930789 698669076 /nfs/dbraw/zinc/66/90/76/698669076.db2.gz YZZFVXXJCRDPCO-UHOSZYNNSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000309930789 698669081 /nfs/dbraw/zinc/66/90/81/698669081.db2.gz YZZFVXXJCRDPCO-UHOSZYNNSA-N 2 2 317.477 1.960 10 0 DDAELP CN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000248652350 282096126 /nfs/dbraw/zinc/09/61/26/282096126.db2.gz NUCUHJKFOPKJEU-HOTGVXAUSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000248652350 282096132 /nfs/dbraw/zinc/09/61/32/282096132.db2.gz NUCUHJKFOPKJEU-HOTGVXAUSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652350 282096137 /nfs/dbraw/zinc/09/61/37/282096137.db2.gz NUCUHJKFOPKJEU-HOTGVXAUSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652350 282096141 /nfs/dbraw/zinc/09/61/41/282096141.db2.gz NUCUHJKFOPKJEU-HOTGVXAUSA-N 2 2 302.422 1.066 10 0 DDAELP CC[NH2+][C@](C)(C[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435319 185250318 /nfs/dbraw/zinc/25/03/18/185250318.db2.gz DSUSTVKEDCHNKK-GMXVVIOVSA-N 2 2 309.376 1.893 10 0 DDAELP CC[NH2+][C@](C)(C[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435319 185250319 /nfs/dbraw/zinc/25/03/19/185250319.db2.gz DSUSTVKEDCHNKK-GMXVVIOVSA-N 2 2 309.376 1.893 10 0 DDAELP CN(C)S(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000088539941 185255714 /nfs/dbraw/zinc/25/57/14/185255714.db2.gz GXJXJLRVKKLNLN-UHFFFAOYSA-N 2 2 315.439 1.105 10 0 DDAELP COCc1noc([C@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624577 354549356 /nfs/dbraw/zinc/54/93/56/354549356.db2.gz CNRIPGLJPPNKBE-RYUDHWBXSA-N 2 2 305.382 1.668 10 0 DDAELP COCc1noc([C@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624577 354549360 /nfs/dbraw/zinc/54/93/60/354549360.db2.gz CNRIPGLJPPNKBE-RYUDHWBXSA-N 2 2 305.382 1.668 10 0 DDAELP C[NH2+][C@H](CCCS(C)(=O)=O)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652873 193085394 /nfs/dbraw/zinc/08/53/94/193085394.db2.gz NHULIWCPWRGFAS-KFWWJZLASA-N 2 2 304.500 1.910 10 0 DDAELP C[N@@H+]1CCO[C@H](COc2ccc(C[NH3+])cc2Br)C1 ZINC000092054468 193149677 /nfs/dbraw/zinc/14/96/77/193149677.db2.gz IQQFCQJVWRDMAS-NSHDSACASA-N 2 2 315.211 1.617 10 0 DDAELP C[N@H+]1CCO[C@H](COc2ccc(C[NH3+])cc2Br)C1 ZINC000092054468 193149679 /nfs/dbraw/zinc/14/96/79/193149679.db2.gz IQQFCQJVWRDMAS-NSHDSACASA-N 2 2 315.211 1.617 10 0 DDAELP C[C@@](O)(C[NH3+])Cc1[nH]c2cc(Br)c(F)cc2[nH+]1 ZINC000093728731 193296238 /nfs/dbraw/zinc/29/62/38/193296238.db2.gz RWXWNSUUYACONL-NSHDSACASA-N 2 2 302.147 1.717 10 0 DDAELP COCC[NH2+][C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000053255753 183896017 /nfs/dbraw/zinc/89/60/17/183896017.db2.gz UQFUIKWYUZILQG-NSHDSACASA-N 2 2 303.200 1.694 10 0 DDAELP C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000062324776 184230420 /nfs/dbraw/zinc/23/04/20/184230420.db2.gz WGXNUCPAPJJGNK-NSHDSACASA-N 2 2 306.391 1.107 10 0 DDAELP COCC[NH2+]Cc1c(-n2c[nH+]c(C)c2C)nc2sccn12 ZINC000062738907 184251889 /nfs/dbraw/zinc/25/18/89/184251889.db2.gz LGGZWVULGNPIIL-UHFFFAOYSA-N 2 2 305.407 1.934 10 0 DDAELP CCCOc1ccccc1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142966 184392748 /nfs/dbraw/zinc/39/27/48/184392748.db2.gz NRTQBZCYMMUQMQ-UHFFFAOYSA-N 2 2 305.422 1.582 10 0 DDAELP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCn2cc[nH+]c2C1 ZINC000261633899 407560119 /nfs/dbraw/zinc/56/01/19/407560119.db2.gz CGVUFFJESGFPOU-AWEZNQCLSA-N 2 2 309.373 1.277 10 0 DDAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc3ncccn23)C1 ZINC000097139220 407282485 /nfs/dbraw/zinc/28/24/85/407282485.db2.gz CEBLTKXPDGHCCF-CQSZACIVSA-N 2 2 310.405 1.918 10 0 DDAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc3ncccn23)C1 ZINC000097139220 407282486 /nfs/dbraw/zinc/28/24/86/407282486.db2.gz CEBLTKXPDGHCCF-CQSZACIVSA-N 2 2 310.405 1.918 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CCC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261929402 407675638 /nfs/dbraw/zinc/67/56/38/407675638.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CCC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261929402 407675643 /nfs/dbraw/zinc/67/56/43/407675643.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CCC[NH2+]C3)CCC[N@@H+]2C)cn1 ZINC000261929402 407675646 /nfs/dbraw/zinc/67/56/46/407675646.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CCC[NH2+]C3)CCC[N@H+]2C)cn1 ZINC000261929402 407675650 /nfs/dbraw/zinc/67/56/50/407675650.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 3 2 319.497 1.734 10 0 DDAELP CC[C@@H](C(=O)OC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631475 407724966 /nfs/dbraw/zinc/72/49/66/407724966.db2.gz SWIOCKMIWSFGDG-HNNXBMFYSA-N 2 2 308.426 1.231 10 0 DDAELP CC[C@@H](C(=O)OC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631475 407724974 /nfs/dbraw/zinc/72/49/74/407724974.db2.gz SWIOCKMIWSFGDG-HNNXBMFYSA-N 2 2 308.426 1.231 10 0 DDAELP C[N@H+](CC(=O)NCCc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262547924 407862052 /nfs/dbraw/zinc/86/20/52/407862052.db2.gz RZHIBHXSYWVXMB-MRXNPFEDSA-N 2 2 307.413 1.558 10 0 DDAELP C[N@@H+](CC(=O)NCCc1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262547924 407862056 /nfs/dbraw/zinc/86/20/56/407862056.db2.gz RZHIBHXSYWVXMB-MRXNPFEDSA-N 2 2 307.413 1.558 10 0 DDAELP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000238035963 407875420 /nfs/dbraw/zinc/87/54/20/407875420.db2.gz BEFTVXANLSGLEI-HOTGVXAUSA-N 2 2 302.422 1.243 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281674 408090758 /nfs/dbraw/zinc/09/07/58/408090758.db2.gz UIUPOIFYTWXXOT-DWBSNAHUSA-N 3 2 315.461 1.352 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281674 408090763 /nfs/dbraw/zinc/09/07/63/408090763.db2.gz UIUPOIFYTWXXOT-DWBSNAHUSA-N 3 2 315.461 1.352 10 0 DDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173500829 162343177 /nfs/dbraw/zinc/34/31/77/162343177.db2.gz KXMYYVJRXSQOOI-MRXNPFEDSA-N 2 2 319.453 1.851 10 0 DDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000173500829 162343182 /nfs/dbraw/zinc/34/31/82/162343182.db2.gz KXMYYVJRXSQOOI-MRXNPFEDSA-N 2 2 319.453 1.851 10 0 DDAELP C[NH+](C)C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000177143198 408534760 /nfs/dbraw/zinc/53/47/60/408534760.db2.gz HMCLZDYZKQXMMB-HNNXBMFYSA-N 2 2 301.394 1.030 10 0 DDAELP Cc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000192568651 163227666 /nfs/dbraw/zinc/22/76/66/163227666.db2.gz QNPKZWQTPQODSX-QGZVFWFLSA-N 2 2 318.465 1.621 10 0 DDAELP Nc1nnc(CC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299739806 229375493 /nfs/dbraw/zinc/37/54/93/229375493.db2.gz RNFVNQORJGUITG-LLVKDONJSA-N 2 2 318.450 1.685 10 0 DDAELP Nc1nnc(CC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)s1 ZINC000299739806 229375495 /nfs/dbraw/zinc/37/54/95/229375495.db2.gz RNFVNQORJGUITG-LLVKDONJSA-N 2 2 318.450 1.685 10 0 DDAELP COCC[N@@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC000302048186 274031776 /nfs/dbraw/zinc/03/17/76/274031776.db2.gz MEJHUDFZTIBLEU-CYBMUJFWSA-N 2 2 304.438 1.821 10 0 DDAELP COCC[N@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)C[C@H]1C ZINC000302048186 274031777 /nfs/dbraw/zinc/03/17/77/274031777.db2.gz MEJHUDFZTIBLEU-CYBMUJFWSA-N 2 2 304.438 1.821 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000262002400 288219554 /nfs/dbraw/zinc/21/95/54/288219554.db2.gz LKEHOUKDGMGQJY-CJNGLKHVSA-N 2 2 317.433 1.371 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000262002400 288219555 /nfs/dbraw/zinc/21/95/55/288219555.db2.gz LKEHOUKDGMGQJY-CJNGLKHVSA-N 2 2 317.433 1.371 10 0 DDAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173979001 289298264 /nfs/dbraw/zinc/29/82/64/289298264.db2.gz GYVRJNKWMGQNDC-HZPDHXFCSA-N 2 2 309.454 1.184 10 0 DDAELP COc1cc(Cl)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000262069832 484261592 /nfs/dbraw/zinc/26/15/92/484261592.db2.gz CBWQSGRKLQNPEF-CABZTGNLSA-N 2 2 305.205 1.672 10 0 DDAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)CCn2cccn2)CCCN1C ZINC000671563644 485124103 /nfs/dbraw/zinc/12/41/03/485124103.db2.gz YKXTYCZXBFCFGB-DOTOQJQBSA-N 2 2 316.453 1.632 10 0 DDAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)CCn2cccn2)CCCN1C ZINC000671563644 485124106 /nfs/dbraw/zinc/12/41/06/485124106.db2.gz YKXTYCZXBFCFGB-DOTOQJQBSA-N 2 2 316.453 1.632 10 0 DDAELP O[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975473 534421250 /nfs/dbraw/zinc/42/12/50/534421250.db2.gz GVAKHYMHXOCEAV-ZWKOTPCHSA-N 3 2 303.450 1.355 10 0 DDAELP O[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422975473 534421256 /nfs/dbraw/zinc/42/12/56/534421256.db2.gz GVAKHYMHXOCEAV-ZWKOTPCHSA-N 3 2 303.450 1.355 10 0 DDAELP C[C@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000136195374 696853566 /nfs/dbraw/zinc/85/35/66/696853566.db2.gz GLZIARAUUNOHKW-MRXNPFEDSA-N 2 2 307.463 1.925 10 0 DDAELP O=C(CC[C@@H]1CCC[NH2+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262513348 698472791 /nfs/dbraw/zinc/47/27/91/698472791.db2.gz NDNMWRKDCWASTN-AWEZNQCLSA-N 2 2 302.422 1.699 10 0 DDAELP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)COCc1ccccc1 ZINC000720388025 699305460 /nfs/dbraw/zinc/30/54/60/699305460.db2.gz AFAHZAPLMAXEAV-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)COCc1ccccc1 ZINC000720388025 699305462 /nfs/dbraw/zinc/30/54/62/699305462.db2.gz AFAHZAPLMAXEAV-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000720388025 699305465 /nfs/dbraw/zinc/30/54/65/699305465.db2.gz AFAHZAPLMAXEAV-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000720388025 699305469 /nfs/dbraw/zinc/30/54/69/699305469.db2.gz AFAHZAPLMAXEAV-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP Brc1ccc(C[NH2+]CC[C@@H]2COCC[NH2+]2)s1 ZINC000087511047 185227540 /nfs/dbraw/zinc/22/75/40/185227540.db2.gz ZYHVUXZHFIXFIF-SECBINFHSA-N 2 2 305.241 1.979 10 0 DDAELP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662931 539272419 /nfs/dbraw/zinc/27/24/19/539272419.db2.gz YTYXNGNWWHIPDR-QWHCGFSZSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662931 539272420 /nfs/dbraw/zinc/27/24/20/539272420.db2.gz YTYXNGNWWHIPDR-QWHCGFSZSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248662931 539272422 /nfs/dbraw/zinc/27/24/22/539272422.db2.gz YTYXNGNWWHIPDR-QWHCGFSZSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248662931 539272424 /nfs/dbraw/zinc/27/24/24/539272424.db2.gz YTYXNGNWWHIPDR-QWHCGFSZSA-N 2 2 310.467 1.469 10 0 DDAELP [NH3+]C[C@H]1c2cc(F)c(F)c(F)c2CN1CC[NH+]1CCOCC1 ZINC000071683694 191007586 /nfs/dbraw/zinc/00/75/86/191007586.db2.gz FIAFYQXAAVDBRC-ZDUSSCGKSA-N 2 2 315.339 1.252 10 0 DDAELP CC[C@@H](CC[NH3+])[NH+]1CCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000080185641 192009715 /nfs/dbraw/zinc/00/97/15/192009715.db2.gz FDOVTFJIEXVGQP-ZDUSSCGKSA-N 2 2 305.488 1.107 10 0 DDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000187553650 200127427 /nfs/dbraw/zinc/12/74/27/200127427.db2.gz ACAUEQBVTWOICR-HNNXBMFYSA-N 2 2 320.437 1.501 10 0 DDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000187553650 200127429 /nfs/dbraw/zinc/12/74/29/200127429.db2.gz ACAUEQBVTWOICR-HNNXBMFYSA-N 2 2 320.437 1.501 10 0 DDAELP C[C@H]1SCCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000094478712 193372698 /nfs/dbraw/zinc/37/26/98/193372698.db2.gz QAMPGWZGOYHEBX-GDBMZVCRSA-N 2 2 306.479 1.817 10 0 DDAELP NC(=S)c1cc2c([nH+]c1NCCn1cc[nH+]c1)CCCC2 ZINC000043410928 183360301 /nfs/dbraw/zinc/36/03/01/183360301.db2.gz MKEMJFOROYHWRN-UHFFFAOYSA-N 2 2 301.419 1.903 10 0 DDAELP CC(C)[NH+](CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)C(C)C ZINC000105785947 194126985 /nfs/dbraw/zinc/12/69/85/194126985.db2.gz YCJQKZZUTYRSFY-HNNXBMFYSA-N 2 2 321.469 1.968 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000105896351 194161781 /nfs/dbraw/zinc/16/17/81/194161781.db2.gz DWNNVECGNHLKLF-NSHDSACASA-N 2 2 318.343 1.761 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000105896351 194161783 /nfs/dbraw/zinc/16/17/83/194161783.db2.gz DWNNVECGNHLKLF-NSHDSACASA-N 2 2 318.343 1.761 10 0 DDAELP Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c(C)[nH+]1 ZINC000154877992 197001756 /nfs/dbraw/zinc/00/17/56/197001756.db2.gz CKDSVHFIXNOCKE-CQSZACIVSA-N 2 2 320.437 1.729 10 0 DDAELP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000261629948 407561272 /nfs/dbraw/zinc/56/12/72/407561272.db2.gz CXVFRANSHYALTD-NWANDNLSSA-N 2 2 314.389 1.914 10 0 DDAELP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000261629948 407561277 /nfs/dbraw/zinc/56/12/77/407561277.db2.gz CXVFRANSHYALTD-NWANDNLSSA-N 2 2 314.389 1.914 10 0 DDAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000070576012 406820530 /nfs/dbraw/zinc/82/05/30/406820530.db2.gz ZAZKPOXUAHXASP-LSDHHAIUSA-N 2 2 307.463 1.910 10 0 DDAELP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171638325 407728390 /nfs/dbraw/zinc/72/83/90/407728390.db2.gz ROYVXIVSMORBNO-GJZGRUSLSA-N 2 2 301.394 1.073 10 0 DDAELP O[C@H](Cn1cccn1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171638325 407728397 /nfs/dbraw/zinc/72/83/97/407728397.db2.gz ROYVXIVSMORBNO-GJZGRUSLSA-N 2 2 301.394 1.073 10 0 DDAELP CN(Cc1ccccc1F)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262557343 407865647 /nfs/dbraw/zinc/86/56/47/407865647.db2.gz ULEHRDQEGLCLHY-OAHLLOKOSA-N 2 2 307.413 1.858 10 0 DDAELP CN(Cc1ccccc1F)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262557343 407865653 /nfs/dbraw/zinc/86/56/53/407865653.db2.gz ULEHRDQEGLCLHY-OAHLLOKOSA-N 2 2 307.413 1.858 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000263167159 408045745 /nfs/dbraw/zinc/04/57/45/408045745.db2.gz FHDSWZUNHOYCDU-STQMWFEESA-N 2 2 301.381 1.461 10 0 DDAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000263212640 408059170 /nfs/dbraw/zinc/05/91/70/408059170.db2.gz KKUOMTGJPGHALL-WBTNSWJXSA-N 2 2 309.454 1.073 10 0 DDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000119445575 408069546 /nfs/dbraw/zinc/06/95/46/408069546.db2.gz MIQVNZKSRHZSTH-OAHLLOKOSA-N 2 2 321.469 1.055 10 0 DDAELP Cc1ccc([C@H](CNC(=O)C[NH2+]C2CC2)[NH+]2CCOCC2)s1 ZINC000182415390 408149040 /nfs/dbraw/zinc/14/90/40/408149040.db2.gz PHNCUMYXIUQXDM-AWEZNQCLSA-N 2 2 323.462 1.298 10 0 DDAELP COCc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000182498038 408177886 /nfs/dbraw/zinc/17/78/86/408177886.db2.gz VHIKVUAHDXGINQ-ZDUSSCGKSA-N 2 2 317.393 1.853 10 0 DDAELP COCc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000182498038 408177890 /nfs/dbraw/zinc/17/78/90/408177890.db2.gz VHIKVUAHDXGINQ-ZDUSSCGKSA-N 2 2 317.393 1.853 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000246310908 408216332 /nfs/dbraw/zinc/21/63/32/408216332.db2.gz ZKNZIFKBRARGEU-ZFWWWQNUSA-N 2 2 313.405 1.712 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000246310908 408216337 /nfs/dbraw/zinc/21/63/37/408216337.db2.gz ZKNZIFKBRARGEU-ZFWWWQNUSA-N 2 2 313.405 1.712 10 0 DDAELP C[C@@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000151175300 408270730 /nfs/dbraw/zinc/27/07/30/408270730.db2.gz PGWKQESCVLFOJI-CJNGLKHVSA-N 2 2 309.454 1.229 10 0 DDAELP Cn1cc(CN2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000183175810 408344245 /nfs/dbraw/zinc/34/42/45/408344245.db2.gz VBWQGHNNSVZKSB-UHFFFAOYSA-N 2 2 302.426 1.215 10 0 DDAELP Cn1cc(CN2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000183175810 408344248 /nfs/dbraw/zinc/34/42/48/408344248.db2.gz VBWQGHNNSVZKSB-UHFFFAOYSA-N 2 2 302.426 1.215 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000246979404 408378671 /nfs/dbraw/zinc/37/86/71/408378671.db2.gz VVCDJTIRRHPLRW-GJZGRUSLSA-N 2 2 320.437 1.015 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000246979404 408378676 /nfs/dbraw/zinc/37/86/76/408378676.db2.gz VVCDJTIRRHPLRW-GJZGRUSLSA-N 2 2 320.437 1.015 10 0 DDAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)C[NH+](C)C)c2cccs2)CCO1 ZINC000176587435 408398748 /nfs/dbraw/zinc/39/87/48/408398748.db2.gz UQCWJLGUJHNGQG-STQMWFEESA-N 2 2 311.451 1.188 10 0 DDAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)C[NH+](C)C)c2cccs2)CCO1 ZINC000176587435 408398756 /nfs/dbraw/zinc/39/87/56/408398756.db2.gz UQCWJLGUJHNGQG-STQMWFEESA-N 2 2 311.451 1.188 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178329510 408806884 /nfs/dbraw/zinc/80/68/84/408806884.db2.gz PJMRJDOSOFYZKJ-CYBMUJFWSA-N 2 2 303.366 1.591 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178329510 408806887 /nfs/dbraw/zinc/80/68/87/408806887.db2.gz PJMRJDOSOFYZKJ-CYBMUJFWSA-N 2 2 303.366 1.591 10 0 DDAELP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515886 163327075 /nfs/dbraw/zinc/32/70/75/163327075.db2.gz MHBMTWZYIPSZBH-LSDHHAIUSA-N 2 2 320.437 1.357 10 0 DDAELP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515886 163327079 /nfs/dbraw/zinc/32/70/79/163327079.db2.gz MHBMTWZYIPSZBH-LSDHHAIUSA-N 2 2 320.437 1.357 10 0 DDAELP COc1ccc(F)c(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261997207 163745547 /nfs/dbraw/zinc/74/55/47/163745547.db2.gz KXYAPCKVNFCPGL-KRWDZBQOSA-N 2 2 307.413 1.956 10 0 DDAELP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195248510 222194807 /nfs/dbraw/zinc/19/48/07/222194807.db2.gz YWOADZJOTCXTFB-KGLIPLIRSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195248510 222194811 /nfs/dbraw/zinc/19/48/11/222194811.db2.gz YWOADZJOTCXTFB-KGLIPLIRSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195248510 222194815 /nfs/dbraw/zinc/19/48/15/222194815.db2.gz YWOADZJOTCXTFB-KGLIPLIRSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195248510 222194817 /nfs/dbraw/zinc/19/48/17/222194817.db2.gz YWOADZJOTCXTFB-KGLIPLIRSA-N 2 2 313.467 1.213 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ncccn1 ZINC000154539031 527448792 /nfs/dbraw/zinc/44/87/92/527448792.db2.gz DJZWLFIIAORYNV-GXTWGEPZSA-N 2 2 314.393 1.473 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ncccn1 ZINC000154539031 527448795 /nfs/dbraw/zinc/44/87/95/527448795.db2.gz DJZWLFIIAORYNV-GXTWGEPZSA-N 2 2 314.393 1.473 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000246204533 698345587 /nfs/dbraw/zinc/34/55/87/698345587.db2.gz FHDIHQSNSMKWBK-HRCADAONSA-N 2 2 311.470 1.367 10 0 DDAELP C[N@@H+]1CCCC[C@H]1COc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000088165556 185240839 /nfs/dbraw/zinc/24/08/39/185240839.db2.gz QEUNADZMMUVQEM-JTQLQIEISA-N 2 2 308.773 1.574 10 0 DDAELP C[N@H+]1CCCC[C@H]1COc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000088165556 185240840 /nfs/dbraw/zinc/24/08/40/185240840.db2.gz QEUNADZMMUVQEM-JTQLQIEISA-N 2 2 308.773 1.574 10 0 DDAELP Clc1ccc2[nH+]c(CN3CC(N4CC[NH2+]CC4)C3)cn2c1 ZINC000090309258 185290589 /nfs/dbraw/zinc/29/05/89/185290589.db2.gz RLISXJQDGVNGOM-UHFFFAOYSA-N 2 2 305.813 1.077 10 0 DDAELP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000080531919 192165398 /nfs/dbraw/zinc/16/53/98/192165398.db2.gz NNJKEEKXCXBAGT-LLVKDONJSA-N 2 2 308.407 1.511 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000174609187 198358429 /nfs/dbraw/zinc/35/84/29/198358429.db2.gz UKZKTDJPSHXEMT-HUUCEWRRSA-N 2 2 305.426 1.541 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000174609187 198358431 /nfs/dbraw/zinc/35/84/31/198358431.db2.gz UKZKTDJPSHXEMT-HUUCEWRRSA-N 2 2 305.426 1.541 10 0 DDAELP Cc1ccc(C[N@H+](C)[C@H]2C[NH2+]C[C@@H]2O)c(-c2cnn(C)c2)c1 ZINC000584767835 354762240 /nfs/dbraw/zinc/76/22/40/354762240.db2.gz LBEAFQULDQKQNG-IRXDYDNUSA-N 2 2 300.406 1.160 10 0 DDAELP Cc1ccc(C[N@@H+](C)[C@H]2C[NH2+]C[C@@H]2O)c(-c2cnn(C)c2)c1 ZINC000584767835 354762243 /nfs/dbraw/zinc/76/22/43/354762243.db2.gz LBEAFQULDQKQNG-IRXDYDNUSA-N 2 2 300.406 1.160 10 0 DDAELP CCC[NH+]1CCN(S(=O)(=O)c2cc(C[NH2+]C)oc2C)CC1 ZINC000088925225 192660365 /nfs/dbraw/zinc/66/03/65/192660365.db2.gz STMQDACDSVYVRI-UHFFFAOYSA-N 2 2 315.439 1.024 10 0 DDAELP CCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000093698392 193292972 /nfs/dbraw/zinc/29/29/72/193292972.db2.gz DOETWUJVLYYUGK-HUUCEWRRSA-N 2 2 317.499 1.122 10 0 DDAELP CCC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000093698392 193292974 /nfs/dbraw/zinc/29/29/74/193292974.db2.gz DOETWUJVLYYUGK-HUUCEWRRSA-N 2 2 317.499 1.122 10 0 DDAELP CC[NH2+][C@@H]1[C@@H](C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316709 193359491 /nfs/dbraw/zinc/35/94/91/193359491.db2.gz GLICLZBUUAZPEG-MGPQQGTHSA-N 2 2 302.484 1.520 10 0 DDAELP CC[NH2+][C@@H]1[C@@H](C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316709 193359492 /nfs/dbraw/zinc/35/94/92/193359492.db2.gz GLICLZBUUAZPEG-MGPQQGTHSA-N 2 2 302.484 1.520 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508546 193375418 /nfs/dbraw/zinc/37/54/18/193375418.db2.gz KATIKNMQBCQKEE-UONOGXRCSA-N 2 2 300.233 1.863 10 0 DDAELP Cc1ccnc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1 ZINC000040701313 183119621 /nfs/dbraw/zinc/11/96/21/183119621.db2.gz FISFVLADIYOXFZ-UHFFFAOYSA-N 2 2 314.397 1.080 10 0 DDAELP CC[N@@H+]1CC[C@@H](CNc2[nH+]c3c(cc2C(N)=S)CCC3)C1 ZINC000043408653 183359668 /nfs/dbraw/zinc/35/96/68/183359668.db2.gz URLHGUWFKNKXLZ-NSHDSACASA-N 2 2 304.463 1.958 10 0 DDAELP CC[N@H+]1CC[C@@H](CNc2[nH+]c3c(cc2C(N)=S)CCC3)C1 ZINC000043408653 183359671 /nfs/dbraw/zinc/35/96/71/183359671.db2.gz URLHGUWFKNKXLZ-NSHDSACASA-N 2 2 304.463 1.958 10 0 DDAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000052528889 407152540 /nfs/dbraw/zinc/15/25/40/407152540.db2.gz KSHBEELCHBMNHE-CQSZACIVSA-N 2 2 305.426 1.667 10 0 DDAELP CC[N@H+]1CCC[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000052528889 407152542 /nfs/dbraw/zinc/15/25/42/407152542.db2.gz KSHBEELCHBMNHE-CQSZACIVSA-N 2 2 305.426 1.667 10 0 DDAELP CCCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863296 407356542 /nfs/dbraw/zinc/35/65/42/407356542.db2.gz XSRJJMPMOUKFKY-HNNXBMFYSA-N 2 2 321.469 1.194 10 0 DDAELP CCCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863296 407356543 /nfs/dbraw/zinc/35/65/43/407356543.db2.gz XSRJJMPMOUKFKY-HNNXBMFYSA-N 2 2 321.469 1.194 10 0 DDAELP C[NH+](C)C[C@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766853 407477080 /nfs/dbraw/zinc/47/70/80/407477080.db2.gz DHEFQRREMAUHFQ-SPCWZHTESA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766853 407477083 /nfs/dbraw/zinc/47/70/83/407477083.db2.gz DHEFQRREMAUHFQ-SPCWZHTESA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766853 407477088 /nfs/dbraw/zinc/47/70/88/407477088.db2.gz DHEFQRREMAUHFQ-SPCWZHTESA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766853 407477094 /nfs/dbraw/zinc/47/70/94/407477094.db2.gz DHEFQRREMAUHFQ-SPCWZHTESA-N 4 2 308.514 1.310 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000151809835 407505132 /nfs/dbraw/zinc/50/51/32/407505132.db2.gz BXJJQFIFGNKKJE-CQSZACIVSA-N 2 2 316.409 1.689 10 0 DDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245201808 407950023 /nfs/dbraw/zinc/95/00/23/407950023.db2.gz MPNHDMJFGRMUTM-IAGOWNOFSA-N 2 2 317.433 1.098 10 0 DDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245201808 407950032 /nfs/dbraw/zinc/95/00/32/407950032.db2.gz MPNHDMJFGRMUTM-IAGOWNOFSA-N 2 2 317.433 1.098 10 0 DDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245201808 407950037 /nfs/dbraw/zinc/95/00/37/407950037.db2.gz MPNHDMJFGRMUTM-IAGOWNOFSA-N 2 2 317.433 1.098 10 0 DDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000245201808 407950045 /nfs/dbraw/zinc/95/00/45/407950045.db2.gz MPNHDMJFGRMUTM-IAGOWNOFSA-N 2 2 317.433 1.098 10 0 DDAELP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263015833 408003803 /nfs/dbraw/zinc/00/38/03/408003803.db2.gz QHZMGHAOFSHPJB-CQSZACIVSA-N 2 2 324.375 1.159 10 0 DDAELP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263044436 408009369 /nfs/dbraw/zinc/00/93/69/408009369.db2.gz TWRFWXNEUDSOAO-ZDUSSCGKSA-N 2 2 303.397 1.707 10 0 DDAELP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263044436 408009375 /nfs/dbraw/zinc/00/93/75/408009375.db2.gz TWRFWXNEUDSOAO-ZDUSSCGKSA-N 2 2 303.397 1.707 10 0 DDAELP C[C@@H]1COC[C@H](C)[NH+]1CCOCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000149687939 408193555 /nfs/dbraw/zinc/19/35/55/408193555.db2.gz AZFJDAIILPPZJN-GEEKYZPCSA-N 2 2 300.443 1.221 10 0 DDAELP C[C@@H]1COC[C@H](C)[NH+]1CCOCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000149687939 408193560 /nfs/dbraw/zinc/19/35/60/408193560.db2.gz AZFJDAIILPPZJN-GEEKYZPCSA-N 2 2 300.443 1.221 10 0 DDAELP CCOCCNC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910331 408135745 /nfs/dbraw/zinc/13/57/45/408135745.db2.gz KYNMOQIXIOALHD-CQSZACIVSA-N 2 2 316.405 1.676 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nccn2C)nc[nH+]1 ZINC000183217024 408358210 /nfs/dbraw/zinc/35/82/10/408358210.db2.gz KDGRLJJTEDDKAF-CHWSQXEVSA-N 2 2 315.425 1.571 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnnn3C(C)C)C2)[nH+]1 ZINC000195516351 163326945 /nfs/dbraw/zinc/32/69/45/163326945.db2.gz CIESXWXXKXKEHQ-CQSZACIVSA-N 2 2 315.425 1.891 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnnn3C(C)C)C2)[nH+]1 ZINC000195516351 163326950 /nfs/dbraw/zinc/32/69/50/163326950.db2.gz CIESXWXXKXKEHQ-CQSZACIVSA-N 2 2 315.425 1.891 10 0 DDAELP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515828 163327134 /nfs/dbraw/zinc/32/71/34/163327134.db2.gz DPSYGPSBUPDVFY-LSDHHAIUSA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515828 163327135 /nfs/dbraw/zinc/32/71/35/163327135.db2.gz DPSYGPSBUPDVFY-LSDHHAIUSA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903666 423106897 /nfs/dbraw/zinc/10/68/97/423106897.db2.gz OAVNPQNCMDSJTR-GJZGRUSLSA-N 2 2 302.484 1.664 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903666 423106902 /nfs/dbraw/zinc/10/69/02/423106902.db2.gz OAVNPQNCMDSJTR-GJZGRUSLSA-N 2 2 302.484 1.664 10 0 DDAELP Cn1c[nH+]cc1[C@H]1[C@H](C[NH2+]Cc2ccc(CO)o2)CCCN1C ZINC000583616635 422202413 /nfs/dbraw/zinc/20/24/13/422202413.db2.gz UZYBTGZAFKEWQB-SUMWQHHRSA-N 2 2 318.421 1.678 10 0 DDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972426 288251398 /nfs/dbraw/zinc/25/13/98/288251398.db2.gz OEQWJNYNKMPGEK-HZSPNIEDSA-N 2 2 323.462 1.378 10 0 DDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972426 288251400 /nfs/dbraw/zinc/25/14/00/288251400.db2.gz OEQWJNYNKMPGEK-HZSPNIEDSA-N 2 2 323.462 1.378 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(C(C)C)C1=O ZINC000176080814 697401028 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10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000303491064 539289079 /nfs/dbraw/zinc/28/90/79/539289079.db2.gz JUNWYZZCURSRTR-YTQUADARSA-N 2 2 317.477 1.960 10 0 DDAELP C[C@@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H](C)[NH3+] ZINC000249002518 295787349 /nfs/dbraw/zinc/78/73/49/295787349.db2.gz IROMZTNZSRUCSK-IJEWVQPXSA-N 2 2 305.422 1.159 10 0 DDAELP CCCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291326 201373045 /nfs/dbraw/zinc/37/30/45/201373045.db2.gz OWCCAFQGZMEITK-QGZVFWFLSA-N 2 2 318.465 1.752 10 0 DDAELP CCCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291326 201373049 /nfs/dbraw/zinc/37/30/49/201373049.db2.gz OWCCAFQGZMEITK-QGZVFWFLSA-N 2 2 318.465 1.752 10 0 DDAELP CCCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291326 201373052 /nfs/dbraw/zinc/37/30/52/201373052.db2.gz OWCCAFQGZMEITK-QGZVFWFLSA-N 2 2 318.465 1.752 10 0 DDAELP CCCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291326 201373056 /nfs/dbraw/zinc/37/30/56/201373056.db2.gz OWCCAFQGZMEITK-QGZVFWFLSA-N 2 2 318.465 1.752 10 0 DDAELP C[C@](O)(C[NH3+])Cc1[nH]c2cc(Br)c(F)cc2[nH+]1 ZINC000093728730 193297122 /nfs/dbraw/zinc/29/71/22/193297122.db2.gz RWXWNSUUYACONL-LLVKDONJSA-N 2 2 302.147 1.717 10 0 DDAELP C[NH2+]Cc1oc2ccccc2c1C[N@H+](C)CCS(C)(=O)=O ZINC000094300869 193359062 /nfs/dbraw/zinc/35/90/62/193359062.db2.gz MCLDITROSWMPOU-UHFFFAOYSA-N 2 2 310.419 1.629 10 0 DDAELP C[NH2+]Cc1oc2ccccc2c1C[N@@H+](C)CCS(C)(=O)=O ZINC000094300869 193359063 /nfs/dbraw/zinc/35/90/63/193359063.db2.gz MCLDITROSWMPOU-UHFFFAOYSA-N 2 2 310.419 1.629 10 0 DDAELP [NH3+][C@H](Cc1sccc1Br)[C@H]1C[NH+]2CCN1CC2 ZINC000094508151 193375316 /nfs/dbraw/zinc/37/53/16/193375316.db2.gz AVVXZEFMBSLGGZ-GHMZBOCLSA-N 2 2 316.268 1.380 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)CCOC)OCCO2 ZINC000043968793 183391183 /nfs/dbraw/zinc/39/11/83/183391183.db2.gz ISYSBSMUXIZMFT-HUUCEWRRSA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)CCOC)OCCO2 ZINC000043968793 183391186 /nfs/dbraw/zinc/39/11/86/183391186.db2.gz ISYSBSMUXIZMFT-HUUCEWRRSA-N 2 2 300.443 1.619 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000105897711 194163042 /nfs/dbraw/zinc/16/30/42/194163042.db2.gz CWKCVURCTZLMOT-ZDUSSCGKSA-N 2 2 319.409 1.024 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000105897711 194163044 /nfs/dbraw/zinc/16/30/44/194163044.db2.gz CWKCVURCTZLMOT-ZDUSSCGKSA-N 2 2 319.409 1.024 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000105897552 194163317 /nfs/dbraw/zinc/16/33/17/194163317.db2.gz FGIUHIHLKGEAGL-OAHLLOKOSA-N 2 2 320.437 1.331 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000105897552 194163319 /nfs/dbraw/zinc/16/33/19/194163319.db2.gz FGIUHIHLKGEAGL-OAHLLOKOSA-N 2 2 320.437 1.331 10 0 DDAELP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105896275 194163623 /nfs/dbraw/zinc/16/36/23/194163623.db2.gz DEWNLLVJUGEHNH-CYBMUJFWSA-N 2 2 321.425 1.318 10 0 DDAELP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105896275 194163625 /nfs/dbraw/zinc/16/36/25/194163625.db2.gz DEWNLLVJUGEHNH-CYBMUJFWSA-N 2 2 321.425 1.318 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000106433206 194213212 /nfs/dbraw/zinc/21/32/12/194213212.db2.gz AHAGYXRJRYPGTD-SFHVURJKSA-N 2 2 315.461 1.714 10 0 DDAELP CCc1nc(N2CC[C@H]([NH+]3CCOCC3)C2)sc1C[NH2+]C ZINC000110275805 194318681 /nfs/dbraw/zinc/31/86/81/194318681.db2.gz NLQOITRHAVAVQR-LBPRGKRZSA-N 2 2 310.467 1.336 10 0 DDAELP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000070576010 406820525 /nfs/dbraw/zinc/82/05/25/406820525.db2.gz ZAZKPOXUAHXASP-GJZGRUSLSA-N 2 2 307.463 1.910 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000122869825 407312821 /nfs/dbraw/zinc/31/28/21/407312821.db2.gz VYBBVFVAWFZELN-HOTGVXAUSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000122869825 407312822 /nfs/dbraw/zinc/31/28/22/407312822.db2.gz VYBBVFVAWFZELN-HOTGVXAUSA-N 2 2 323.437 1.212 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000109329482 407397011 /nfs/dbraw/zinc/39/70/11/407397011.db2.gz APUYCMAAACUNGJ-ZDUSSCGKSA-N 2 2 314.455 1.022 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000109329482 407397012 /nfs/dbraw/zinc/39/70/12/407397012.db2.gz APUYCMAAACUNGJ-ZDUSSCGKSA-N 2 2 314.455 1.022 10 0 DDAELP Cc1nn(C)c(C)c1CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262002438 407707726 /nfs/dbraw/zinc/70/77/26/407707726.db2.gz LKYMZMNFHFBART-QGZVFWFLSA-N 2 2 305.470 1.154 10 0 DDAELP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)nc2s1 ZINC000262013297 407711453 /nfs/dbraw/zinc/71/14/53/407711453.db2.gz VVGVLAQKYMTILM-MJBXVCDLSA-N 2 2 306.435 1.643 10 0 DDAELP COC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000262339809 407803608 /nfs/dbraw/zinc/80/36/08/407803608.db2.gz SQVLBFWEZKNDHY-AWEZNQCLSA-N 2 2 306.410 1.052 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281666 408090905 /nfs/dbraw/zinc/09/09/05/408090905.db2.gz UIUPOIFYTWXXOT-BDZKXGRMSA-N 3 2 315.461 1.352 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281666 408090911 /nfs/dbraw/zinc/09/09/11/408090911.db2.gz UIUPOIFYTWXXOT-BDZKXGRMSA-N 3 2 315.461 1.352 10 0 DDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000173500846 162342582 /nfs/dbraw/zinc/34/25/82/162342582.db2.gz KXMYYVJRXSQOOI-INIZCTEOSA-N 2 2 319.453 1.851 10 0 DDAELP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000173500846 162342592 /nfs/dbraw/zinc/34/25/92/162342592.db2.gz KXMYYVJRXSQOOI-INIZCTEOSA-N 2 2 319.453 1.851 10 0 DDAELP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173978661 162383845 /nfs/dbraw/zinc/38/38/45/162383845.db2.gz ZEUFAUXARPWTNP-QGZVFWFLSA-N 2 2 317.433 1.295 10 0 DDAELP Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000176755974 408434754 /nfs/dbraw/zinc/43/47/54/408434754.db2.gz JKWNLGOFBBATSX-CQSZACIVSA-N 2 2 306.410 1.667 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000249157469 408701222 /nfs/dbraw/zinc/70/12/22/408701222.db2.gz XMQFGTNUSVZIFF-MJBXVCDLSA-N 2 2 305.426 1.502 10 0 DDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000309880075 484379017 /nfs/dbraw/zinc/37/90/17/484379017.db2.gz JGOKQCHZPXJWHR-DOTOQJQBSA-N 2 2 302.422 1.354 10 0 DDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000309880075 484379023 /nfs/dbraw/zinc/37/90/23/484379023.db2.gz JGOKQCHZPXJWHR-DOTOQJQBSA-N 2 2 302.422 1.354 10 0 DDAELP O=C(NCCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CSC[NH2+]1 ZINC000074600042 185001401 /nfs/dbraw/zinc/00/14/01/185001401.db2.gz UIIWPJMVOQMFAM-NSHDSACASA-N 2 2 310.810 1.309 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000092713938 185335843 /nfs/dbraw/zinc/33/58/43/185335843.db2.gz XDDXZOSSOORYPW-UHFFFAOYSA-N 2 2 307.360 1.647 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236970603 202100817 /nfs/dbraw/zinc/10/08/17/202100817.db2.gz TXOCWKGWQSSRNY-VNHYZAJKSA-N 2 2 320.437 1.439 10 0 DDAELP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287648 201373629 /nfs/dbraw/zinc/37/36/29/201373629.db2.gz OCZOUEBJBVJNOE-INIZCTEOSA-N 2 2 316.449 1.456 10 0 DDAELP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287648 201373632 /nfs/dbraw/zinc/37/36/32/201373632.db2.gz OCZOUEBJBVJNOE-INIZCTEOSA-N 2 2 316.449 1.456 10 0 DDAELP CN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287648 201373636 /nfs/dbraw/zinc/37/36/36/201373636.db2.gz OCZOUEBJBVJNOE-INIZCTEOSA-N 2 2 316.449 1.456 10 0 DDAELP CN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287648 201373639 /nfs/dbraw/zinc/37/36/39/201373639.db2.gz OCZOUEBJBVJNOE-INIZCTEOSA-N 2 2 316.449 1.456 10 0 DDAELP CC[NH2+]Cc1ccccc1OCC[N@H+](C)CCS(C)(=O)=O ZINC000094300883 193358373 /nfs/dbraw/zinc/35/83/73/193358373.db2.gz FUROBRDUZAVAAF-UHFFFAOYSA-N 2 2 314.451 1.151 10 0 DDAELP CC[NH2+]Cc1ccccc1OCC[N@@H+](C)CCS(C)(=O)=O ZINC000094300883 193358375 /nfs/dbraw/zinc/35/83/75/193358375.db2.gz FUROBRDUZAVAAF-UHFFFAOYSA-N 2 2 314.451 1.151 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000105915166 194168018 /nfs/dbraw/zinc/16/80/18/194168018.db2.gz ZKAHDAHUZHFSRM-GOSISDBHSA-N 2 2 318.465 1.308 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000105915166 194168020 /nfs/dbraw/zinc/16/80/20/194168020.db2.gz ZKAHDAHUZHFSRM-GOSISDBHSA-N 2 2 318.465 1.308 10 0 DDAELP COCC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@H]1C ZINC000110031105 194304454 /nfs/dbraw/zinc/30/44/54/194304454.db2.gz BNLZLKUNHFQLAY-CQSZACIVSA-N 2 2 307.438 1.860 10 0 DDAELP COCC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@H]1C ZINC000110031105 194304456 /nfs/dbraw/zinc/30/44/56/194304456.db2.gz BNLZLKUNHFQLAY-CQSZACIVSA-N 2 2 307.438 1.860 10 0 DDAELP CCc1[nH+]ccn1-c1nc2sccn2c1C[NH2+]CCOC ZINC000062738825 184252169 /nfs/dbraw/zinc/25/21/69/184252169.db2.gz QLZSZBXLUJIWSJ-UHFFFAOYSA-N 2 2 305.407 1.880 10 0 DDAELP CC[NH2+][C@@H](C)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062975235 184263371 /nfs/dbraw/zinc/26/33/71/184263371.db2.gz OTRXIXYKPJQOEE-STQMWFEESA-N 2 2 310.467 1.725 10 0 DDAELP C[NH2+]Cc1nc(N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000062983171 184264459 /nfs/dbraw/zinc/26/44/59/184264459.db2.gz SPXIPYYFPRUDBK-GFCCVEGCSA-N 2 2 310.829 1.365 10 0 DDAELP Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000248111000 257109769 /nfs/dbraw/zinc/10/97/69/257109769.db2.gz QTEONVZLJUUIBS-RBUKOAKNSA-N 2 2 316.445 1.776 10 0 DDAELP Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000248111000 257109771 /nfs/dbraw/zinc/10/97/71/257109771.db2.gz QTEONVZLJUUIBS-RBUKOAKNSA-N 2 2 316.445 1.776 10 0 DDAELP [NH3+]C1CCC(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000037800882 406994136 /nfs/dbraw/zinc/99/41/36/406994136.db2.gz GGOMDKPEYSHXBH-UHFFFAOYSA-N 2 2 307.463 1.910 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000106912092 407366271 /nfs/dbraw/zinc/36/62/71/407366271.db2.gz ZNZDYHAPDNBCOI-QGZVFWFLSA-N 2 2 301.434 1.466 10 0 DDAELP CC(C)Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261901944 407662104 /nfs/dbraw/zinc/66/21/04/407662104.db2.gz HUTDBXIZZAPZJB-OAGGEKHMSA-N 2 2 306.454 1.786 10 0 DDAELP O=C(CCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171767365 407765159 /nfs/dbraw/zinc/76/51/59/407765159.db2.gz UVKIFFJRXHIHNV-MRXNPFEDSA-N 2 2 309.454 1.186 10 0 DDAELP O=C(CCCC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171767365 407765162 /nfs/dbraw/zinc/76/51/62/407765162.db2.gz UVKIFFJRXHIHNV-MRXNPFEDSA-N 2 2 309.454 1.186 10 0 DDAELP Cc1cccc(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)c1 ZINC000262234058 407771666 /nfs/dbraw/zinc/77/16/66/407771666.db2.gz OGAQUUMQEBCHFQ-UHFFFAOYSA-N 2 2 301.394 1.155 10 0 DDAELP [NH3+]Cc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000262252983 407777228 /nfs/dbraw/zinc/77/72/28/407777228.db2.gz QIIOIBSQXGGDIP-UHFFFAOYSA-N 2 2 321.812 1.500 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3nc4ccccc4s3)C[C@H]12 ZINC000262528507 407858622 /nfs/dbraw/zinc/85/86/22/407858622.db2.gz PEUGFVFBXXNMMZ-SDDRHHMPSA-N 2 2 316.430 1.904 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3nc4ccccc4s3)C[C@H]12 ZINC000262528507 407858628 /nfs/dbraw/zinc/85/86/28/407858628.db2.gz PEUGFVFBXXNMMZ-SDDRHHMPSA-N 2 2 316.430 1.904 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3nc4ccccc4s3)C[C@@H]12 ZINC000262528503 407859233 /nfs/dbraw/zinc/85/92/33/407859233.db2.gz PEUGFVFBXXNMMZ-IJLUTSLNSA-N 2 2 316.430 1.904 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3nc4ccccc4s3)C[C@@H]12 ZINC000262528503 407859236 /nfs/dbraw/zinc/85/92/36/407859236.db2.gz PEUGFVFBXXNMMZ-IJLUTSLNSA-N 2 2 316.430 1.904 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000262661299 407893832 /nfs/dbraw/zinc/89/38/32/407893832.db2.gz NSVHMZAGCBUFQT-SJORKVTESA-N 2 2 319.449 1.564 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC[N@H+]1CCOC ZINC000262661299 407893838 /nfs/dbraw/zinc/89/38/38/407893838.db2.gz NSVHMZAGCBUFQT-SJORKVTESA-N 2 2 319.449 1.564 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000263245807 408073045 /nfs/dbraw/zinc/07/30/45/408073045.db2.gz PGVVFPZUMSDWOW-CABZTGNLSA-N 2 2 319.630 1.772 10 0 DDAELP CC(C)N1CC[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000175252080 408088395 /nfs/dbraw/zinc/08/83/95/408088395.db2.gz INHROZLJQQOBFF-CABCVRRESA-N 2 2 302.422 1.825 10 0 DDAELP CC(C)N1CC[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000175252080 408088404 /nfs/dbraw/zinc/08/84/04/408088404.db2.gz INHROZLJQQOBFF-CABCVRRESA-N 2 2 302.422 1.825 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CC13CC[NH2+]CC3)C2 ZINC000137243473 408150943 /nfs/dbraw/zinc/15/09/43/408150943.db2.gz MWOMWJRILMAZLO-ZDUSSCGKSA-N 2 2 316.449 1.818 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246893932 408361816 /nfs/dbraw/zinc/36/18/16/408361816.db2.gz HIHHJGYIIHWMDK-NRKLIOEPSA-N 2 2 323.481 1.427 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246893932 408361817 /nfs/dbraw/zinc/36/18/17/408361817.db2.gz HIHHJGYIIHWMDK-NRKLIOEPSA-N 2 2 323.481 1.427 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247457875 408472313 /nfs/dbraw/zinc/47/23/13/408472313.db2.gz IBXWMBNKLJTONF-ZBFHGGJFSA-N 2 2 319.453 1.110 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247457875 408472315 /nfs/dbraw/zinc/47/23/15/408472315.db2.gz IBXWMBNKLJTONF-ZBFHGGJFSA-N 2 2 319.453 1.110 10 0 DDAELP COc1ccc(CC2CC[NH+](Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000261704187 163688450 /nfs/dbraw/zinc/68/84/50/163688450.db2.gz KAAAHQDASFIJRO-UHFFFAOYSA-N 2 2 316.405 1.992 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404330905 418770434 /nfs/dbraw/zinc/77/04/34/418770434.db2.gz YXNUSMRHYMOJIT-JKQORVJESA-N 2 2 319.449 1.470 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404330905 418770440 /nfs/dbraw/zinc/77/04/40/418770440.db2.gz YXNUSMRHYMOJIT-JKQORVJESA-N 2 2 319.449 1.470 10 0 DDAELP CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[N@H+](C)C1 ZINC000583618173 422205269 /nfs/dbraw/zinc/20/52/69/422205269.db2.gz HRLXHPNYHVWIDW-HOTGVXAUSA-N 2 2 314.389 1.208 10 0 DDAELP CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[N@@H+](C)C1 ZINC000583618173 422205274 /nfs/dbraw/zinc/20/52/74/422205274.db2.gz HRLXHPNYHVWIDW-HOTGVXAUSA-N 2 2 314.389 1.208 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)c2ccccc2C1=O ZINC000176083829 697401099 /nfs/dbraw/zinc/40/10/99/697401099.db2.gz YTYYKCGXXCIZDA-AWEZNQCLSA-N 2 2 324.384 1.910 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)c2ccccc2C1=O ZINC000176083829 697401101 /nfs/dbraw/zinc/40/11/01/697401101.db2.gz YTYYKCGXXCIZDA-AWEZNQCLSA-N 2 2 324.384 1.910 10 0 DDAELP C[C@@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCC[NH2+]C1 ZINC000720665959 699307656 /nfs/dbraw/zinc/30/76/56/699307656.db2.gz OGCAEPYZQLMKPI-NXEZZACHSA-N 2 2 301.232 1.660 10 0 DDAELP C[C@@](CC[NH+]1CCC(C(F)(F)F)CC1)([NH2+]C1CC1)C(N)=O ZINC000088435436 185250411 /nfs/dbraw/zinc/25/04/11/185250411.db2.gz CHMGDNWELNGHHY-ZDUSSCGKSA-N 2 2 307.360 1.647 10 0 DDAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237606787 202300276 /nfs/dbraw/zinc/30/02/76/202300276.db2.gz SFUCVOKOUBYTCR-LSDHHAIUSA-N 2 2 320.437 1.453 10 0 DDAELP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287661 201373019 /nfs/dbraw/zinc/37/30/19/201373019.db2.gz OCZOUEBJBVJNOE-MRXNPFEDSA-N 2 2 316.449 1.456 10 0 DDAELP CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287661 201373023 /nfs/dbraw/zinc/37/30/23/201373023.db2.gz OCZOUEBJBVJNOE-MRXNPFEDSA-N 2 2 316.449 1.456 10 0 DDAELP CN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287661 201373026 /nfs/dbraw/zinc/37/30/26/201373026.db2.gz OCZOUEBJBVJNOE-MRXNPFEDSA-N 2 2 316.449 1.456 10 0 DDAELP CN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195287661 201373030 /nfs/dbraw/zinc/37/30/30/201373030.db2.gz OCZOUEBJBVJNOE-MRXNPFEDSA-N 2 2 316.449 1.456 10 0 DDAELP CC[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)[NH+](C)C ZINC000622591848 365445454 /nfs/dbraw/zinc/44/54/54/365445454.db2.gz SKSHGLKJZTVADN-UONOGXRCSA-N 2 2 308.426 1.344 10 0 DDAELP COc1cc(CC[NH3+])cc(Cl)c1OC[C@H]1C[N@H+](C)CCO1 ZINC000092060562 193149209 /nfs/dbraw/zinc/14/92/09/193149209.db2.gz VSGWWFCWEIFTNW-GFCCVEGCSA-N 2 2 314.813 1.559 10 0 DDAELP COc1cc(CC[NH3+])cc(Cl)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092060562 193149211 /nfs/dbraw/zinc/14/92/11/193149211.db2.gz VSGWWFCWEIFTNW-GFCCVEGCSA-N 2 2 314.813 1.559 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH2+]C)[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894500 193324959 /nfs/dbraw/zinc/32/49/59/193324959.db2.gz QRUWPVNJVQRONA-OCCSQVGLSA-N 2 2 313.877 1.012 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH2+]C)[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894500 193324961 /nfs/dbraw/zinc/32/49/61/193324961.db2.gz QRUWPVNJVQRONA-OCCSQVGLSA-N 2 2 313.877 1.012 10 0 DDAELP CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000042440482 183270402 /nfs/dbraw/zinc/27/04/02/183270402.db2.gz GLYDCOWKDYCKBI-CYBMUJFWSA-N 2 2 301.228 1.851 10 0 DDAELP CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000042440482 183270405 /nfs/dbraw/zinc/27/04/05/183270405.db2.gz GLYDCOWKDYCKBI-CYBMUJFWSA-N 2 2 301.228 1.851 10 0 DDAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000105862597 194149993 /nfs/dbraw/zinc/14/99/93/194149993.db2.gz ZVKOIJMTYLBQFJ-CYBMUJFWSA-N 2 2 324.469 1.892 10 0 DDAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000105862597 194149995 /nfs/dbraw/zinc/14/99/95/194149995.db2.gz ZVKOIJMTYLBQFJ-CYBMUJFWSA-N 2 2 324.469 1.892 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)cn2c1 ZINC000105912101 194170032 /nfs/dbraw/zinc/17/00/32/194170032.db2.gz OROCMNCBXDIKKJ-HUUCEWRRSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)cn2c1 ZINC000105912101 194170033 /nfs/dbraw/zinc/17/00/33/194170033.db2.gz OROCMNCBXDIKKJ-HUUCEWRRSA-N 2 2 302.422 1.530 10 0 DDAELP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000061982935 184199996 /nfs/dbraw/zinc/19/99/96/184199996.db2.gz BOYQDCSDNUPXBT-AWEZNQCLSA-N 2 2 315.483 1.017 10 0 DDAELP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000061982935 184199997 /nfs/dbraw/zinc/19/99/97/184199997.db2.gz BOYQDCSDNUPXBT-AWEZNQCLSA-N 2 2 315.483 1.017 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@@H+]1C[C@@H](C)O ZINC000120771872 195235214 /nfs/dbraw/zinc/23/52/14/195235214.db2.gz WBTCOVJQIYXEAB-HZPDHXFCSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@H+]1C[C@@H](C)O ZINC000120771872 195235216 /nfs/dbraw/zinc/23/52/16/195235216.db2.gz WBTCOVJQIYXEAB-HZPDHXFCSA-N 2 2 316.449 1.920 10 0 DDAELP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c2cccc(F)c2[nH+]1 ZINC000153023255 407736740 /nfs/dbraw/zinc/73/67/40/407736740.db2.gz JWAYCHDTOHWNPA-CYBMUJFWSA-N 2 2 319.380 1.787 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000117284205 407817204 /nfs/dbraw/zinc/81/72/04/407817204.db2.gz UXTVBAXNFDSYRR-DOTOQJQBSA-N 2 2 319.449 1.468 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000117284205 407817208 /nfs/dbraw/zinc/81/72/08/407817208.db2.gz UXTVBAXNFDSYRR-DOTOQJQBSA-N 2 2 319.449 1.468 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@H]12 ZINC000262540388 407862387 /nfs/dbraw/zinc/86/23/87/407862387.db2.gz QZBRCGCOEVNVQY-WCFLWFBJSA-N 2 2 303.362 1.023 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@H]12 ZINC000262540388 407862393 /nfs/dbraw/zinc/86/23/93/407862393.db2.gz QZBRCGCOEVNVQY-WCFLWFBJSA-N 2 2 303.362 1.023 10 0 DDAELP C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000262497886 407850389 /nfs/dbraw/zinc/85/03/89/407850389.db2.gz LQNFWVBHYIQYLO-CYBMUJFWSA-N 2 2 305.378 1.428 10 0 DDAELP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000262497886 407850394 /nfs/dbraw/zinc/85/03/94/407850394.db2.gz LQNFWVBHYIQYLO-CYBMUJFWSA-N 2 2 305.378 1.428 10 0 DDAELP C[C@H]1C[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245956242 408110357 /nfs/dbraw/zinc/11/03/57/408110357.db2.gz WNBLJPZBEJBDIU-DRFQVBMSSA-N 2 2 306.454 1.347 10 0 DDAELP C[C@H]1C[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245956242 408110366 /nfs/dbraw/zinc/11/03/66/408110366.db2.gz WNBLJPZBEJBDIU-DRFQVBMSSA-N 2 2 306.454 1.347 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)n(C)n1 ZINC000182349088 408132134 /nfs/dbraw/zinc/13/21/34/408132134.db2.gz MJDVVLKKJXTLGI-ILXRZTDVSA-N 2 2 319.453 1.296 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)n(C)n1 ZINC000182349088 408132138 /nfs/dbraw/zinc/13/21/38/408132138.db2.gz MJDVVLKKJXTLGI-ILXRZTDVSA-N 2 2 319.453 1.296 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000246414332 408249069 /nfs/dbraw/zinc/24/90/69/408249069.db2.gz SAOZLIABDJAFEK-SJORKVTESA-N 2 2 323.481 1.619 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000246414332 408249072 /nfs/dbraw/zinc/24/90/72/408249072.db2.gz SAOZLIABDJAFEK-SJORKVTESA-N 2 2 323.481 1.619 10 0 DDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000177039362 408503144 /nfs/dbraw/zinc/50/31/44/408503144.db2.gz XFONRDAQQSMBOH-OAHLLOKOSA-N 2 2 313.405 1.824 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000248003137 408525228 /nfs/dbraw/zinc/52/52/28/408525228.db2.gz KPHVFIVATCJMFP-JZXOWHBKSA-N 2 2 323.481 1.166 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000248003137 408525232 /nfs/dbraw/zinc/52/52/32/408525232.db2.gz KPHVFIVATCJMFP-JZXOWHBKSA-N 2 2 323.481 1.166 10 0 DDAELP O[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+]1CCOCC1 ZINC000301723589 410780630 /nfs/dbraw/zinc/78/06/30/410780630.db2.gz LAICBHSFUQHZDF-CYBMUJFWSA-N 2 2 305.353 1.479 10 0 DDAELP C[NH+](C)C[C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)CCO1 ZINC000132295850 196242529 /nfs/dbraw/zinc/24/25/29/196242529.db2.gz DZOBRSGMZRURTB-QGZVFWFLSA-N 2 2 314.433 1.694 10 0 DDAELP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000333023273 298313914 /nfs/dbraw/zinc/31/39/14/298313914.db2.gz FFPVWKPSEGSXNS-OAGGEKHMSA-N 2 2 317.437 1.684 10 0 DDAELP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000333023273 298313916 /nfs/dbraw/zinc/31/39/16/298313916.db2.gz FFPVWKPSEGSXNS-OAGGEKHMSA-N 2 2 317.437 1.684 10 0 DDAELP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000261988027 303372958 /nfs/dbraw/zinc/37/29/58/303372958.db2.gz JXCBRBJMHAJIBD-LBPRGKRZSA-N 2 2 315.368 1.098 10 0 DDAELP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000261988027 303372959 /nfs/dbraw/zinc/37/29/59/303372959.db2.gz JXCBRBJMHAJIBD-LBPRGKRZSA-N 2 2 315.368 1.098 10 0 DDAELP COc1ccc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262130942 484264171 /nfs/dbraw/zinc/26/41/71/484264171.db2.gz NYTDZUYHEQDGDW-GXFFZTMASA-N 2 2 315.211 1.128 10 0 DDAELP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCOCC1 ZINC000262037697 698451371 /nfs/dbraw/zinc/45/13/71/698451371.db2.gz PVUACMFTQQOMSU-OAHLLOKOSA-N 2 2 323.462 1.146 10 0 DDAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccon3)C2)ccn1 ZINC000886026733 708683835 /nfs/dbraw/zinc/68/38/35/708683835.db2.gz RRCFFKIFJZWTCF-INIZCTEOSA-N 2 2 302.378 1.785 10 0 DDAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccon3)C2)ccn1 ZINC000886026733 708683838 /nfs/dbraw/zinc/68/38/38/708683838.db2.gz RRCFFKIFJZWTCF-INIZCTEOSA-N 2 2 302.378 1.785 10 0 DDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(CC)n2C)[C@H](C)C1 ZINC000248860563 282112264 /nfs/dbraw/zinc/11/22/64/282112264.db2.gz ACTYJEAJUIQJJN-HUUCEWRRSA-N 2 2 323.485 1.604 10 0 DDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(CC)n2C)[C@H](C)C1 ZINC000248860563 282112267 /nfs/dbraw/zinc/11/22/67/282112267.db2.gz ACTYJEAJUIQJJN-HUUCEWRRSA-N 2 2 323.485 1.604 10 0 DDAELP NNc1nc(NCC[NH+]2CCCCC2)c(Br)c[nH+]1 ZINC000087866092 185233882 /nfs/dbraw/zinc/23/38/82/185233882.db2.gz BHIGIUJXINJLNR-UHFFFAOYSA-N 2 2 315.219 1.423 10 0 DDAELP c1cc(COC[C@H]2C[NH2+]C[C@@H](C[NH+]3CCCCC3)N2)ccn1 ZINC000136461913 354116928 /nfs/dbraw/zinc/11/69/28/354116928.db2.gz XZRIVNHQJIEVPS-DLBZAZTESA-N 2 2 304.438 1.014 10 0 DDAELP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000091512055 193067369 /nfs/dbraw/zinc/06/73/69/193067369.db2.gz NQHCTVIOFALASR-JKSUJKDBSA-N 2 2 304.438 1.536 10 0 DDAELP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000091512055 193067370 /nfs/dbraw/zinc/06/73/70/193067370.db2.gz NQHCTVIOFALASR-JKSUJKDBSA-N 2 2 304.438 1.536 10 0 DDAELP CCc1nn(CC)c(C[C@H](C[NH+](C)C)[NH2+]C)c1Br ZINC000091719707 193097202 /nfs/dbraw/zinc/09/72/02/193097202.db2.gz QKYPJJFYVCRYEE-SNVBAGLBSA-N 2 2 317.275 1.920 10 0 DDAELP COc1cc(C[NH3+])cc(Cl)c1OC[C@H]1C[N@H+](C)CCO1 ZINC000092053984 193149928 /nfs/dbraw/zinc/14/99/28/193149928.db2.gz DMUHGXMEWADRSK-LLVKDONJSA-N 2 2 300.786 1.517 10 0 DDAELP COc1cc(C[NH3+])cc(Cl)c1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092053984 193149930 /nfs/dbraw/zinc/14/99/30/193149930.db2.gz DMUHGXMEWADRSK-LLVKDONJSA-N 2 2 300.786 1.517 10 0 DDAELP C[N@H+](CCc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000093267755 193223035 /nfs/dbraw/zinc/22/30/35/193223035.db2.gz IMBDBHBGKGCEDN-AWEZNQCLSA-N 2 2 309.479 1.952 10 0 DDAELP C[N@@H+](CCc1cccs1)[C@H](C[NH3+])CC(=O)N1CCCCC1 ZINC000093267755 193223037 /nfs/dbraw/zinc/22/30/37/193223037.db2.gz IMBDBHBGKGCEDN-AWEZNQCLSA-N 2 2 309.479 1.952 10 0 DDAELP [NH3+][C@@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094508322 193375483 /nfs/dbraw/zinc/37/54/83/193375483.db2.gz JMTRVDFPICHMEK-UONOGXRCSA-N 2 2 300.233 1.863 10 0 DDAELP C[NH2+][C@H]1c2ccc(Sc3nc(N)cc(N)[nH+]3)cc2NC1=O ZINC000041023856 183156544 /nfs/dbraw/zinc/15/65/44/183156544.db2.gz FZWLUZJOSNTMNN-NSHDSACASA-N 2 2 302.363 1.005 10 0 DDAELP C[C@H](Cn1cc[nH+]c1)Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000043408887 183360360 /nfs/dbraw/zinc/36/03/60/183360360.db2.gz UGFWMRAMMULEEN-SNVBAGLBSA-N 2 2 301.419 1.902 10 0 DDAELP CN(CCC[NH+](C)C)c1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000111139037 194394771 /nfs/dbraw/zinc/39/47/71/194394771.db2.gz IWWYAMHYAPZACX-UHFFFAOYSA-N 2 2 306.479 1.983 10 0 DDAELP CN(CCCn1cc[nH+]c1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000154927724 197006357 /nfs/dbraw/zinc/00/63/57/197006357.db2.gz VLOMNNUCVQTKOQ-KRWDZBQOSA-N 2 2 314.433 1.905 10 0 DDAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)CCCOC)C12CCOCC2 ZINC000186358673 286281316 /nfs/dbraw/zinc/28/13/16/286281316.db2.gz DPYQTIFZBRLVFI-HZPDHXFCSA-N 2 2 314.470 1.519 10 0 DDAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)CCCOC)C12CCOCC2 ZINC000186358673 286281318 /nfs/dbraw/zinc/28/13/18/286281318.db2.gz DPYQTIFZBRLVFI-HZPDHXFCSA-N 2 2 314.470 1.519 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1[NH3+] ZINC000262032280 407718129 /nfs/dbraw/zinc/71/81/29/407718129.db2.gz OEDFGWXXVVAAOV-BBRMVZONSA-N 2 2 300.406 1.778 10 0 DDAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1[NH3+] ZINC000262032280 407718135 /nfs/dbraw/zinc/71/81/35/407718135.db2.gz OEDFGWXXVVAAOV-BBRMVZONSA-N 2 2 300.406 1.778 10 0 DDAELP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263133414 408035034 /nfs/dbraw/zinc/03/50/34/408035034.db2.gz BWZLQLCQAQLFBB-GJZGRUSLSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263133414 408035038 /nfs/dbraw/zinc/03/50/38/408035038.db2.gz BWZLQLCQAQLFBB-GJZGRUSLSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263015832 408004282 /nfs/dbraw/zinc/00/42/82/408004282.db2.gz QHZMGHAOFSHPJB-AWEZNQCLSA-N 2 2 324.375 1.159 10 0 DDAELP COc1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263267984 408082278 /nfs/dbraw/zinc/08/22/78/408082278.db2.gz RVQPMTBICRTESU-JQWIXIFHSA-N 2 2 315.211 1.128 10 0 DDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246672701 408316066 /nfs/dbraw/zinc/31/60/66/408316066.db2.gz HYMATLWMAWACDB-HLLBOEOZSA-N 2 2 319.449 1.203 10 0 DDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246672701 408316070 /nfs/dbraw/zinc/31/60/70/408316070.db2.gz HYMATLWMAWACDB-HLLBOEOZSA-N 2 2 319.449 1.203 10 0 DDAELP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178285714 408798450 /nfs/dbraw/zinc/79/84/50/408798450.db2.gz FVJYLLKYXRERSW-CQSZACIVSA-N 2 2 316.409 1.635 10 0 DDAELP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178285714 408798458 /nfs/dbraw/zinc/79/84/58/408798458.db2.gz FVJYLLKYXRERSW-CQSZACIVSA-N 2 2 316.409 1.635 10 0 DDAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420872 163051949 /nfs/dbraw/zinc/05/19/49/163051949.db2.gz MZTJDWRIJJCWQX-CQSZACIVSA-N 2 2 317.393 1.458 10 0 DDAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420872 163051952 /nfs/dbraw/zinc/05/19/52/163051952.db2.gz MZTJDWRIJJCWQX-CQSZACIVSA-N 2 2 317.393 1.458 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516120 163326891 /nfs/dbraw/zinc/32/68/91/163326891.db2.gz KZHVCVBPTHNTRN-OAHLLOKOSA-N 2 2 304.438 1.896 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCC(C)C)C2)[nH+]1 ZINC000195516120 163326894 /nfs/dbraw/zinc/32/68/94/163326894.db2.gz KZHVCVBPTHNTRN-OAHLLOKOSA-N 2 2 304.438 1.896 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)c2ccccc2C1=O ZINC000176083851 697401357 /nfs/dbraw/zinc/40/13/57/697401357.db2.gz YTYYKCGXXCIZDA-CQSZACIVSA-N 2 2 324.384 1.910 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)c2ccccc2C1=O ZINC000176083851 697401358 /nfs/dbraw/zinc/40/13/58/697401358.db2.gz YTYYKCGXXCIZDA-CQSZACIVSA-N 2 2 324.384 1.910 10 0 DDAELP COC(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1[NH+](C)C ZINC000299779819 354457584 /nfs/dbraw/zinc/45/75/84/354457584.db2.gz AOTDSOUNZBPUPB-JKSUJKDBSA-N 2 2 305.422 1.787 10 0 DDAELP COC(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1[NH+](C)C ZINC000299779819 354457585 /nfs/dbraw/zinc/45/75/85/354457585.db2.gz AOTDSOUNZBPUPB-JKSUJKDBSA-N 2 2 305.422 1.787 10 0 DDAELP CNC(=O)C[C@H](C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000091315139 193039147 /nfs/dbraw/zinc/03/91/47/193039147.db2.gz ZYYQTCGQNYFEMC-GFCCVEGCSA-N 2 2 314.227 1.344 10 0 DDAELP CNC(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000091315139 193039150 /nfs/dbraw/zinc/03/91/50/193039150.db2.gz ZYYQTCGQNYFEMC-GFCCVEGCSA-N 2 2 314.227 1.344 10 0 DDAELP CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666631 193088638 /nfs/dbraw/zinc/08/86/38/193088638.db2.gz XKHIWFKSMXHFOD-CHWSQXEVSA-N 2 2 309.435 1.659 10 0 DDAELP CC(=O)Nc1ccsc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666631 193088640 /nfs/dbraw/zinc/08/86/40/193088640.db2.gz XKHIWFKSMXHFOD-CHWSQXEVSA-N 2 2 309.435 1.659 10 0 DDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696639 193291938 /nfs/dbraw/zinc/29/19/38/193291938.db2.gz NFQKHLHGRXPYIW-GJZGRUSLSA-N 2 2 319.515 1.224 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH2+]C)[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894501 193325983 /nfs/dbraw/zinc/32/59/83/193325983.db2.gz QRUWPVNJVQRONA-GXTWGEPZSA-N 2 2 313.877 1.012 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH2+]C)[C@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894501 193325985 /nfs/dbraw/zinc/32/59/85/193325985.db2.gz QRUWPVNJVQRONA-GXTWGEPZSA-N 2 2 313.877 1.012 10 0 DDAELP Cc1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)nc1 ZINC000040757009 183129840 /nfs/dbraw/zinc/12/98/40/183129840.db2.gz JCDOAUATXSKZRK-UHFFFAOYSA-N 2 2 314.397 1.080 10 0 DDAELP C[NH2+][C@H](C)c1sc(N2CC[C@@H]([NH+]3CCOCC3)C2)nc1C ZINC000062975222 184263563 /nfs/dbraw/zinc/26/35/63/184263563.db2.gz RULPOTCCGKDFPL-DGCLKSJQSA-N 2 2 310.467 1.643 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@@H+]1C[C@H](C)O ZINC000245786796 408069124 /nfs/dbraw/zinc/06/91/24/408069124.db2.gz VJDRNJUXYFCMQR-HOTGVXAUSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@H+]1C[C@H](C)O ZINC000245786796 408069126 /nfs/dbraw/zinc/06/91/26/408069126.db2.gz VJDRNJUXYFCMQR-HOTGVXAUSA-N 2 2 316.449 1.920 10 0 DDAELP Cc1ccc([C@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000175547174 408158334 /nfs/dbraw/zinc/15/83/34/408158334.db2.gz VAKJDIIROPYISG-AWEZNQCLSA-N 2 2 322.453 1.974 10 0 DDAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000175945200 408247847 /nfs/dbraw/zinc/24/78/47/408247847.db2.gz QBTKMWGRDAGIJD-OAHLLOKOSA-N 2 2 320.437 1.277 10 0 DDAELP CCOCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000175945200 408247851 /nfs/dbraw/zinc/24/78/51/408247851.db2.gz QBTKMWGRDAGIJD-OAHLLOKOSA-N 2 2 320.437 1.277 10 0 DDAELP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000194232852 163277884 /nfs/dbraw/zinc/27/78/84/163277884.db2.gz BYLBBJFYGOTLHC-ZBFHGGJFSA-N 2 2 305.422 1.126 10 0 DDAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637533111 422263190 /nfs/dbraw/zinc/26/31/90/422263190.db2.gz RPAIVAINMOOQPX-KBPBESRZSA-N 2 2 305.426 1.181 10 0 DDAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637533111 422263193 /nfs/dbraw/zinc/26/31/93/422263193.db2.gz RPAIVAINMOOQPX-KBPBESRZSA-N 2 2 305.426 1.181 10 0 DDAELP CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000344707750 272095700 /nfs/dbraw/zinc/09/57/00/272095700.db2.gz JQXQNIZXCGSFGG-DLBZAZTESA-N 2 2 301.390 1.762 10 0 DDAELP CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000344707750 272095703 /nfs/dbraw/zinc/09/57/03/272095703.db2.gz JQXQNIZXCGSFGG-DLBZAZTESA-N 2 2 301.390 1.762 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000246994323 282027833 /nfs/dbraw/zinc/02/78/33/282027833.db2.gz KIDGCUHHLCZICS-GVDBMIGSSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000246994323 282027837 /nfs/dbraw/zinc/02/78/37/282027837.db2.gz KIDGCUHHLCZICS-GVDBMIGSSA-N 2 2 323.437 1.212 10 0 DDAELP CCc1noc([C@]2(O)CC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000377834327 302240552 /nfs/dbraw/zinc/24/05/52/302240552.db2.gz KQHHRABMEBGKRI-INIZCTEOSA-N 2 2 313.361 1.373 10 0 DDAELP CCc1noc([C@]2(O)CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000377834327 302240555 /nfs/dbraw/zinc/24/05/55/302240555.db2.gz KQHHRABMEBGKRI-INIZCTEOSA-N 2 2 313.361 1.373 10 0 DDAELP C[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000157482419 524634078 /nfs/dbraw/zinc/63/40/78/524634078.db2.gz ORLRUCRRNOVFEL-HZPDHXFCSA-N 2 2 323.481 1.620 10 0 DDAELP CCC[NH+]1CCN(c2nc(C)[nH+]c3c2NC(=O)[C@H](C)N3)CC1 ZINC000224024133 697763908 /nfs/dbraw/zinc/76/39/08/697763908.db2.gz METXBYIEOZSYPF-JTQLQIEISA-N 2 2 304.398 1.070 10 0 DDAELP C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081902237 192336566 /nfs/dbraw/zinc/33/65/66/192336566.db2.gz IUZUMQQLABEQJM-CHWSQXEVSA-N 2 2 307.419 1.956 10 0 DDAELP Fc1ccc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cc1F ZINC000077120248 185110782 /nfs/dbraw/zinc/11/07/82/185110782.db2.gz RTQYOGKZPSBCJJ-UHFFFAOYSA-N 2 2 306.360 1.979 10 0 DDAELP COCc1noc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000181956783 199366987 /nfs/dbraw/zinc/36/69/87/199366987.db2.gz OSASXUANUTYMPF-AAEUAGOBSA-N 2 2 305.382 1.947 10 0 DDAELP COCc1noc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000181956783 199366988 /nfs/dbraw/zinc/36/69/88/199366988.db2.gz OSASXUANUTYMPF-AAEUAGOBSA-N 2 2 305.382 1.947 10 0 DDAELP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])[N@H+](C1CCC(O)CC1)C2 ZINC000071683825 191006573 /nfs/dbraw/zinc/00/65/73/191006573.db2.gz PSPJBCSGLKHRED-LEOMRAHMSA-N 3 2 303.450 1.867 10 0 DDAELP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])[N@@H+](C1CCC(O)CC1)C2 ZINC000071683825 191006575 /nfs/dbraw/zinc/00/65/75/191006575.db2.gz PSPJBCSGLKHRED-LEOMRAHMSA-N 3 2 303.450 1.867 10 0 DDAELP COc1cc2c(c(F)c1)CN(CCCn1cc[nH+]c1)[C@H]2C[NH3+] ZINC000071683454 191007147 /nfs/dbraw/zinc/00/71/47/191007147.db2.gz CLHKBHXLRUFRPP-INIZCTEOSA-N 2 2 304.369 1.937 10 0 DDAELP CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080644793 192176429 /nfs/dbraw/zinc/17/64/29/192176429.db2.gz WVYISGQMSCRPRK-NSHDSACASA-N 2 2 308.407 1.559 10 0 DDAELP CC[NH2+]CCC[C@H](C)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542791 192288423 /nfs/dbraw/zinc/28/84/23/192288423.db2.gz KLIZSPDDZSYJHK-JTQLQIEISA-N 2 2 305.348 1.891 10 0 DDAELP CC[NH2+]CCC[C@H](C)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542791 192288426 /nfs/dbraw/zinc/28/84/26/192288426.db2.gz KLIZSPDDZSYJHK-JTQLQIEISA-N 2 2 305.348 1.891 10 0 DDAELP Cc1oc(C[NH2+]C(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000088911411 192653751 /nfs/dbraw/zinc/65/37/51/192653751.db2.gz QLUSHYYBPRXYGO-UHFFFAOYSA-N 2 2 315.439 1.022 10 0 DDAELP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676942 199195051 /nfs/dbraw/zinc/19/50/51/199195051.db2.gz JNLHGVACAOZHOD-RYUDHWBXSA-N 2 2 315.377 1.367 10 0 DDAELP CN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195284012 201372311 /nfs/dbraw/zinc/37/23/11/201372311.db2.gz NUCUHJKFOPKJEU-CVEARBPZSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195284012 201372314 /nfs/dbraw/zinc/37/23/14/201372314.db2.gz NUCUHJKFOPKJEU-CVEARBPZSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195284012 201372316 /nfs/dbraw/zinc/37/23/16/201372316.db2.gz NUCUHJKFOPKJEU-CVEARBPZSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000195284012 201372318 /nfs/dbraw/zinc/37/23/18/201372318.db2.gz NUCUHJKFOPKJEU-CVEARBPZSA-N 2 2 302.422 1.066 10 0 DDAELP CCCCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000195218429 201361029 /nfs/dbraw/zinc/36/10/29/201361029.db2.gz HSDXQDMYEKFQDT-OAHLLOKOSA-N 2 2 308.426 1.085 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2C[N@H+](C)CCO2)c1Cl ZINC000091717415 193096898 /nfs/dbraw/zinc/09/68/98/193096898.db2.gz ABLFVFWPBDAWAD-GXFFZTMASA-N 2 2 300.834 1.319 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2C[N@@H+](C)CCO2)c1Cl ZINC000091717415 193096900 /nfs/dbraw/zinc/09/69/00/193096900.db2.gz ABLFVFWPBDAWAD-GXFFZTMASA-N 2 2 300.834 1.319 10 0 DDAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)(C)S(C)(=O)=O ZINC000093525400 193263656 /nfs/dbraw/zinc/26/36/56/193263656.db2.gz CADORZDRBYHSAL-AGUYFDCRSA-N 2 2 302.484 1.805 10 0 DDAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)(C)S(C)(=O)=O ZINC000093525400 193263658 /nfs/dbraw/zinc/26/36/58/193263658.db2.gz CADORZDRBYHSAL-AGUYFDCRSA-N 2 2 302.484 1.805 10 0 DDAELP Cc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093926100 193328828 /nfs/dbraw/zinc/32/88/28/193328828.db2.gz RPTRSPWJQNSBAT-WCQYABFASA-N 2 2 300.834 1.361 10 0 DDAELP Cc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093926100 193328830 /nfs/dbraw/zinc/32/88/30/193328830.db2.gz RPTRSPWJQNSBAT-WCQYABFASA-N 2 2 300.834 1.361 10 0 DDAELP [NH3+][C@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508433 193375557 /nfs/dbraw/zinc/37/55/57/193375557.db2.gz NGMZAEXPWWYUOA-KGLIPLIRSA-N 2 2 300.233 1.863 10 0 DDAELP Cc1ccsc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000094876500 193404603 /nfs/dbraw/zinc/40/46/03/193404603.db2.gz NHZKJGIIWKOUQP-AWEZNQCLSA-N 2 2 307.463 1.889 10 0 DDAELP Cc1ccsc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000094876500 193404605 /nfs/dbraw/zinc/40/46/05/193404605.db2.gz NHZKJGIIWKOUQP-AWEZNQCLSA-N 2 2 307.463 1.889 10 0 DDAELP CCCOc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1OCC ZINC000020968274 182257365 /nfs/dbraw/zinc/25/73/65/182257365.db2.gz ZMSRHXFOVPXVDC-AWEZNQCLSA-N 2 2 310.438 1.934 10 0 DDAELP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCS1 ZINC000131382677 248286312 /nfs/dbraw/zinc/28/63/12/248286312.db2.gz DXUVQGWUNGLRJJ-ZDUSSCGKSA-N 2 2 307.467 1.166 10 0 DDAELP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCS1 ZINC000131382677 248286314 /nfs/dbraw/zinc/28/63/14/248286314.db2.gz DXUVQGWUNGLRJJ-ZDUSSCGKSA-N 2 2 307.467 1.166 10 0 DDAELP Cc1ncc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)s1 ZINC000040998464 183155447 /nfs/dbraw/zinc/15/54/47/183155447.db2.gz ACSPXIDXNJAJMP-AWEZNQCLSA-N 2 2 308.451 1.284 10 0 DDAELP Cc1ncc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)s1 ZINC000040998464 183155448 /nfs/dbraw/zinc/15/54/48/183155448.db2.gz ACSPXIDXNJAJMP-AWEZNQCLSA-N 2 2 308.451 1.284 10 0 DDAELP CC[NH+](CC)CCNC(=O)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000041287422 183183517 /nfs/dbraw/zinc/18/35/17/183183517.db2.gz HIQDEXPBWRRAEN-UHFFFAOYSA-N 2 2 308.813 1.988 10 0 DDAELP Cn1cc[nH+]c1[C@H](NC(=O)CC[NH+](C)C)c1ccccc1F ZINC000041536436 183199671 /nfs/dbraw/zinc/19/96/71/183199671.db2.gz MYUCACZJJFPIJZ-OAHLLOKOSA-N 2 2 304.369 1.717 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981498 183391311 /nfs/dbraw/zinc/39/13/11/183391311.db2.gz VBPGECNEORMBLF-KKUMJFAQSA-N 2 2 300.443 1.617 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981498 183391313 /nfs/dbraw/zinc/39/13/13/183391313.db2.gz VBPGECNEORMBLF-KKUMJFAQSA-N 2 2 300.443 1.617 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000262566241 407867661 /nfs/dbraw/zinc/86/76/61/407867661.db2.gz WREZNEDFDLQUHC-SDDRHHMPSA-N 2 2 306.410 1.580 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000262566241 407867665 /nfs/dbraw/zinc/86/76/65/407867665.db2.gz WREZNEDFDLQUHC-SDDRHHMPSA-N 2 2 306.410 1.580 10 0 DDAELP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000238008912 407869441 /nfs/dbraw/zinc/86/94/41/407869441.db2.gz BEFTVXANLSGLEI-CVEARBPZSA-N 2 2 302.422 1.243 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000263222608 408065170 /nfs/dbraw/zinc/06/51/70/408065170.db2.gz MEROFUAHPIMZHJ-QWHCGFSZSA-N 2 2 301.381 1.318 10 0 DDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299614 408290935 /nfs/dbraw/zinc/29/09/35/408290935.db2.gz HXPRWIMOZQVZRY-GOEBONIOSA-N 2 2 320.433 1.955 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003134 408524203 /nfs/dbraw/zinc/52/42/03/408524203.db2.gz KPHVFIVATCJMFP-BQFCYCMXSA-N 2 2 323.481 1.166 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003134 408524211 /nfs/dbraw/zinc/52/42/11/408524211.db2.gz KPHVFIVATCJMFP-BQFCYCMXSA-N 2 2 323.481 1.166 10 0 DDAELP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000262365624 163814728 /nfs/dbraw/zinc/81/47/28/163814728.db2.gz KYWSFMBTSNDFHS-CYBMUJFWSA-N 2 2 303.406 1.313 10 0 DDAELP COc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c1 ZINC000643960684 423420048 /nfs/dbraw/zinc/42/00/48/423420048.db2.gz AAGDOTBBUQEORC-QGTPRVQTSA-N 2 2 320.433 1.651 10 0 DDAELP COc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c1 ZINC000643960684 423420051 /nfs/dbraw/zinc/42/00/51/423420051.db2.gz AAGDOTBBUQEORC-QGTPRVQTSA-N 2 2 320.433 1.651 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000262352870 277595608 /nfs/dbraw/zinc/59/56/08/277595608.db2.gz JIAQBSXAZRLUEI-YDHLFZDLSA-N 2 2 321.421 1.208 10 0 DDAELP CC[N@@H+]1CCC[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000112076056 281066443 /nfs/dbraw/zinc/06/64/43/281066443.db2.gz NYDOBOFZJRIMPN-GJZGRUSLSA-N 2 2 319.453 1.582 10 0 DDAELP CC[N@H+]1CCC[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000112076056 281066446 /nfs/dbraw/zinc/06/64/46/281066446.db2.gz NYDOBOFZJRIMPN-GJZGRUSLSA-N 2 2 319.453 1.582 10 0 DDAELP CN(C)c1[nH+]cccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244362 185562798 /nfs/dbraw/zinc/56/27/98/185562798.db2.gz DOSWPIWCBWNXCO-GFCCVEGCSA-N 2 2 302.300 1.628 10 0 DDAELP C[N@H+](Cc1ccc(Br)cc1)[C@@H](C[NH3+])CC(N)=O ZINC000091314715 193038354 /nfs/dbraw/zinc/03/83/54/193038354.db2.gz PPBUMDVMFHPAQE-LLVKDONJSA-N 2 2 300.200 1.084 10 0 DDAELP C[N@@H+](Cc1ccc(Br)cc1)[C@@H](C[NH3+])CC(N)=O ZINC000091314715 193038357 /nfs/dbraw/zinc/03/83/57/193038357.db2.gz PPBUMDVMFHPAQE-LLVKDONJSA-N 2 2 300.200 1.084 10 0 DDAELP [NH3+]Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094439528 193369511 /nfs/dbraw/zinc/36/95/11/193369511.db2.gz PNOVRQVORQJZTD-CQSZACIVSA-N 2 2 309.435 1.004 10 0 DDAELP [NH3+]Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000094439528 193369513 /nfs/dbraw/zinc/36/95/13/193369513.db2.gz PNOVRQVORQJZTD-CQSZACIVSA-N 2 2 309.435 1.004 10 0 DDAELP CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510294 193376240 /nfs/dbraw/zinc/37/62/40/193376240.db2.gz DSTZGMSNUGLSLR-JKSUJKDBSA-N 2 2 311.832 2.000 10 0 DDAELP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[NH+](CCO)CCO ZINC000042954085 183321899 /nfs/dbraw/zinc/32/18/99/183321899.db2.gz YAPDWFFQGHYVQM-GWCFXTLKSA-N 2 2 317.227 1.124 10 0 DDAELP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+](CCO)CCO ZINC000043021073 183329846 /nfs/dbraw/zinc/32/98/46/183329846.db2.gz IGGJWPZPGMWHQC-GXFFZTMASA-N 2 2 317.227 1.124 10 0 DDAELP COC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC(C)(C)O1 ZINC000284456827 218035470 /nfs/dbraw/zinc/03/54/70/218035470.db2.gz DNCQJXRVLBXIPL-OAHLLOKOSA-N 2 2 316.405 1.893 10 0 DDAELP COC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC(C)(C)O1 ZINC000284456827 218035473 /nfs/dbraw/zinc/03/54/73/218035473.db2.gz DNCQJXRVLBXIPL-OAHLLOKOSA-N 2 2 316.405 1.893 10 0 DDAELP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000105819555 194135659 /nfs/dbraw/zinc/13/56/59/194135659.db2.gz JXFDSTZWGBFKFB-UHFFFAOYSA-N 2 2 324.494 1.828 10 0 DDAELP CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000105819555 194135660 /nfs/dbraw/zinc/13/56/60/194135660.db2.gz JXFDSTZWGBFKFB-UHFFFAOYSA-N 2 2 324.494 1.828 10 0 DDAELP COC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915359 194168164 /nfs/dbraw/zinc/16/81/64/194168164.db2.gz XQMSLHGUCWYOAZ-YOEHRIQHSA-N 2 2 320.433 1.583 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000106454250 194215512 /nfs/dbraw/zinc/21/55/12/194215512.db2.gz KZSJEQWKZRTNGC-MRXNPFEDSA-N 2 2 300.406 1.562 10 0 DDAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096376 184206174 /nfs/dbraw/zinc/20/61/74/184206174.db2.gz MWFDHUDCBUBPNI-HUUCEWRRSA-N 2 2 317.499 1.122 10 0 DDAELP NC(=[NH2+])c1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000062980616 184264319 /nfs/dbraw/zinc/26/43/19/184264319.db2.gz GDLSBBKUTMXLRY-LBPRGKRZSA-N 2 2 308.813 1.535 10 0 DDAELP CCC[C@@H](C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000121952029 195379405 /nfs/dbraw/zinc/37/94/05/195379405.db2.gz BKNPXAURKLIJIJ-JKSUJKDBSA-N 2 2 312.502 1.105 10 0 DDAELP CCC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000121952029 195379407 /nfs/dbraw/zinc/37/94/07/195379407.db2.gz BKNPXAURKLIJIJ-JKSUJKDBSA-N 2 2 312.502 1.105 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262554192 407866169 /nfs/dbraw/zinc/86/61/69/407866169.db2.gz SZIXFPSJCMGBGM-AXFHLTTASA-N 2 2 323.418 1.142 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262554192 407866175 /nfs/dbraw/zinc/86/61/75/407866175.db2.gz SZIXFPSJCMGBGM-AXFHLTTASA-N 2 2 323.418 1.142 10 0 DDAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263097190 408023452 /nfs/dbraw/zinc/02/34/52/408023452.db2.gz YYXWEKVNRKUHTE-BPLDGKMQSA-N 2 2 323.387 1.935 10 0 DDAELP COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154542095 408047898 /nfs/dbraw/zinc/04/78/98/408047898.db2.gz DEKHJQDSIXABSD-HOTGVXAUSA-N 2 2 314.389 1.965 10 0 DDAELP COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154542095 408047903 /nfs/dbraw/zinc/04/79/03/408047903.db2.gz DEKHJQDSIXABSD-HOTGVXAUSA-N 2 2 314.389 1.965 10 0 DDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000151106639 408255605 /nfs/dbraw/zinc/25/56/05/408255605.db2.gz ODBIGLJCOKEDEJ-CABCVRRESA-N 2 2 318.421 1.111 10 0 DDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000151106639 408255610 /nfs/dbraw/zinc/25/56/10/408255610.db2.gz ODBIGLJCOKEDEJ-CABCVRRESA-N 2 2 318.421 1.111 10 0 DDAELP C[NH+](C)C[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000172394956 162273035 /nfs/dbraw/zinc/27/30/35/162273035.db2.gz ZLESPHBLFBOJGN-LLVKDONJSA-N 2 2 306.332 1.208 10 0 DDAELP CC[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000247124031 408412359 /nfs/dbraw/zinc/41/23/59/408412359.db2.gz JYGBOGWCOXACFN-DOTOQJQBSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000247124031 408412363 /nfs/dbraw/zinc/41/23/63/408412363.db2.gz JYGBOGWCOXACFN-DOTOQJQBSA-N 2 2 316.449 1.920 10 0 DDAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188420907 163052384 /nfs/dbraw/zinc/05/23/84/163052384.db2.gz MZTJDWRIJJCWQX-AWEZNQCLSA-N 2 2 317.393 1.458 10 0 DDAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188420907 163052387 /nfs/dbraw/zinc/05/23/87/163052387.db2.gz MZTJDWRIJJCWQX-AWEZNQCLSA-N 2 2 317.393 1.458 10 0 DDAELP CCC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000190219725 163132954 /nfs/dbraw/zinc/13/29/54/163132954.db2.gz KINIWWQRLLIHRN-KRWDZBQOSA-N 2 2 311.470 1.082 10 0 DDAELP CCC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000190219725 163132959 /nfs/dbraw/zinc/13/29/59/163132959.db2.gz KINIWWQRLLIHRN-KRWDZBQOSA-N 2 2 311.470 1.082 10 0 DDAELP Cc1ccc([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000129592615 196060778 /nfs/dbraw/zinc/06/07/78/196060778.db2.gz YBKIEWMQHUZQQN-AWEZNQCLSA-N 2 2 315.421 1.981 10 0 DDAELP C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184973722 297152138 /nfs/dbraw/zinc/15/21/38/297152138.db2.gz VYGYGHZKWHMFBE-UXLLHSPISA-N 2 2 319.449 1.515 10 0 DDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184973722 297152140 /nfs/dbraw/zinc/15/21/40/297152140.db2.gz VYGYGHZKWHMFBE-UXLLHSPISA-N 2 2 319.449 1.515 10 0 DDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540342 307272226 /nfs/dbraw/zinc/27/22/26/307272226.db2.gz OHPXAGSCLDYSHB-ZIAGYGMSSA-N 2 2 305.426 1.783 10 0 DDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540342 307272227 /nfs/dbraw/zinc/27/22/27/307272227.db2.gz OHPXAGSCLDYSHB-ZIAGYGMSSA-N 2 2 305.426 1.783 10 0 DDAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000092568112 484014522 /nfs/dbraw/zinc/01/45/22/484014522.db2.gz SQXLHUPEILYROJ-UYSNPLJNSA-N 2 2 323.481 1.476 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000261864404 484258689 /nfs/dbraw/zinc/25/86/89/484258689.db2.gz XGEUABOLDNHNGW-NVXWUHKLSA-N 2 2 317.433 1.832 10 0 DDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246724012 698354400 /nfs/dbraw/zinc/35/44/00/698354400.db2.gz XTBOGYJCJZHUMB-USXIJHARSA-N 2 2 319.449 1.238 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309718158 698666296 /nfs/dbraw/zinc/66/62/96/698666296.db2.gz MSFCHYNLLDRKBJ-BRWVUGGUSA-N 2 2 322.474 1.531 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309718158 698666299 /nfs/dbraw/zinc/66/62/99/698666299.db2.gz MSFCHYNLLDRKBJ-BRWVUGGUSA-N 2 2 322.474 1.531 10 0 DDAELP C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@H]1CCC[NH2+]C1 ZINC000720665961 699307724 /nfs/dbraw/zinc/30/77/24/699307724.db2.gz OGCAEPYZQLMKPI-UWVGGRQHSA-N 2 2 301.232 1.660 10 0 DDAELP O=C(NCc1ccn2cc[nH+]c2c1)c1cn[nH]c1[C@@H]1CCCC[NH2+]1 ZINC000864790348 706264189 /nfs/dbraw/zinc/26/41/89/706264189.db2.gz BIXPDPJOOWCIDK-AWEZNQCLSA-N 2 2 324.388 1.802 10 0 DDAELP C[C@H](Cn1cc[nH+]c1)Nc1nc(NN)[nH+]cc1Br ZINC000087865653 185233820 /nfs/dbraw/zinc/23/38/20/185233820.db2.gz QMHOJTKPZDOGBD-SSDOTTSWSA-N 2 2 312.175 1.222 10 0 DDAELP CCn1c[nH+]cc1[C@@H](C[NH3+])N1CCN(CC(F)(F)F)CC1 ZINC000090174327 185285034 /nfs/dbraw/zinc/28/50/34/185285034.db2.gz SUIJXNBMWATHAU-LLVKDONJSA-N 2 2 305.348 1.083 10 0 DDAELP C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1[NH3+] ZINC000261918919 282289231 /nfs/dbraw/zinc/28/92/31/282289231.db2.gz BLPUBUOQNUSXEY-JOYOIKCWSA-N 2 2 309.211 1.876 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328652373 354559215 /nfs/dbraw/zinc/55/92/15/354559215.db2.gz WKMJEUHYBMTVNW-LBPRGKRZSA-N 2 2 301.394 1.636 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328652373 354559217 /nfs/dbraw/zinc/55/92/17/354559217.db2.gz WKMJEUHYBMTVNW-LBPRGKRZSA-N 2 2 301.394 1.636 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328652372 354559325 /nfs/dbraw/zinc/55/93/25/354559325.db2.gz WKMJEUHYBMTVNW-GFCCVEGCSA-N 2 2 301.394 1.636 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328652372 354559326 /nfs/dbraw/zinc/55/93/26/354559326.db2.gz WKMJEUHYBMTVNW-GFCCVEGCSA-N 2 2 301.394 1.636 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123404 199120265 /nfs/dbraw/zinc/12/02/65/199120265.db2.gz FHTQXOFUEPDQGI-OAHLLOKOSA-N 2 2 315.421 1.886 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123404 199120266 /nfs/dbraw/zinc/12/02/66/199120266.db2.gz FHTQXOFUEPDQGI-OAHLLOKOSA-N 2 2 315.421 1.886 10 0 DDAELP CCCCOC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000193378032 201041694 /nfs/dbraw/zinc/04/16/94/201041694.db2.gz CFBYVLOJFZQCAT-OAHLLOKOSA-N 2 2 323.437 1.390 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257122 201367868 /nfs/dbraw/zinc/36/78/68/201367868.db2.gz WRSCMWIWQHERFX-UONOGXRCSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257122 201367871 /nfs/dbraw/zinc/36/78/71/201367871.db2.gz WRSCMWIWQHERFX-UONOGXRCSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257122 201367875 /nfs/dbraw/zinc/36/78/75/201367875.db2.gz WRSCMWIWQHERFX-UONOGXRCSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257122 201367878 /nfs/dbraw/zinc/36/78/78/201367878.db2.gz WRSCMWIWQHERFX-UONOGXRCSA-N 2 2 324.494 1.682 10 0 DDAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093523435 193264149 /nfs/dbraw/zinc/26/41/49/193264149.db2.gz IUJYTKCEJGSGFG-ZIAGYGMSSA-N 2 2 304.500 1.910 10 0 DDAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093523435 193264152 /nfs/dbraw/zinc/26/41/52/193264152.db2.gz IUJYTKCEJGSGFG-ZIAGYGMSSA-N 2 2 304.500 1.910 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@H]1C[N@H+](C)CCN1C ZINC000093894753 193324877 /nfs/dbraw/zinc/32/48/77/193324877.db2.gz WDJWBTVTSRNJKZ-GXTWGEPZSA-N 2 2 313.877 1.241 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@H]1C[N@@H+](C)CCN1C ZINC000093894753 193324879 /nfs/dbraw/zinc/32/48/79/193324879.db2.gz WDJWBTVTSRNJKZ-GXTWGEPZSA-N 2 2 313.877 1.241 10 0 DDAELP O=C(NCCc1nccs1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000063135077 184272901 /nfs/dbraw/zinc/27/29/01/184272901.db2.gz CBGWEHIQAYKCSW-ZDUSSCGKSA-N 2 2 308.451 1.018 10 0 DDAELP O=C(NCCc1nccs1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000063135077 184272902 /nfs/dbraw/zinc/27/29/02/184272902.db2.gz CBGWEHIQAYKCSW-ZDUSSCGKSA-N 2 2 308.451 1.018 10 0 DDAELP c1csc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000253596287 257105515 /nfs/dbraw/zinc/10/55/15/257105515.db2.gz PIPNBQUGPINKBM-OIISXLGYSA-N 2 2 322.474 1.917 10 0 DDAELP c1csc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000253596287 257105516 /nfs/dbraw/zinc/10/55/16/257105516.db2.gz PIPNBQUGPINKBM-OIISXLGYSA-N 2 2 322.474 1.917 10 0 DDAELP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261915751 407669016 /nfs/dbraw/zinc/66/90/16/407669016.db2.gz JPAGLCZDCQJDQE-GVDBMIGSSA-N 2 2 314.433 1.889 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000262364019 407810920 /nfs/dbraw/zinc/81/09/20/407810920.db2.gz VWSSRJAIAWAYCK-DOMZBBRYSA-N 2 2 309.385 1.005 10 0 DDAELP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262401962 407824349 /nfs/dbraw/zinc/82/43/49/407824349.db2.gz CJFVGEQNHICPRH-SUHUHFCYSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262401962 407824354 /nfs/dbraw/zinc/82/43/54/407824354.db2.gz CJFVGEQNHICPRH-SUHUHFCYSA-N 2 2 323.824 1.956 10 0 DDAELP CC(C)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121490434 408224594 /nfs/dbraw/zinc/22/45/94/408224594.db2.gz NIEMUJNESAKZFS-PMRDEQMMSA-N 2 2 322.497 1.983 10 0 DDAELP CC(C)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121490434 408224599 /nfs/dbraw/zinc/22/45/99/408224599.db2.gz NIEMUJNESAKZFS-PMRDEQMMSA-N 2 2 322.497 1.983 10 0 DDAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc[nH+]c(C3CC3)n2)CC1 ZINC000150933672 408228426 /nfs/dbraw/zinc/22/84/26/408228426.db2.gz OAQUSEYWFQXMSR-UHFFFAOYSA-N 2 2 317.437 1.248 10 0 DDAELP C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000151175354 408272491 /nfs/dbraw/zinc/27/24/91/408272491.db2.gz PGWKQESCVLFOJI-BBRMVZONSA-N 2 2 309.454 1.229 10 0 DDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167970834 162177442 /nfs/dbraw/zinc/17/74/42/162177442.db2.gz XTBOGYJCJZHUMB-BHYGNILZSA-N 2 2 319.449 1.238 10 0 DDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC[C@H]1CCCO1 ZINC000247374784 408460267 /nfs/dbraw/zinc/46/02/67/408460267.db2.gz ODBIGLJCOKEDEJ-LSDHHAIUSA-N 2 2 318.421 1.111 10 0 DDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC[C@H]1CCCO1 ZINC000247374784 408460274 /nfs/dbraw/zinc/46/02/74/408460274.db2.gz ODBIGLJCOKEDEJ-LSDHHAIUSA-N 2 2 318.421 1.111 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171100197 298228516 /nfs/dbraw/zinc/22/85/16/298228516.db2.gz JXWPFISCHYSLGS-AWEZNQCLSA-N 2 2 314.474 1.127 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171100197 298228519 /nfs/dbraw/zinc/22/85/19/298228519.db2.gz JXWPFISCHYSLGS-AWEZNQCLSA-N 2 2 314.474 1.127 10 0 DDAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000261614940 484252240 /nfs/dbraw/zinc/25/22/40/484252240.db2.gz ABMUHACOYRPXMR-RHSMWYFYSA-N 3 2 322.497 1.036 10 0 DDAELP CCOC(=O)c1cnn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000133363889 696825382 /nfs/dbraw/zinc/82/53/82/696825382.db2.gz ZBUPZDURDNSJFL-OAHLLOKOSA-N 2 2 317.393 1.687 10 0 DDAELP CCOC(=O)c1cnn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000133363889 696825385 /nfs/dbraw/zinc/82/53/85/696825385.db2.gz ZBUPZDURDNSJFL-OAHLLOKOSA-N 2 2 317.393 1.687 10 0 DDAELP COC(C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1)OC ZINC000195264722 697737234 /nfs/dbraw/zinc/73/72/34/697737234.db2.gz QYJGCTALNSAKOB-CYBMUJFWSA-N 2 2 313.467 1.824 10 0 DDAELP COC(C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1)OC ZINC000195264722 697737236 /nfs/dbraw/zinc/73/72/36/697737236.db2.gz QYJGCTALNSAKOB-CYBMUJFWSA-N 2 2 313.467 1.824 10 0 DDAELP COC(C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1)OC ZINC000195264722 697737238 /nfs/dbraw/zinc/73/72/38/697737238.db2.gz QYJGCTALNSAKOB-CYBMUJFWSA-N 2 2 313.467 1.824 10 0 DDAELP COC(C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1)OC ZINC000195264722 697737239 /nfs/dbraw/zinc/73/72/39/697737239.db2.gz QYJGCTALNSAKOB-CYBMUJFWSA-N 2 2 313.467 1.824 10 0 DDAELP CC[N@@H+]1CCC[C@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087865484 185233927 /nfs/dbraw/zinc/23/39/27/185233927.db2.gz QIUAMBNUXFRPFA-QMMMGPOBSA-N 2 2 315.219 1.421 10 0 DDAELP CC[N@H+]1CCC[C@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087865484 185233928 /nfs/dbraw/zinc/23/39/28/185233928.db2.gz QIUAMBNUXFRPFA-QMMMGPOBSA-N 2 2 315.219 1.421 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)NCc1ccccc1Cl ZINC000090328033 185291262 /nfs/dbraw/zinc/29/12/62/185291262.db2.gz CIKZAUYPNJWBHY-BNOWGMLFSA-N 2 2 307.825 1.496 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000090328033 185291263 /nfs/dbraw/zinc/29/12/63/185291263.db2.gz CIKZAUYPNJWBHY-BNOWGMLFSA-N 2 2 307.825 1.496 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000092713925 185335965 /nfs/dbraw/zinc/33/59/65/185335965.db2.gz SVQOJGNERQVQBN-JQWIXIFHSA-N 2 2 307.360 1.647 10 0 DDAELP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000193376219 201040599 /nfs/dbraw/zinc/04/05/99/201040599.db2.gz UFQQIVKOMZPXNB-CVEARBPZSA-N 2 2 307.438 1.993 10 0 DDAELP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000193376219 201040602 /nfs/dbraw/zinc/04/06/02/201040602.db2.gz UFQQIVKOMZPXNB-CVEARBPZSA-N 2 2 307.438 1.993 10 0 DDAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510522 193375245 /nfs/dbraw/zinc/37/52/45/193375245.db2.gz QGBHCRDZOVYVOJ-JKSUJKDBSA-N 2 2 308.857 1.646 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636281928 422775663 /nfs/dbraw/zinc/77/56/63/422775663.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 2 2 318.421 1.271 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000636281928 422775672 /nfs/dbraw/zinc/77/56/72/422775672.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 2 2 318.421 1.271 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636281928 422775678 /nfs/dbraw/zinc/77/56/78/422775678.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 2 2 318.421 1.271 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000636281928 422775683 /nfs/dbraw/zinc/77/56/83/422775683.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 2 2 318.421 1.271 10 0 DDAELP CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536821 184173196 /nfs/dbraw/zinc/17/31/96/184173196.db2.gz JSZFQTFAUKRJFQ-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP CC[N@H+]1CCC[C@H]1CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536821 184173197 /nfs/dbraw/zinc/17/31/97/184173197.db2.gz JSZFQTFAUKRJFQ-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048443 407724046 /nfs/dbraw/zinc/72/40/46/407724046.db2.gz ZIWQYBNBJRHJGG-IPMKNSEASA-N 2 2 317.477 1.865 10 0 DDAELP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048443 407724050 /nfs/dbraw/zinc/72/40/50/407724050.db2.gz ZIWQYBNBJRHJGG-IPMKNSEASA-N 2 2 317.477 1.865 10 0 DDAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000171628040 407725576 /nfs/dbraw/zinc/72/55/76/407725576.db2.gz PUIBNUFVFKWJKU-NEPJUHHUSA-N 2 2 307.398 1.028 10 0 DDAELP COC[C@@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000262271322 407782388 /nfs/dbraw/zinc/78/23/88/407782388.db2.gz KKJGEASJXOPUIZ-OLZOCXBDSA-N 2 2 322.796 1.253 10 0 DDAELP CC[C@H](O)C[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000118856892 407953389 /nfs/dbraw/zinc/95/33/89/407953389.db2.gz ZKGGPEIVYOEQBD-SFHVURJKSA-N 2 2 314.433 1.761 10 0 DDAELP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964293 407985226 /nfs/dbraw/zinc/98/52/26/407985226.db2.gz LAJYZMLODOGDAE-AWEZNQCLSA-N 2 2 324.375 1.159 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000263212680 408059249 /nfs/dbraw/zinc/05/92/49/408059249.db2.gz KLOQQYQVALAFLR-JOYOIKCWSA-N 2 2 303.175 1.258 10 0 DDAELP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263319179 408106623 /nfs/dbraw/zinc/10/66/23/408106623.db2.gz ZZGGQUKGHVAYDP-LBPRGKRZSA-N 2 2 312.364 1.198 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cncs3)CC2)C1 ZINC000121031516 408148172 /nfs/dbraw/zinc/14/81/72/408148172.db2.gz UVJZLVMMSQMXHJ-OAHLLOKOSA-N 2 2 324.494 1.370 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cncs3)CC2)C1 ZINC000121031516 408148177 /nfs/dbraw/zinc/14/81/77/408148177.db2.gz UVJZLVMMSQMXHJ-OAHLLOKOSA-N 2 2 324.494 1.370 10 0 DDAELP C[N@H+](CC1=CCCOC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121231087 408167628 /nfs/dbraw/zinc/16/76/28/408167628.db2.gz XHKGLSKENBVTOE-UHFFFAOYSA-N 2 2 304.438 1.626 10 0 DDAELP C[N@@H+](CC1=CCCOC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121231087 408167633 /nfs/dbraw/zinc/16/76/33/408167633.db2.gz XHKGLSKENBVTOE-UHFFFAOYSA-N 2 2 304.438 1.626 10 0 DDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000177364765 408589182 /nfs/dbraw/zinc/58/91/82/408589182.db2.gz GGTYZQZALCNORB-HNNXBMFYSA-N 2 2 319.453 1.773 10 0 DDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000177364765 408589185 /nfs/dbraw/zinc/58/91/85/408589185.db2.gz GGTYZQZALCNORB-HNNXBMFYSA-N 2 2 319.453 1.773 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C2)[nH+]1 ZINC000185264694 408788970 /nfs/dbraw/zinc/78/89/70/408788970.db2.gz NXITXWQKEXVKEQ-CYBMUJFWSA-N 2 2 316.409 1.773 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)C2)[nH+]1 ZINC000185264694 408788974 /nfs/dbraw/zinc/78/89/74/408788974.db2.gz NXITXWQKEXVKEQ-CYBMUJFWSA-N 2 2 316.409 1.773 10 0 DDAELP Cn1nncc1C[N@@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328629006 418607354 /nfs/dbraw/zinc/60/73/54/418607354.db2.gz HTFVXAFPLUUWGC-GFCCVEGCSA-N 2 2 301.398 1.259 10 0 DDAELP Cn1nncc1C[N@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328629006 418607357 /nfs/dbraw/zinc/60/73/57/418607357.db2.gz HTFVXAFPLUUWGC-GFCCVEGCSA-N 2 2 301.398 1.259 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000263084301 274390792 /nfs/dbraw/zinc/39/07/92/274390792.db2.gz XTMRIGCKLZASJH-BPLDGKMQSA-N 2 2 323.387 1.763 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000263084301 274390797 /nfs/dbraw/zinc/39/07/97/274390797.db2.gz XTMRIGCKLZASJH-BPLDGKMQSA-N 2 2 323.387 1.763 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991896 308207477 /nfs/dbraw/zinc/20/74/77/308207477.db2.gz AXQMOEMXMBAKOB-WDSOQIARSA-N 3 2 317.477 1.601 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991896 308207478 /nfs/dbraw/zinc/20/74/78/308207478.db2.gz AXQMOEMXMBAKOB-WDSOQIARSA-N 3 2 317.477 1.601 10 0 DDAELP Brc1csc(C[NH2+]CC[C@@H]2COCC[NH2+]2)c1 ZINC000087511052 185227379 /nfs/dbraw/zinc/22/73/79/185227379.db2.gz FQDXCXNUHINJEP-SNVBAGLBSA-N 2 2 305.241 1.979 10 0 DDAELP CC[NH2+][C@](C)(C[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435313 185250266 /nfs/dbraw/zinc/25/02/66/185250266.db2.gz DSUSTVKEDCHNKK-NTZNESFSSA-N 2 2 309.376 1.893 10 0 DDAELP CC[NH2+][C@](C)(C[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435313 185250267 /nfs/dbraw/zinc/25/02/67/185250267.db2.gz DSUSTVKEDCHNKK-NTZNESFSSA-N 2 2 309.376 1.893 10 0 DDAELP C[N@@H+]1CCc2nc(NC(=O)c3ccccc3C[NH3+])sc2C1 ZINC000071699677 191010021 /nfs/dbraw/zinc/01/00/21/191010021.db2.gz AVLHMIGUZUCYGZ-UHFFFAOYSA-N 2 2 302.403 1.842 10 0 DDAELP C[N@H+]1CCc2nc(NC(=O)c3ccccc3C[NH3+])sc2C1 ZINC000071699677 191010023 /nfs/dbraw/zinc/01/00/23/191010023.db2.gz AVLHMIGUZUCYGZ-UHFFFAOYSA-N 2 2 302.403 1.842 10 0 DDAELP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1C[C@@H](C)O ZINC000180085280 199116109 /nfs/dbraw/zinc/11/61/09/199116109.db2.gz HWNDFSJTLNRTMO-HUUCEWRRSA-N 2 2 302.422 1.611 10 0 DDAELP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1C[C@@H](C)O ZINC000180085280 199116110 /nfs/dbraw/zinc/11/61/10/199116110.db2.gz HWNDFSJTLNRTMO-HUUCEWRRSA-N 2 2 302.422 1.611 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC000195268966 201368850 /nfs/dbraw/zinc/36/88/50/201368850.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 2 2 310.467 1.293 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC000195268966 201368854 /nfs/dbraw/zinc/36/88/54/201368854.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 2 2 310.467 1.293 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000195268966 201368856 /nfs/dbraw/zinc/36/88/56/201368856.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 2 2 310.467 1.293 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC000195268966 201368860 /nfs/dbraw/zinc/36/88/60/201368860.db2.gz DDAGARSJSPHDFY-ZDUSSCGKSA-N 2 2 310.467 1.293 10 0 DDAELP C[N@@H+]1CCO[C@@H](COc2c(Br)cccc2C[NH3+])C1 ZINC000092054354 193150009 /nfs/dbraw/zinc/15/00/09/193150009.db2.gz PNRFLPFWNGOUTO-LLVKDONJSA-N 2 2 315.211 1.617 10 0 DDAELP C[N@H+]1CCO[C@@H](COc2c(Br)cccc2C[NH3+])C1 ZINC000092054354 193150010 /nfs/dbraw/zinc/15/00/10/193150010.db2.gz PNRFLPFWNGOUTO-LLVKDONJSA-N 2 2 315.211 1.617 10 0 DDAELP CC(C)C[NH2+]Cc1ccccc1C[N@H+](C)CCS(C)(=O)=O ZINC000094300860 193358280 /nfs/dbraw/zinc/35/82/80/193358280.db2.gz JNLJXMVSMMDRIX-UHFFFAOYSA-N 2 2 312.479 1.909 10 0 DDAELP CC(C)C[NH2+]Cc1ccccc1C[N@@H+](C)CCS(C)(=O)=O ZINC000094300860 193358282 /nfs/dbraw/zinc/35/82/82/193358282.db2.gz JNLJXMVSMMDRIX-UHFFFAOYSA-N 2 2 312.479 1.909 10 0 DDAELP C[NH2+][C@H](Cc1ccc(Br)cc1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509210 193375289 /nfs/dbraw/zinc/37/52/89/193375289.db2.gz NETRVZUZFWDYKZ-CABCVRRESA-N 2 2 324.266 1.579 10 0 DDAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510520 193375661 /nfs/dbraw/zinc/37/56/61/193375661.db2.gz QGBHCRDZOVYVOJ-HOTGVXAUSA-N 2 2 308.857 1.646 10 0 DDAELP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(C(=O)[C@@H]2CCCO2)C1 ZINC000096188303 284735521 /nfs/dbraw/zinc/73/55/21/284735521.db2.gz GNAYIUGBFREIHI-GJZGRUSLSA-N 2 2 320.437 1.362 10 0 DDAELP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000062324780 184230327 /nfs/dbraw/zinc/23/03/27/184230327.db2.gz WGXNUCPAPJJGNK-LLVKDONJSA-N 2 2 306.391 1.107 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@@H]1C ZINC000121679092 195328349 /nfs/dbraw/zinc/32/83/49/195328349.db2.gz MKQDVPNMPGGXDI-AWEZNQCLSA-N 2 2 306.410 1.965 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@@H]1C ZINC000121679092 195328351 /nfs/dbraw/zinc/32/83/51/195328351.db2.gz MKQDVPNMPGGXDI-AWEZNQCLSA-N 2 2 306.410 1.965 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000263226482 285386016 /nfs/dbraw/zinc/38/60/16/285386016.db2.gz GOXCMQRXIABAMF-JQWIXIFHSA-N 2 2 312.439 1.287 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000263226482 285386017 /nfs/dbraw/zinc/38/60/17/285386017.db2.gz GOXCMQRXIABAMF-JQWIXIFHSA-N 2 2 312.439 1.287 10 0 DDAELP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000261981428 296632383 /nfs/dbraw/zinc/63/23/83/296632383.db2.gz RSPASCIJLBIKCG-CAOSSQGBSA-N 3 2 304.438 1.507 10 0 DDAELP Cc1ccc([C@H](CNC(=O)C[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000261790428 407615851 /nfs/dbraw/zinc/61/58/51/407615851.db2.gz KIEUKULLOPKOPT-AAEUAGOBSA-N 2 2 311.451 1.283 10 0 DDAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000262014593 407709950 /nfs/dbraw/zinc/70/99/50/407709950.db2.gz VVIULVNFSFEXFZ-BBWFWOEESA-N 3 2 309.498 1.998 10 0 DDAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000171628031 407726959 /nfs/dbraw/zinc/72/69/59/407726959.db2.gz PUIBNUFVFKWJKU-RYUDHWBXSA-N 2 2 307.398 1.028 10 0 DDAELP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000116783887 407775246 /nfs/dbraw/zinc/77/52/46/407775246.db2.gz QTIVJOTWNCNUFM-MRXNPFEDSA-N 2 2 314.389 1.275 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000262322433 407799685 /nfs/dbraw/zinc/79/96/85/407799685.db2.gz QNPKZZFNEDCRTC-OAHLLOKOSA-N 2 2 316.405 1.967 10 0 DDAELP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262401957 407825951 /nfs/dbraw/zinc/82/59/51/407825951.db2.gz CJFVGEQNHICPRH-JKOKRWQUSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262401957 407825959 /nfs/dbraw/zinc/82/59/59/407825959.db2.gz CJFVGEQNHICPRH-JKOKRWQUSA-N 2 2 323.824 1.956 10 0 DDAELP C[NH+](C)C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)Cc2ccccc2C1 ZINC000263223114 408064880 /nfs/dbraw/zinc/06/48/80/408064880.db2.gz MHMFIABLEGFKSB-CQSZACIVSA-N 2 2 323.387 1.199 10 0 DDAELP C[N@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000120475809 408133131 /nfs/dbraw/zinc/13/31/31/408133131.db2.gz QZAHKTAKKIPEFH-OAHLLOKOSA-N 2 2 320.437 1.233 10 0 DDAELP C[N@@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000120475809 408133141 /nfs/dbraw/zinc/13/31/41/408133141.db2.gz QZAHKTAKKIPEFH-OAHLLOKOSA-N 2 2 320.437 1.233 10 0 DDAELP C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913711 408134498 /nfs/dbraw/zinc/13/44/98/408134498.db2.gz JYDCWTJVGVJOHH-LBPRGKRZSA-N 2 2 315.377 1.498 10 0 DDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(CC)n2C)[C@@H](C)C1 ZINC000189995835 408142300 /nfs/dbraw/zinc/14/23/00/408142300.db2.gz ACTYJEAJUIQJJN-LSDHHAIUSA-N 2 2 323.485 1.604 10 0 DDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(CC)n2C)[C@@H](C)C1 ZINC000189995835 408142306 /nfs/dbraw/zinc/14/23/06/408142306.db2.gz ACTYJEAJUIQJJN-LSDHHAIUSA-N 2 2 323.485 1.604 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](COC)C2CC2)nc[nH+]1 ZINC000246413125 408250028 /nfs/dbraw/zinc/25/00/28/408250028.db2.gz MORSUZDDASOMPB-ZIAGYGMSSA-N 2 2 305.426 1.502 10 0 DDAELP C[C@@H]1CC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000151175182 408271008 /nfs/dbraw/zinc/27/10/08/408271008.db2.gz PGWKQESCVLFOJI-CZUORRHYSA-N 2 2 309.454 1.229 10 0 DDAELP CC(C)c1nnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1C ZINC000182948241 408292311 /nfs/dbraw/zinc/29/23/11/408292311.db2.gz IDZLVDPTRFIWGV-UHFFFAOYSA-N 2 2 308.474 1.008 10 0 DDAELP CC(C)c1nnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1C ZINC000182948241 408292318 /nfs/dbraw/zinc/29/23/18/408292318.db2.gz IDZLVDPTRFIWGV-UHFFFAOYSA-N 2 2 308.474 1.008 10 0 DDAELP Cc1ccc([C@H](CNC(=O)C[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000176555720 408393667 /nfs/dbraw/zinc/39/36/67/408393667.db2.gz FXGZRAZQIQDSEF-ZDUSSCGKSA-N 2 2 311.451 1.108 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000247477804 408478925 /nfs/dbraw/zinc/47/89/25/408478925.db2.gz SIXPZAPZCWHNDU-CABCVRRESA-N 2 2 317.437 1.762 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000247477804 408478926 /nfs/dbraw/zinc/47/89/26/408478926.db2.gz SIXPZAPZCWHNDU-CABCVRRESA-N 2 2 317.437 1.762 10 0 DDAELP CN(C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000185264601 408788139 /nfs/dbraw/zinc/78/81/39/408788139.db2.gz RYIBFAMBKKATPO-GFCCVEGCSA-N 2 2 302.382 1.465 10 0 DDAELP CN(C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000185264601 408788140 /nfs/dbraw/zinc/78/81/40/408788140.db2.gz RYIBFAMBKKATPO-GFCCVEGCSA-N 2 2 302.382 1.465 10 0 DDAELP C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447266 422913892 /nfs/dbraw/zinc/91/38/92/422913892.db2.gz AVZHQPDYOLDSEF-UKRRQHHQSA-N 2 2 323.387 1.717 10 0 DDAELP C[C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447266 422913896 /nfs/dbraw/zinc/91/38/96/422913896.db2.gz AVZHQPDYOLDSEF-UKRRQHHQSA-N 2 2 323.387 1.717 10 0 DDAELP Cn1cc[nH+]c1CN(Cc1ccon1)[C@H]1CC12CC[NH2+]CC2 ZINC000261667829 222254261 /nfs/dbraw/zinc/25/42/61/222254261.db2.gz BTOPKHBDMBIBML-AWEZNQCLSA-N 2 2 301.394 1.552 10 0 DDAELP Cn1cc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000262143740 222272561 /nfs/dbraw/zinc/27/25/61/222272561.db2.gz QCWBYKSJCWWMTG-HNNXBMFYSA-N 2 2 314.437 1.298 10 0 DDAELP C[C@H]1C[C@@H](C[NH3+])CN1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000261818965 278475097 /nfs/dbraw/zinc/47/50/97/278475097.db2.gz HDTAIDMHPQEQET-STQMWFEESA-N 2 2 308.389 1.989 10 0 DDAELP COc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262130944 484263691 /nfs/dbraw/zinc/26/36/91/484263691.db2.gz NYTDZUYHEQDGDW-ZWNOBZJWSA-N 2 2 315.211 1.128 10 0 DDAELP C[C@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000157482877 524333262 /nfs/dbraw/zinc/33/32/62/524333262.db2.gz ORLRUCRRNOVFEL-HOTGVXAUSA-N 2 2 323.481 1.620 10 0 DDAELP CC(C)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758293 534969849 /nfs/dbraw/zinc/96/98/49/534969849.db2.gz MGKZTRJVVSWXMS-AWEZNQCLSA-N 2 2 310.486 1.889 10 0 DDAELP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000170834691 697350885 /nfs/dbraw/zinc/35/08/85/697350885.db2.gz SCMFRPVMLCQNTO-MRXNPFEDSA-N 2 2 313.405 1.718 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(CO)cc2)C1 ZINC000886082457 708695104 /nfs/dbraw/zinc/69/51/04/708695104.db2.gz CGUMOZRNKKCYKI-KURKYZTESA-N 2 2 304.434 1.910 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(CO)cc2)C1 ZINC000886082457 708695107 /nfs/dbraw/zinc/69/51/07/708695107.db2.gz CGUMOZRNKKCYKI-KURKYZTESA-N 2 2 304.434 1.910 10 0 DDAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000077120857 185110467 /nfs/dbraw/zinc/11/04/67/185110467.db2.gz GGYKDHXHLNIBSE-UHFFFAOYSA-N 2 2 316.380 1.789 10 0 DDAELP [NH3+]C[C@H]([NH2+]CCCO)c1cc(Cl)c2c(c1)OCCCO2 ZINC000087929880 185237658 /nfs/dbraw/zinc/23/76/58/185237658.db2.gz TVTJWLWBWHVJOM-LBPRGKRZSA-N 2 2 300.786 1.473 10 0 DDAELP NNc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c[nH+]1 ZINC000087868061 185234195 /nfs/dbraw/zinc/23/41/95/185234195.db2.gz CPXHMFHNVFAVLN-ZETCQYMHSA-N 2 2 313.203 1.173 10 0 DDAELP NNc1nc(N[C@H]2CC[N@H+](C3CC3)C2)c(Br)c[nH+]1 ZINC000087868061 185234196 /nfs/dbraw/zinc/23/41/96/185234196.db2.gz CPXHMFHNVFAVLN-ZETCQYMHSA-N 2 2 313.203 1.173 10 0 DDAELP C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1[NH3+] ZINC000261918920 282289225 /nfs/dbraw/zinc/28/92/25/282289225.db2.gz BLPUBUOQNUSXEY-SKDRFNHKSA-N 2 2 309.211 1.876 10 0 DDAELP O=C(OCc1ccccc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000117080713 353992463 /nfs/dbraw/zinc/99/24/63/353992463.db2.gz KOFUXUFGQKILEF-QGZVFWFLSA-N 2 2 317.433 1.940 10 0 DDAELP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(c1cc[nH+]cc1F)C2 ZINC000220394515 354314177 /nfs/dbraw/zinc/31/41/77/354314177.db2.gz JAZUZKOSROEZMR-MRXNPFEDSA-N 2 2 319.384 1.423 10 0 DDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccncc1 ZINC000171057829 407582280 /nfs/dbraw/zinc/58/22/80/407582280.db2.gz RJIDSHBYOZMKGM-CQSZACIVSA-N 2 2 311.389 1.849 10 0 DDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccncc1 ZINC000171057829 407582283 /nfs/dbraw/zinc/58/22/83/407582283.db2.gz RJIDSHBYOZMKGM-CQSZACIVSA-N 2 2 311.389 1.849 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261953355 407688104 /nfs/dbraw/zinc/68/81/04/407688104.db2.gz OQGNYXRRXOYQBR-OAGGEKHMSA-N 2 2 300.406 1.581 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1[NH3+] ZINC000262032283 407716894 /nfs/dbraw/zinc/71/68/94/407716894.db2.gz OEDFGWXXVVAAOV-CJNGLKHVSA-N 2 2 300.406 1.778 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1[NH3+] ZINC000262032283 407716901 /nfs/dbraw/zinc/71/69/01/407716901.db2.gz OEDFGWXXVVAAOV-CJNGLKHVSA-N 2 2 300.406 1.778 10 0 DDAELP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262044772 407722255 /nfs/dbraw/zinc/72/22/55/407722255.db2.gz YYHINDFHIFSCGU-KZNAEPCWSA-N 3 2 309.498 1.854 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262554199 407864354 /nfs/dbraw/zinc/86/43/54/407864354.db2.gz SZIXFPSJCMGBGM-GARJFASQSA-N 2 2 323.418 1.142 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262554199 407864361 /nfs/dbraw/zinc/86/43/61/407864361.db2.gz SZIXFPSJCMGBGM-GARJFASQSA-N 2 2 323.418 1.142 10 0 DDAELP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263017087 408004633 /nfs/dbraw/zinc/00/46/33/408004633.db2.gz QLVLFIOITCHCNL-GJZGRUSLSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263017087 408004640 /nfs/dbraw/zinc/00/46/40/408004640.db2.gz QLVLFIOITCHCNL-GJZGRUSLSA-N 2 2 323.387 1.764 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000263211780 408058646 /nfs/dbraw/zinc/05/86/46/408058646.db2.gz KJDYFGRECLBFFT-OAHLLOKOSA-N 2 2 324.388 1.558 10 0 DDAELP Cc1ccc(-n2cc[nH+]c2)c(-c2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263253686 408076557 /nfs/dbraw/zinc/07/65/57/408076557.db2.gz QGIUFDFJIGQJBE-HNNXBMFYSA-N 2 2 324.388 1.807 10 0 DDAELP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000245858164 408084924 /nfs/dbraw/zinc/08/49/24/408084924.db2.gz PJQYBKYEXGOQFG-HOTGVXAUSA-N 2 2 305.422 1.126 10 0 DDAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000245858164 408084927 /nfs/dbraw/zinc/08/49/27/408084927.db2.gz PJQYBKYEXGOQFG-HOTGVXAUSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000245858164 408084931 /nfs/dbraw/zinc/08/49/31/408084931.db2.gz PJQYBKYEXGOQFG-HOTGVXAUSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000245858164 408084932 /nfs/dbraw/zinc/08/49/32/408084932.db2.gz PJQYBKYEXGOQFG-HOTGVXAUSA-N 2 2 305.422 1.126 10 0 DDAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000178169944 408782816 /nfs/dbraw/zinc/78/28/16/408782816.db2.gz CKBAEKIJIOWWEG-ZBFHGGJFSA-N 2 2 309.454 1.088 10 0 DDAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000178169944 408782820 /nfs/dbraw/zinc/78/28/20/408782820.db2.gz CKBAEKIJIOWWEG-ZBFHGGJFSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000178169944 408782823 /nfs/dbraw/zinc/78/28/23/408782823.db2.gz CKBAEKIJIOWWEG-ZBFHGGJFSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000178169944 408782826 /nfs/dbraw/zinc/78/28/26/408782826.db2.gz CKBAEKIJIOWWEG-ZBFHGGJFSA-N 2 2 309.454 1.088 10 0 DDAELP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249801240 408766129 /nfs/dbraw/zinc/76/61/29/408766129.db2.gz AHMNZVHFOKIFJZ-CABCVRRESA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249801240 408766133 /nfs/dbraw/zinc/76/61/33/408766133.db2.gz AHMNZVHFOKIFJZ-CABCVRRESA-N 2 2 304.438 1.976 10 0 DDAELP CN1C[C@H](C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000658244269 424618657 /nfs/dbraw/zinc/61/86/57/424618657.db2.gz LAAXBAPNTKCTOO-IRXDYDNUSA-N 2 2 301.434 1.719 10 0 DDAELP CN1C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000658244269 424618661 /nfs/dbraw/zinc/61/86/61/424618661.db2.gz LAAXBAPNTKCTOO-IRXDYDNUSA-N 2 2 301.434 1.719 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(C[NH3+])o1)C2 ZINC000168411815 484090269 /nfs/dbraw/zinc/09/02/69/484090269.db2.gz HVFSXOSMIKKJQH-UHFFFAOYSA-N 2 2 302.378 1.794 10 0 DDAELP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262401632 484271095 /nfs/dbraw/zinc/27/10/95/484271095.db2.gz CGUJZNNSXSCNNP-JKSUJKDBSA-N 2 2 309.454 1.217 10 0 DDAELP C[N@H+](Cc1cncnc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121189355 490622479 /nfs/dbraw/zinc/62/24/79/490622479.db2.gz QURHVIJOKGTABC-UHFFFAOYSA-N 2 2 300.410 1.270 10 0 DDAELP C[N@@H+](Cc1cncnc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121189355 490622485 /nfs/dbraw/zinc/62/24/85/490622485.db2.gz QURHVIJOKGTABC-UHFFFAOYSA-N 2 2 300.410 1.270 10 0 DDAELP COC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000246338818 698348278 /nfs/dbraw/zinc/34/82/78/698348278.db2.gz LCLGSKSTSACMOP-NVXWUHKLSA-N 2 2 320.437 1.498 10 0 DDAELP COC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000246338818 698348282 /nfs/dbraw/zinc/34/82/82/698348282.db2.gz LCLGSKSTSACMOP-NVXWUHKLSA-N 2 2 320.437 1.498 10 0 DDAELP O=S1(=O)CCC(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000328607255 231243251 /nfs/dbraw/zinc/24/32/51/231243251.db2.gz LAXQAEJJOSVYKB-HNNXBMFYSA-N 2 2 310.419 1.360 10 0 DDAELP O=S1(=O)CCC(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000328607255 231243254 /nfs/dbraw/zinc/24/32/54/231243254.db2.gz LAXQAEJJOSVYKB-HNNXBMFYSA-N 2 2 310.419 1.360 10 0 DDAELP C[N@@H+]1CCC[C@@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087863856 185233768 /nfs/dbraw/zinc/23/37/68/185233768.db2.gz URHXLWHGAQUAEE-SSDOTTSWSA-N 2 2 301.192 1.031 10 0 DDAELP C[N@H+]1CCC[C@@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087863856 185233769 /nfs/dbraw/zinc/23/37/69/185233769.db2.gz URHXLWHGAQUAEE-SSDOTTSWSA-N 2 2 301.192 1.031 10 0 DDAELP NNc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c[nH+]1 ZINC000087868060 185234106 /nfs/dbraw/zinc/23/41/06/185234106.db2.gz CPXHMFHNVFAVLN-SSDOTTSWSA-N 2 2 313.203 1.173 10 0 DDAELP NNc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c[nH+]1 ZINC000087868060 185234107 /nfs/dbraw/zinc/23/41/07/185234107.db2.gz CPXHMFHNVFAVLN-SSDOTTSWSA-N 2 2 313.203 1.173 10 0 DDAELP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2n2cc[nH+]c2)o1 ZINC000088539145 185255308 /nfs/dbraw/zinc/25/53/08/185255308.db2.gz RDJLYOCGMGMHMM-NWDGAFQWSA-N 2 2 310.379 1.007 10 0 DDAELP C[C@@]1(C[NH+]2CCN(c3ccccc3Cl)CC2)COC[C@H]1[NH3+] ZINC000090606505 185306522 /nfs/dbraw/zinc/30/65/22/185306522.db2.gz YIGYIJOAGXJNKY-HZPDHXFCSA-N 2 2 309.841 1.826 10 0 DDAELP C[C@@H](C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000261846806 295713422 /nfs/dbraw/zinc/71/34/22/295713422.db2.gz MDXUUWYPODKVPT-HIFRSBDPSA-N 2 2 316.449 1.937 10 0 DDAELP CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273174 201371989 /nfs/dbraw/zinc/37/19/89/201371989.db2.gz WTPAUULGGYZMHY-INIZCTEOSA-N 2 2 304.438 1.362 10 0 DDAELP CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273174 201371992 /nfs/dbraw/zinc/37/19/92/201371992.db2.gz WTPAUULGGYZMHY-INIZCTEOSA-N 2 2 304.438 1.362 10 0 DDAELP CCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273174 201371994 /nfs/dbraw/zinc/37/19/94/201371994.db2.gz WTPAUULGGYZMHY-INIZCTEOSA-N 2 2 304.438 1.362 10 0 DDAELP CCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273174 201371997 /nfs/dbraw/zinc/37/19/97/201371997.db2.gz WTPAUULGGYZMHY-INIZCTEOSA-N 2 2 304.438 1.362 10 0 DDAELP Ic1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000041050962 183159110 /nfs/dbraw/zinc/15/91/10/183159110.db2.gz MWZIWDQWILCXRB-UHFFFAOYSA-N 2 2 317.130 1.871 10 0 DDAELP Cn1c(C[NH3+])nnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000110909456 194369079 /nfs/dbraw/zinc/36/90/79/194369079.db2.gz TYDOEWCIMMCRDG-UHFFFAOYSA-N 2 2 308.798 1.867 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@@H+]1C[C@@H](C)O ZINC000120734008 195226163 /nfs/dbraw/zinc/22/61/63/195226163.db2.gz VJDRNJUXYFCMQR-HZPDHXFCSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@H+]1C[C@@H](C)O ZINC000120734008 195226166 /nfs/dbraw/zinc/22/61/66/195226166.db2.gz VJDRNJUXYFCMQR-HZPDHXFCSA-N 2 2 316.449 1.920 10 0 DDAELP Cc1ccccc1SC1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC000067727302 407282025 /nfs/dbraw/zinc/28/20/25/407282025.db2.gz YQTWFMJQDXQKNH-HIFRSBDPSA-N 2 2 319.474 1.767 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000263161404 408043700 /nfs/dbraw/zinc/04/37/00/408043700.db2.gz DWEVOFALQAXTAN-AWEZNQCLSA-N 2 2 301.394 1.278 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000263161404 408043708 /nfs/dbraw/zinc/04/37/08/408043708.db2.gz DWEVOFALQAXTAN-AWEZNQCLSA-N 2 2 301.394 1.278 10 0 DDAELP Cc1ccc(N2CCC[N@H+](CCCn3cc[nH+]c3)CC2)nn1 ZINC000182753022 408238848 /nfs/dbraw/zinc/23/88/48/408238848.db2.gz KBAQICUWJQJPML-UHFFFAOYSA-N 2 2 300.410 1.584 10 0 DDAELP Cc1ccc(N2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)nn1 ZINC000182753022 408238851 /nfs/dbraw/zinc/23/88/51/408238851.db2.gz KBAQICUWJQJPML-UHFFFAOYSA-N 2 2 300.410 1.584 10 0 DDAELP CC(C)Cn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182752563 408240386 /nfs/dbraw/zinc/24/03/86/408240386.db2.gz JULLJDYFRIJZEA-OAHLLOKOSA-N 2 2 323.485 1.459 10 0 DDAELP CC(C)Cn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000182752563 408240391 /nfs/dbraw/zinc/24/03/91/408240391.db2.gz JULLJDYFRIJZEA-OAHLLOKOSA-N 2 2 323.485 1.459 10 0 DDAELP C[C@H]1CN(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000191503890 408436813 /nfs/dbraw/zinc/43/68/13/408436813.db2.gz SQKUGVIIEHUUMI-JKSUJKDBSA-N 2 2 304.438 1.536 10 0 DDAELP C[C@H]1CN(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000191503890 408436816 /nfs/dbraw/zinc/43/68/16/408436816.db2.gz SQKUGVIIEHUUMI-JKSUJKDBSA-N 2 2 304.438 1.536 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CCCSC2)nc[nH+]1 ZINC000248386898 408555489 /nfs/dbraw/zinc/55/54/89/408555489.db2.gz OGDGDFCCLAHRLI-STQMWFEESA-N 2 2 307.467 1.972 10 0 DDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248636704 408605102 /nfs/dbraw/zinc/60/51/02/408605102.db2.gz LHXDJBJAVAHRJS-CABCVRRESA-N 2 2 323.437 1.499 10 0 DDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248636704 408605106 /nfs/dbraw/zinc/60/51/06/408605106.db2.gz LHXDJBJAVAHRJS-CABCVRRESA-N 2 2 323.437 1.499 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccnn2C)nc[nH+]1 ZINC000192982784 408681288 /nfs/dbraw/zinc/68/12/88/408681288.db2.gz JIYLXTFCQAKJHT-CHWSQXEVSA-N 2 2 315.425 1.571 10 0 DDAELP Cc1c[nH+]ccc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000192568665 163228243 /nfs/dbraw/zinc/22/82/43/163228243.db2.gz QNPKZWQTPQODSX-KRWDZBQOSA-N 2 2 318.465 1.621 10 0 DDAELP C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447265 422913016 /nfs/dbraw/zinc/91/30/16/422913016.db2.gz AVZHQPDYOLDSEF-HIFRSBDPSA-N 2 2 323.387 1.717 10 0 DDAELP C[C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447265 422913018 /nfs/dbraw/zinc/91/30/18/422913018.db2.gz AVZHQPDYOLDSEF-HIFRSBDPSA-N 2 2 323.387 1.717 10 0 DDAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637533113 422264446 /nfs/dbraw/zinc/26/44/46/422264446.db2.gz RPAIVAINMOOQPX-KGLIPLIRSA-N 2 2 305.426 1.181 10 0 DDAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637533113 422264449 /nfs/dbraw/zinc/26/44/49/422264449.db2.gz RPAIVAINMOOQPX-KGLIPLIRSA-N 2 2 305.426 1.181 10 0 DDAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000089455612 484010409 /nfs/dbraw/zinc/01/04/09/484010409.db2.gz JMOJQYLXUFHHPM-GJZGRUSLSA-N 2 2 307.463 1.767 10 0 DDAELP Cc1cc(C)n(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cc(=O)[nH]2)n1 ZINC000073696254 524497306 /nfs/dbraw/zinc/49/73/06/524497306.db2.gz VQSPYPKJOIKGDL-ZDUSSCGKSA-N 2 2 316.409 1.074 10 0 DDAELP CCOC(=O)c1cnn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000133364127 696825320 /nfs/dbraw/zinc/82/53/20/696825320.db2.gz ZBUPZDURDNSJFL-HNNXBMFYSA-N 2 2 317.393 1.687 10 0 DDAELP CCOC(=O)c1cnn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000133364127 696825324 /nfs/dbraw/zinc/82/53/24/696825324.db2.gz ZBUPZDURDNSJFL-HNNXBMFYSA-N 2 2 317.393 1.687 10 0 DDAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COCc1ccccc1 ZINC000717441738 699289004 /nfs/dbraw/zinc/28/90/04/699289004.db2.gz RXJOMGAOTURTIA-KSZLIROESA-N 2 2 304.434 1.733 10 0 DDAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COCc1ccccc1 ZINC000717441738 699289005 /nfs/dbraw/zinc/28/90/05/699289005.db2.gz RXJOMGAOTURTIA-KSZLIROESA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000717441738 699289006 /nfs/dbraw/zinc/28/90/06/699289006.db2.gz RXJOMGAOTURTIA-KSZLIROESA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)COCc1ccccc1 ZINC000717441738 699289007 /nfs/dbraw/zinc/28/90/07/699289007.db2.gz RXJOMGAOTURTIA-KSZLIROESA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC([NH+]2CCN(C(=O)NCc3ccccc3)CC2)CC1 ZINC000082359255 185177906 /nfs/dbraw/zinc/17/79/06/185177906.db2.gz UYYJSRGIOJNANN-UHFFFAOYSA-N 2 2 316.449 1.608 10 0 DDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899790 198004401 /nfs/dbraw/zinc/00/44/01/198004401.db2.gz IZUNRBFSAWCJFK-OAHLLOKOSA-N 2 2 313.405 1.366 10 0 DDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171899790 198004402 /nfs/dbraw/zinc/00/44/02/198004402.db2.gz IZUNRBFSAWCJFK-OAHLLOKOSA-N 2 2 313.405 1.366 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195249444 201366176 /nfs/dbraw/zinc/36/61/76/201366176.db2.gz KEVDNLZPCLDULB-QWHCGFSZSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195249444 201366179 /nfs/dbraw/zinc/36/61/79/201366179.db2.gz KEVDNLZPCLDULB-QWHCGFSZSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000195249444 201366183 /nfs/dbraw/zinc/36/61/83/201366183.db2.gz KEVDNLZPCLDULB-QWHCGFSZSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000195249444 201366184 /nfs/dbraw/zinc/36/61/84/201366184.db2.gz KEVDNLZPCLDULB-QWHCGFSZSA-N 2 2 308.451 1.094 10 0 DDAELP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091669987 193087924 /nfs/dbraw/zinc/08/79/24/193087924.db2.gz GGYCHVVENRDMGL-OWCLPIDISA-N 2 2 310.825 1.826 10 0 DDAELP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091669987 193087927 /nfs/dbraw/zinc/08/79/27/193087927.db2.gz GGYCHVVENRDMGL-OWCLPIDISA-N 2 2 310.825 1.826 10 0 DDAELP CCc1nn(C)c(C[C@@H](C[NH+](C)C)[NH2+]C)c1Br ZINC000091719652 193097523 /nfs/dbraw/zinc/09/75/23/193097523.db2.gz KSNBKVLVQHRFAI-VIFPVBQESA-N 2 2 303.248 1.437 10 0 DDAELP Cc1cc(C)c(C[NH2+]C(C)C)c(N(C)CCS(C)(=O)=O)[nH+]1 ZINC000094300720 193359032 /nfs/dbraw/zinc/35/90/32/193359032.db2.gz MLUVBDXCZRJDMI-UHFFFAOYSA-N 2 2 313.467 1.677 10 0 DDAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509265 193375460 /nfs/dbraw/zinc/37/54/60/193375460.db2.gz QIBRTDNAJKAMLQ-GJZGRUSLSA-N 2 2 309.841 1.479 10 0 DDAELP Cn1cc[nH+]c1CCNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061541439 184174147 /nfs/dbraw/zinc/17/41/47/184174147.db2.gz GBXKUGYYXDYISN-UHFFFAOYSA-N 2 2 304.745 1.099 10 0 DDAELP CC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000062840507 184255481 /nfs/dbraw/zinc/25/54/81/184255481.db2.gz ILBMXBOMUKYOLT-UHFFFAOYSA-N 2 2 307.463 1.782 10 0 DDAELP Cc1ccc(C)c(O[C@H](C)C(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000066142933 184392903 /nfs/dbraw/zinc/39/29/03/184392903.db2.gz QWUIKVAMXJVADM-MRXNPFEDSA-N 2 2 319.449 1.564 10 0 DDAELP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2C1 ZINC000503718360 257208922 /nfs/dbraw/zinc/20/89/22/257208922.db2.gz RZIWOBNTOHIAOJ-NVXWUHKLSA-N 2 2 308.397 1.605 10 0 DDAELP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3F)C[C@H]2C1 ZINC000503718360 257208924 /nfs/dbraw/zinc/20/89/24/257208924.db2.gz RZIWOBNTOHIAOJ-NVXWUHKLSA-N 2 2 308.397 1.605 10 0 DDAELP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000503718360 257208926 /nfs/dbraw/zinc/20/89/26/257208926.db2.gz RZIWOBNTOHIAOJ-NVXWUHKLSA-N 2 2 308.397 1.605 10 0 DDAELP Cc1noc([C@@]23C[N@H+](CC(C)C)C[C@@H]2CC[NH+](CCCO)C3)n1 ZINC000257193544 407486627 /nfs/dbraw/zinc/48/66/27/407486627.db2.gz YSTGRFVVGWJNGT-RDJZCZTQSA-N 2 2 322.453 1.292 10 0 DDAELP Cc1noc([C@@]23C[N@@H+](CC(C)C)C[C@@H]2CC[NH+](CCCO)C3)n1 ZINC000257193544 407486633 /nfs/dbraw/zinc/48/66/33/407486633.db2.gz YSTGRFVVGWJNGT-RDJZCZTQSA-N 2 2 322.453 1.292 10 0 DDAELP Cc1noc([C@@]23C[NH+](CC(C)C)C[C@@H]2CC[N@H+](CCCO)C3)n1 ZINC000257193544 407486638 /nfs/dbraw/zinc/48/66/38/407486638.db2.gz YSTGRFVVGWJNGT-RDJZCZTQSA-N 2 2 322.453 1.292 10 0 DDAELP Cc1noc([C@@]23C[NH+](CC(C)C)C[C@@H]2CC[N@@H+](CCCO)C3)n1 ZINC000257193544 407486642 /nfs/dbraw/zinc/48/66/42/407486642.db2.gz YSTGRFVVGWJNGT-RDJZCZTQSA-N 2 2 322.453 1.292 10 0 DDAELP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000261981432 407701112 /nfs/dbraw/zinc/70/11/12/407701112.db2.gz RSPASCIJLBIKCG-JJXSEGSLSA-N 3 2 304.438 1.507 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116295780 407741513 /nfs/dbraw/zinc/74/15/13/407741513.db2.gz PCXAGGXTSUDRPD-HUUCEWRRSA-N 2 2 305.422 1.969 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116295780 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DDAELP c1cc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)co1 ZINC000253596335 257105615 /nfs/dbraw/zinc/10/56/15/257105615.db2.gz QCYIRCJSMIAXEV-ZACQAIPSSA-N 2 2 306.406 1.449 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000178748938 407581383 /nfs/dbraw/zinc/58/13/83/407581383.db2.gz FZLMTEPVQILBIZ-LLVKDONJSA-N 2 2 306.395 1.146 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000178748938 407581387 /nfs/dbraw/zinc/58/13/87/407581387.db2.gz FZLMTEPVQILBIZ-LLVKDONJSA-N 2 2 306.395 1.146 10 0 DDAELP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261972501 407698310 /nfs/dbraw/zinc/69/83/10/407698310.db2.gz BOIMKJZNKOSJLK-VIFPVBQESA-N 2 2 316.377 1.546 10 0 DDAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261976441 407698923 /nfs/dbraw/zinc/69/89/23/407698923.db2.gz ITPSFGNIRRVLOQ-XHDPSFHLSA-N 2 2 308.426 1.231 10 0 DDAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261976441 407698931 /nfs/dbraw/zinc/69/89/31/407698931.db2.gz ITPSFGNIRRVLOQ-XHDPSFHLSA-N 2 2 308.426 1.231 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3nc4ccccc4s3)C[C@@H]12 ZINC000262528505 407860633 /nfs/dbraw/zinc/86/06/33/407860633.db2.gz PEUGFVFBXXNMMZ-QJPTWQEYSA-N 2 2 316.430 1.904 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3nc4ccccc4s3)C[C@@H]12 ZINC000262528505 407860636 /nfs/dbraw/zinc/86/06/36/407860636.db2.gz PEUGFVFBXXNMMZ-QJPTWQEYSA-N 2 2 316.430 1.904 10 0 DDAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262900038 407964119 /nfs/dbraw/zinc/96/41/19/407964119.db2.gz DLXFOHCXSXQLCF-UPJWGTAASA-N 2 2 317.424 1.856 10 0 DDAELP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263133413 408034943 /nfs/dbraw/zinc/03/49/43/408034943.db2.gz BWZLQLCQAQLFBB-CABCVRRESA-N 2 2 323.387 1.764 10 0 DDAELP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263133413 408034947 /nfs/dbraw/zinc/03/49/47/408034947.db2.gz BWZLQLCQAQLFBB-CABCVRRESA-N 2 2 323.387 1.764 10 0 DDAELP Cc1cc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000119343205 408046322 /nfs/dbraw/zinc/04/63/22/408046322.db2.gz NQSXOYOIGZLPAS-IUODEOHRSA-N 2 2 304.394 1.574 10 0 DDAELP Cc1cccc(N2CCC(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)[nH+]1 ZINC000263307487 408101648 /nfs/dbraw/zinc/10/16/48/408101648.db2.gz YCABJJVHVXADEI-CYBMUJFWSA-N 2 2 324.375 1.472 10 0 DDAELP Cc1cc(-n2cc[nH+]c2)ccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000192010054 163211629 /nfs/dbraw/zinc/21/16/29/163211629.db2.gz CNAAHKDMLSEHNL-GOSISDBHSA-N 2 2 314.433 1.943 10 0 DDAELP CCn1c(C)nnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000195431632 163321559 /nfs/dbraw/zinc/32/15/59/163321559.db2.gz ZUUQAFHLKUVYKS-UHFFFAOYSA-N 2 2 307.442 1.151 10 0 DDAELP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c1 ZINC000643963371 423421478 /nfs/dbraw/zinc/42/14/78/423421478.db2.gz URBBZYFQWPYRMW-JQHSSLGASA-N 2 2 304.434 1.951 10 0 DDAELP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c1 ZINC000643963371 423421482 /nfs/dbraw/zinc/42/14/82/423421482.db2.gz URBBZYFQWPYRMW-JQHSSLGASA-N 2 2 304.434 1.951 10 0 DDAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)s1 ZINC000178882957 484110441 /nfs/dbraw/zinc/11/04/41/484110441.db2.gz LHTLWPUADWTDBR-KGLIPLIRSA-N 2 2 308.451 1.223 10 0 DDAELP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262401622 484270700 /nfs/dbraw/zinc/27/07/00/484270700.db2.gz CGUJZNNSXSCNNP-HZPDHXFCSA-N 2 2 309.454 1.217 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973368 533892314 /nfs/dbraw/zinc/89/23/14/533892314.db2.gz BVQVXXDVTKRSHO-JQHSSLGASA-N 3 2 303.450 1.211 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973368 533892323 /nfs/dbraw/zinc/89/23/23/533892323.db2.gz BVQVXXDVTKRSHO-JQHSSLGASA-N 3 2 303.450 1.211 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000171613957 697360409 /nfs/dbraw/zinc/36/04/09/697360409.db2.gz HPVCGDMWOSTCDU-HUUCEWRRSA-N 2 2 320.437 1.330 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000171613957 697360410 /nfs/dbraw/zinc/36/04/10/697360410.db2.gz HPVCGDMWOSTCDU-HUUCEWRRSA-N 2 2 320.437 1.330 10 0 DDAELP C[N@@H+]1CCC[C@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087863855 185233850 /nfs/dbraw/zinc/23/38/50/185233850.db2.gz URHXLWHGAQUAEE-ZETCQYMHSA-N 2 2 301.192 1.031 10 0 DDAELP C[N@H+]1CCC[C@H](Nc2nc(NN)[nH+]cc2Br)C1 ZINC000087863855 185233851 /nfs/dbraw/zinc/23/38/51/185233851.db2.gz URHXLWHGAQUAEE-ZETCQYMHSA-N 2 2 301.192 1.031 10 0 DDAELP C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000080531948 192165824 /nfs/dbraw/zinc/16/58/24/192165824.db2.gz FAJXSBQBOXUOAW-LLVKDONJSA-N 2 2 308.407 1.511 10 0 DDAELP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1C[C@@H](C)O ZINC000180085295 199115950 /nfs/dbraw/zinc/11/59/50/199115950.db2.gz HWNDFSJTLNRTMO-CABCVRRESA-N 2 2 302.422 1.611 10 0 DDAELP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1C[C@@H](C)O ZINC000180085295 199115951 /nfs/dbraw/zinc/11/59/51/199115951.db2.gz HWNDFSJTLNRTMO-CABCVRRESA-N 2 2 302.422 1.611 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000180567549 199177008 /nfs/dbraw/zinc/17/70/08/199177008.db2.gz NPNIDGLKLFLUGO-TZMCWYRMSA-N 2 2 315.425 1.571 10 0 DDAELP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000193376204 201040320 /nfs/dbraw/zinc/04/03/20/201040320.db2.gz UFQQIVKOMZPXNB-HZPDHXFCSA-N 2 2 307.438 1.993 10 0 DDAELP CCCCOC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000193376204 201040322 /nfs/dbraw/zinc/04/03/22/201040322.db2.gz UFQQIVKOMZPXNB-HZPDHXFCSA-N 2 2 307.438 1.993 10 0 DDAELP CC(C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282520 201372214 /nfs/dbraw/zinc/37/22/14/201372214.db2.gz DVKAWGLKFWUQPR-MRXNPFEDSA-N 2 2 304.438 1.360 10 0 DDAELP CC(C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282520 201372216 /nfs/dbraw/zinc/37/22/16/201372216.db2.gz DVKAWGLKFWUQPR-MRXNPFEDSA-N 2 2 304.438 1.360 10 0 DDAELP CC(C)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282520 201372220 /nfs/dbraw/zinc/37/22/20/201372220.db2.gz DVKAWGLKFWUQPR-MRXNPFEDSA-N 2 2 304.438 1.360 10 0 DDAELP CC(C)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282520 201372223 /nfs/dbraw/zinc/37/22/23/201372223.db2.gz DVKAWGLKFWUQPR-MRXNPFEDSA-N 2 2 304.438 1.360 10 0 DDAELP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Cl ZINC000091668022 193087508 /nfs/dbraw/zinc/08/75/08/193087508.db2.gz UZZRFMPUECRCMO-XJKCOSOUSA-N 2 2 310.825 1.826 10 0 DDAELP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1Cl ZINC000091668022 193087510 /nfs/dbraw/zinc/08/75/10/193087510.db2.gz UZZRFMPUECRCMO-XJKCOSOUSA-N 2 2 310.825 1.826 10 0 DDAELP [NH3+][C@@H](Cc1cc(Br)cs1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508088 193375272 /nfs/dbraw/zinc/37/52/72/193375272.db2.gz VDSPKAORXNGHJS-NWDGAFQWSA-N 2 2 316.268 1.380 10 0 DDAELP O=C1C(C[NH2+]CCCn2cc[nH+]c2)=CC2=CC=C[C@@H]3CCN1[C@H]23 ZINC000039287533 183016404 /nfs/dbraw/zinc/01/64/04/183016404.db2.gz JLBPPPPDSRKOMD-PBHICJAKSA-N 2 2 310.401 1.516 10 0 DDAELP CC[NH2+][C@@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145822 194395860 /nfs/dbraw/zinc/39/58/60/194395860.db2.gz QUGNQKMSNLCCRA-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP CC[NH2+][C@@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145822 194395863 /nfs/dbraw/zinc/39/58/63/194395863.db2.gz QUGNQKMSNLCCRA-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000062324783 184230292 /nfs/dbraw/zinc/23/02/92/184230292.db2.gz BIAVDKNDTLOZTP-NSHDSACASA-N 2 2 308.407 1.261 10 0 DDAELP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000062324793 184230587 /nfs/dbraw/zinc/23/05/87/184230587.db2.gz BTAYOUJJEOYNMB-LLVKDONJSA-N 2 2 308.407 1.261 10 0 DDAELP [NH3+]CCC[NH+]1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000066143037 184393173 /nfs/dbraw/zinc/39/31/73/184393173.db2.gz BHTQMUKZKGJYPZ-UHFFFAOYSA-N 2 2 309.841 1.766 10 0 DDAELP c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@@H]3C[NH2+]CCO3)c12 ZINC000261661092 407571247 /nfs/dbraw/zinc/57/12/47/407571247.db2.gz GGIVASBZDFDLNB-ZDUSSCGKSA-N 2 2 310.361 1.216 10 0 DDAELP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2ccc(C)c(C)c2)CC1 ZINC000096339191 407258703 /nfs/dbraw/zinc/25/87/03/407258703.db2.gz IJHSNBUAIOGUJR-UHFFFAOYSA-N 2 2 314.433 1.753 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000122870040 407313184 /nfs/dbraw/zinc/31/31/84/407313184.db2.gz VYBBVFVAWFZELN-CVEARBPZSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000122870040 407313187 /nfs/dbraw/zinc/31/31/87/407313187.db2.gz VYBBVFVAWFZELN-CVEARBPZSA-N 2 2 323.437 1.212 10 0 DDAELP CCCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863293 407356505 /nfs/dbraw/zinc/35/65/05/407356505.db2.gz XSRJJMPMOUKFKY-OAHLLOKOSA-N 2 2 321.469 1.194 10 0 DDAELP CCCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863293 407356506 /nfs/dbraw/zinc/35/65/06/407356506.db2.gz XSRJJMPMOUKFKY-OAHLLOKOSA-N 2 2 321.469 1.194 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000106912091 407366697 /nfs/dbraw/zinc/36/66/97/407366697.db2.gz ZNZDYHAPDNBCOI-KRWDZBQOSA-N 2 2 301.434 1.466 10 0 DDAELP CC[NH+](CC)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112739467 407438119 /nfs/dbraw/zinc/43/81/19/407438119.db2.gz HPPBYRLPQQNBPG-UHFFFAOYSA-N 2 2 321.469 1.953 10 0 DDAELP C[C@H]([NH3+])[C@@H]1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261810733 407623645 /nfs/dbraw/zinc/62/36/45/407623645.db2.gz GLNBZUNNDYEQSR-QWHCGFSZSA-N 2 2 308.389 1.989 10 0 DDAELP CCc1csc([C@@H]2CCC[N@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262261226 407779373 /nfs/dbraw/zinc/77/93/73/407779373.db2.gz RFUZZSRLPYCYMM-SNVBAGLBSA-N 2 2 307.423 1.927 10 0 DDAELP CCc1csc([C@@H]2CCC[N@@H+](Cc3noc(C[NH3+])n3)C2)n1 ZINC000262261226 407779382 /nfs/dbraw/zinc/77/93/82/407779382.db2.gz RFUZZSRLPYCYMM-SNVBAGLBSA-N 2 2 307.423 1.927 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262541291 407861832 /nfs/dbraw/zinc/86/18/32/407861832.db2.gz RCZGNWUZYDMISV-UHTWSYAYSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262541291 407861838 /nfs/dbraw/zinc/86/18/38/407861838.db2.gz RCZGNWUZYDMISV-UHTWSYAYSA-N 2 2 323.824 1.956 10 0 DDAELP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730548 407910308 /nfs/dbraw/zinc/91/03/08/407910308.db2.gz BMEANIPSGXILJB-STQMWFEESA-N 2 2 301.381 1.174 10 0 DDAELP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730548 407910316 /nfs/dbraw/zinc/91/03/16/407910316.db2.gz BMEANIPSGXILJB-STQMWFEESA-N 2 2 301.381 1.174 10 0 DDAELP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262983326 407992887 /nfs/dbraw/zinc/99/28/87/407992887.db2.gz MWNZCSDPPQLFQY-HNNXBMFYSA-N 2 2 323.387 1.764 10 0 DDAELP Cc1ncc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)s1 ZINC000182753590 408239559 /nfs/dbraw/zinc/23/95/59/408239559.db2.gz XBUSSFGVOKODTL-UHFFFAOYSA-N 2 2 305.451 1.856 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000178329525 408806530 /nfs/dbraw/zinc/80/65/30/408806530.db2.gz PJMRJDOSOFYZKJ-ZDUSSCGKSA-N 2 2 303.366 1.591 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000178329525 408806533 /nfs/dbraw/zinc/80/65/33/408806533.db2.gz PJMRJDOSOFYZKJ-ZDUSSCGKSA-N 2 2 303.366 1.591 10 0 DDAELP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000132226476 196237164 /nfs/dbraw/zinc/23/71/64/196237164.db2.gz VFTWYIXJIPOXPW-UHFFFAOYSA-N 2 2 312.417 1.441 10 0 DDAELP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173416187 275625989 /nfs/dbraw/zinc/62/59/89/275625989.db2.gz ZOGYXJAYFTWBCN-NVXWUHKLSA-N 2 2 323.481 1.286 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ncccn1 ZINC000154538902 527443059 /nfs/dbraw/zinc/44/30/59/527443059.db2.gz DJZWLFIIAORYNV-JSGCOSHPSA-N 2 2 314.393 1.473 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ncccn1 ZINC000154538902 527443066 /nfs/dbraw/zinc/44/30/66/527443066.db2.gz DJZWLFIIAORYNV-JSGCOSHPSA-N 2 2 314.393 1.473 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000299743067 528730967 /nfs/dbraw/zinc/73/09/67/528730967.db2.gz JTOKLPSPYGVENW-GHMZBOCLSA-N 2 2 318.343 1.553 10 0 DDAELP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261879943 698442997 /nfs/dbraw/zinc/44/29/97/698442997.db2.gz FGKSFPHSEMZPJN-OKZBNKHCSA-N 3 2 307.482 1.608 10 0 DDAELP CNS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000088539939 185255928 /nfs/dbraw/zinc/25/59/28/185255928.db2.gz BIGUCXDALUNPKR-UHFFFAOYSA-N 2 2 315.439 1.153 10 0 DDAELP [NH3+]CCc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000070553373 190905440 /nfs/dbraw/zinc/90/54/40/190905440.db2.gz AEOBPDAGRATMSU-UHFFFAOYSA-N 2 2 301.356 1.868 10 0 DDAELP CC[NH2+]Cc1ccc(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000080532516 192166469 /nfs/dbraw/zinc/16/64/69/192166469.db2.gz INRCREBIQWANII-UHFFFAOYSA-N 2 2 308.407 1.340 10 0 DDAELP c1cc(COC[C@@H]2C[NH2+]C[C@H](C[NH+]3CCCCC3)N2)ccn1 ZINC000136461786 354116813 /nfs/dbraw/zinc/11/68/13/354116813.db2.gz XZRIVNHQJIEVPS-SJORKVTESA-N 2 2 304.438 1.014 10 0 DDAELP C[N@H+](CC1CC1)C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000328633713 354554485 /nfs/dbraw/zinc/55/44/85/354554485.db2.gz MESFYTQAMOYSCV-HNNXBMFYSA-N 2 2 302.422 1.901 10 0 DDAELP C[N@@H+](CC1CC1)C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000328633713 354554486 /nfs/dbraw/zinc/55/44/86/354554486.db2.gz MESFYTQAMOYSCV-HNNXBMFYSA-N 2 2 302.422 1.901 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236888142 202055508 /nfs/dbraw/zinc/05/55/08/202055508.db2.gz TXOCWKGWQSSRNY-GUTXKFCHSA-N 2 2 320.437 1.439 10 0 DDAELP CCC[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](C)C ZINC000179458846 199038908 /nfs/dbraw/zinc/03/89/08/199038908.db2.gz SGQAGQBGTKBFIA-HNNXBMFYSA-N 2 2 320.437 1.265 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000348072422 283354344 /nfs/dbraw/zinc/35/43/44/283354344.db2.gz AWWROYLSTHPKQM-DJIMGWMZSA-N 2 2 301.434 1.908 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000348072422 283354349 /nfs/dbraw/zinc/35/43/49/283354349.db2.gz AWWROYLSTHPKQM-DJIMGWMZSA-N 2 2 301.434 1.908 10 0 DDAELP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270844 201370594 /nfs/dbraw/zinc/37/05/94/201370594.db2.gz BNWCYRYZUYZZQI-MSOLQXFVSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270844 201370597 /nfs/dbraw/zinc/37/05/97/201370597.db2.gz BNWCYRYZUYZZQI-MSOLQXFVSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195270844 201370600 /nfs/dbraw/zinc/37/06/00/201370600.db2.gz BNWCYRYZUYZZQI-MSOLQXFVSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195270844 201370602 /nfs/dbraw/zinc/37/06/02/201370602.db2.gz BNWCYRYZUYZZQI-MSOLQXFVSA-N 2 2 321.465 1.621 10 0 DDAELP Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175969 193212352 /nfs/dbraw/zinc/21/23/52/193212352.db2.gz JSPPETNVUPVZJI-HNNXBMFYSA-N 2 2 305.422 1.889 10 0 DDAELP Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175969 193212354 /nfs/dbraw/zinc/21/23/54/193212354.db2.gz JSPPETNVUPVZJI-HNNXBMFYSA-N 2 2 305.422 1.889 10 0 DDAELP CC(C)([C@H]([NH3+])[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000094642883 193388987 /nfs/dbraw/zinc/38/89/87/193388987.db2.gz OUIAKRAJIHQYMV-HZSPNIEDSA-N 2 2 302.484 1.792 10 0 DDAELP CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510159 193375692 /nfs/dbraw/zinc/37/56/92/193375692.db2.gz FCSUHPSOFNEJKI-HZPDHXFCSA-N 2 2 311.832 2.000 10 0 DDAELP CCOC(=O)[C@](C)(CCN(C)CCC[NH+](C)C)[NH2+]C(C)C ZINC000111145997 194395549 /nfs/dbraw/zinc/39/55/49/194395549.db2.gz WMWIMDDWLJWGLS-INIZCTEOSA-N 2 2 301.475 1.580 10 0 DDAELP CCC[NH2+][C@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145830 194395908 /nfs/dbraw/zinc/39/59/08/194395908.db2.gz RIGKLQDHBYGHNU-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CCC[NH2+][C@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145830 194395909 /nfs/dbraw/zinc/39/59/09/194395909.db2.gz RIGKLQDHBYGHNU-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000062808150 184253702 /nfs/dbraw/zinc/25/37/02/184253702.db2.gz JYTZPZOQABCPJE-LBPRGKRZSA-N 2 2 307.419 1.375 10 0 DDAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000062808149 184253798 /nfs/dbraw/zinc/25/37/98/184253798.db2.gz JYTZPZOQABCPJE-GFCCVEGCSA-N 2 2 307.419 1.375 10 0 DDAELP C[N@H+](CC(C)(C)[C@H]([NH3+])c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000063019018 184267416 /nfs/dbraw/zinc/26/74/16/184267416.db2.gz WMJXLVJFSXTWTE-HUUCEWRRSA-N 2 2 310.463 1.832 10 0 DDAELP C[N@@H+](CC(C)(C)[C@H]([NH3+])c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000063019018 184267418 /nfs/dbraw/zinc/26/74/18/184267418.db2.gz WMJXLVJFSXTWTE-HUUCEWRRSA-N 2 2 310.463 1.832 10 0 DDAELP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)n2c1 ZINC000120674294 195213124 /nfs/dbraw/zinc/21/31/24/195213124.db2.gz HEOUNNCSMVNLTE-HUUCEWRRSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1ccc2[nH+]cc(CN3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)n2c1 ZINC000120674294 195213126 /nfs/dbraw/zinc/21/31/26/195213126.db2.gz HEOUNNCSMVNLTE-HUUCEWRRSA-N 2 2 302.422 1.530 10 0 DDAELP C[NH+](C)C[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766823 407475412 /nfs/dbraw/zinc/47/54/12/407475412.db2.gz DHEFQRREMAUHFQ-SLXDBMQSSA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766823 407475422 /nfs/dbraw/zinc/47/54/22/407475422.db2.gz DHEFQRREMAUHFQ-SLXDBMQSSA-N 4 2 308.514 1.310 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000263245806 408072807 /nfs/dbraw/zinc/07/28/07/408072807.db2.gz PGVVFPZUMSDWOW-BXKDBHETSA-N 2 2 319.630 1.772 10 0 DDAELP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172755922 162300680 /nfs/dbraw/zinc/30/06/80/162300680.db2.gz JOHQLTBAKVXWRJ-QGZVFWFLSA-N 2 2 317.433 1.295 10 0 DDAELP CC[NH+](CC)CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275648901 408631956 /nfs/dbraw/zinc/63/19/56/408631956.db2.gz OEILWHYVZFBKNJ-CQSZACIVSA-N 2 2 320.437 1.469 10 0 DDAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178335053 408806503 /nfs/dbraw/zinc/80/65/03/408806503.db2.gz AMNUFFVOWXGUEO-GXTWGEPZSA-N 2 2 317.393 1.980 10 0 DDAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178335053 408806505 /nfs/dbraw/zinc/80/65/05/408806505.db2.gz AMNUFFVOWXGUEO-GXTWGEPZSA-N 2 2 317.393 1.980 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162995121 408750939 /nfs/dbraw/zinc/75/09/39/408750939.db2.gz SZVHRQBOUNAXNL-CABCVRRESA-N 2 2 321.469 1.795 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000162995121 408750942 /nfs/dbraw/zinc/75/09/42/408750942.db2.gz SZVHRQBOUNAXNL-CABCVRRESA-N 2 2 321.469 1.795 10 0 DDAELP CC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000248742829 698379869 /nfs/dbraw/zinc/37/98/69/698379869.db2.gz AJYUCRQWBVTMSF-WMZOPIPTSA-N 2 2 319.449 1.430 10 0 DDAELP CC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000248742829 698379873 /nfs/dbraw/zinc/37/98/73/698379873.db2.gz AJYUCRQWBVTMSF-WMZOPIPTSA-N 2 2 319.449 1.430 10 0 DDAELP O=C(NCc1ccn2cc[nH+]c2c1)c1cn[nH]c1[C@H]1CCCC[NH2+]1 ZINC000864790349 706264210 /nfs/dbraw/zinc/26/42/10/706264210.db2.gz BIXPDPJOOWCIDK-CQSZACIVSA-N 2 2 324.388 1.802 10 0 DDAELP Cn1cncc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886068626 708691927 /nfs/dbraw/zinc/69/19/27/708691927.db2.gz CUGHEYQQAJTWOT-KRWDZBQOSA-N 2 2 315.421 1.530 10 0 DDAELP Cn1cncc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886068626 708691929 /nfs/dbraw/zinc/69/19/29/708691929.db2.gz CUGHEYQQAJTWOT-KRWDZBQOSA-N 2 2 315.421 1.530 10 0 DDAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000183116550 539241037 /nfs/dbraw/zinc/24/10/37/539241037.db2.gz OYUBAPGHJDNYGV-ZBFHGGJFSA-N 2 2 321.421 1.081 10 0 DDAELP C[C@](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)([NH2+]C1CC1)C(N)=O ZINC000088435096 185250006 /nfs/dbraw/zinc/25/00/06/185250006.db2.gz FHXWLGQVZXAUKJ-GXFFZTMASA-N 2 2 307.360 1.647 10 0 DDAELP C[C@](CC[N@H+]1CCC[C@H](C(F)(F)F)C1)([NH2+]C1CC1)C(N)=O ZINC000088435096 185250007 /nfs/dbraw/zinc/25/00/07/185250007.db2.gz FHXWLGQVZXAUKJ-GXFFZTMASA-N 2 2 307.360 1.647 10 0 DDAELP CN(C[C@H]1CCC[N@@H+]1C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000092665028 185332496 /nfs/dbraw/zinc/33/24/96/185332496.db2.gz CQTJYGBDNMDRFW-SNVBAGLBSA-N 2 2 307.789 1.241 10 0 DDAELP CN(C[C@H]1CCC[N@H+]1C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000092665028 185332497 /nfs/dbraw/zinc/33/24/97/185332497.db2.gz CQTJYGBDNMDRFW-SNVBAGLBSA-N 2 2 307.789 1.241 10 0 DDAELP C[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH3+])c3)sc2C1 ZINC000113535407 353977614 /nfs/dbraw/zinc/97/76/14/353977614.db2.gz KCKKJVXUNQPAPS-UHFFFAOYSA-N 2 2 302.403 1.842 10 0 DDAELP CC[NH2+]CCC[C@@H](C)[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542790 192288093 /nfs/dbraw/zinc/28/80/93/192288093.db2.gz KLIZSPDDZSYJHK-SNVBAGLBSA-N 2 2 305.348 1.891 10 0 DDAELP CC[NH2+]CCC[C@@H](C)[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000081542790 192288094 /nfs/dbraw/zinc/28/80/94/192288094.db2.gz KLIZSPDDZSYJHK-SNVBAGLBSA-N 2 2 305.348 1.891 10 0 DDAELP CCC[NH+]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2F)CC1 ZINC000092115544 193162989 /nfs/dbraw/zinc/16/29/89/193162989.db2.gz MTYMJMBPENNYCW-UHFFFAOYSA-N 2 2 315.414 1.001 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093913759 193327195 /nfs/dbraw/zinc/32/71/95/193327195.db2.gz INRSKHNWJLYGLJ-GXFFZTMASA-N 2 2 300.834 1.226 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093913759 193327197 /nfs/dbraw/zinc/32/71/97/193327197.db2.gz INRSKHNWJLYGLJ-GXFFZTMASA-N 2 2 300.834 1.226 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093925695 193328270 /nfs/dbraw/zinc/32/82/70/193328270.db2.gz VMZWNRFLOXSCQI-SMDDNHRTSA-N 2 2 314.861 1.615 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093925695 193328272 /nfs/dbraw/zinc/32/82/72/193328272.db2.gz VMZWNRFLOXSCQI-SMDDNHRTSA-N 2 2 314.861 1.615 10 0 DDAELP [NH3+][C@@H](Cc1cc(Br)cs1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508086 193375446 /nfs/dbraw/zinc/37/54/46/193375446.db2.gz VDSPKAORXNGHJS-RYUDHWBXSA-N 2 2 316.268 1.380 10 0 DDAELP CCC[C@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082114 184204969 /nfs/dbraw/zinc/20/49/69/184204969.db2.gz CIWZWOIRUPLZNQ-SOUVJXGZSA-N 2 2 317.499 1.107 10 0 DDAELP C[N@@H+]1CCCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065269592 184320018 /nfs/dbraw/zinc/32/00/18/184320018.db2.gz KKTKNTRXHDHPPN-UHFFFAOYSA-N 2 2 316.449 1.779 10 0 DDAELP C[N@H+]1CCCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000065269592 184320020 /nfs/dbraw/zinc/32/00/20/184320020.db2.gz KKTKNTRXHDHPPN-UHFFFAOYSA-N 2 2 316.449 1.779 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000158950056 197313059 /nfs/dbraw/zinc/31/30/59/197313059.db2.gz ZILPNRDSICBGOU-HIFRSBDPSA-N 2 2 300.406 1.722 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000158950056 197313061 /nfs/dbraw/zinc/31/30/61/197313061.db2.gz ZILPNRDSICBGOU-HIFRSBDPSA-N 2 2 300.406 1.722 10 0 DDAELP c1csc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)n1 ZINC000253596943 257105849 /nfs/dbraw/zinc/10/58/49/257105849.db2.gz YKHLMYUBVXAMSM-KFWWJZLASA-N 2 2 323.462 1.312 10 0 DDAELP c1csc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)n1 ZINC000253596943 257105850 /nfs/dbraw/zinc/10/58/50/257105850.db2.gz YKHLMYUBVXAMSM-KFWWJZLASA-N 2 2 323.462 1.312 10 0 DDAELP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2[nH+]cnc3[nH]ccc32)C1 ZINC000286253816 286095370 /nfs/dbraw/zinc/09/53/70/286095370.db2.gz FEFWTAAHOODTLP-STQMWFEESA-N 2 2 301.394 1.647 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000117284204 407818915 /nfs/dbraw/zinc/81/89/15/407818915.db2.gz UXTVBAXNFDSYRR-NVXWUHKLSA-N 2 2 319.449 1.468 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000117284204 407818921 /nfs/dbraw/zinc/81/89/21/407818921.db2.gz UXTVBAXNFDSYRR-NVXWUHKLSA-N 2 2 319.449 1.468 10 0 DDAELP CCS(=O)(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000118396111 407914043 /nfs/dbraw/zinc/91/40/43/407914043.db2.gz DVCQMGASAHCLOV-CQSZACIVSA-N 2 2 311.451 1.559 10 0 DDAELP CCS(=O)(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000118396111 407914049 /nfs/dbraw/zinc/91/40/49/407914049.db2.gz DVCQMGASAHCLOV-CQSZACIVSA-N 2 2 311.451 1.559 10 0 DDAELP C[C@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888855 408130081 /nfs/dbraw/zinc/13/00/81/408130081.db2.gz JTZOYLXJHVCREF-ZDUSSCGKSA-N 2 2 312.373 1.672 10 0 DDAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)o1 ZINC000121035463 408152577 /nfs/dbraw/zinc/15/25/77/408152577.db2.gz HNDVDUHVZIOESM-SFHVURJKSA-N 2 2 321.465 1.815 10 0 DDAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)o1 ZINC000121035463 408152582 /nfs/dbraw/zinc/15/25/82/408152582.db2.gz HNDVDUHVZIOESM-SFHVURJKSA-N 2 2 321.465 1.815 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000246414320 408249915 /nfs/dbraw/zinc/24/99/15/408249915.db2.gz SAOZLIABDJAFEK-IAGOWNOFSA-N 2 2 323.481 1.619 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000246414320 408249920 /nfs/dbraw/zinc/24/99/20/408249920.db2.gz SAOZLIABDJAFEK-IAGOWNOFSA-N 2 2 323.481 1.619 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nc[nH+]1 ZINC000246441286 408256496 /nfs/dbraw/zinc/25/64/96/408256496.db2.gz ONIXSRLPSFWEIY-QLFBSQMISA-N 3 2 318.469 1.559 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nc[nH+]1 ZINC000246441286 408256503 /nfs/dbraw/zinc/25/65/03/408256503.db2.gz ONIXSRLPSFWEIY-QLFBSQMISA-N 3 2 318.469 1.559 10 0 DDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000171351542 162214845 /nfs/dbraw/zinc/21/48/45/162214845.db2.gz ZYCWOQHQEKGFGF-CQSZACIVSA-N 2 2 305.426 1.714 10 0 DDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000171351542 162214847 /nfs/dbraw/zinc/21/48/47/162214847.db2.gz ZYCWOQHQEKGFGF-CQSZACIVSA-N 2 2 305.426 1.714 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)cn2c1 ZINC000247197175 408426853 /nfs/dbraw/zinc/42/68/53/408426853.db2.gz OROCMNCBXDIKKJ-LSDHHAIUSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cn2c1 ZINC000247197175 408426856 /nfs/dbraw/zinc/42/68/56/408426856.db2.gz OROCMNCBXDIKKJ-LSDHHAIUSA-N 2 2 302.422 1.530 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nccn2C)nc[nH+]1 ZINC000183216969 306709990 /nfs/dbraw/zinc/70/99/90/306709990.db2.gz KDGRLJJTEDDKAF-STQMWFEESA-N 2 2 315.425 1.571 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nnnn1C1CC1 ZINC000248892523 408656536 /nfs/dbraw/zinc/65/65/36/408656536.db2.gz SJOURSAZFPQKLH-RISCZKNCSA-N 2 2 301.398 1.739 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nnnn1C1CC1 ZINC000248892523 408656539 /nfs/dbraw/zinc/65/65/39/408656539.db2.gz SJOURSAZFPQKLH-RISCZKNCSA-N 2 2 301.398 1.739 10 0 DDAELP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925576 408772805 /nfs/dbraw/zinc/77/28/05/408772805.db2.gz ZRMMDSIMUONLCN-STQMWFEESA-N 2 2 319.409 1.050 10 0 DDAELP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925576 408772807 /nfs/dbraw/zinc/77/28/07/408772807.db2.gz ZRMMDSIMUONLCN-STQMWFEESA-N 2 2 319.409 1.050 10 0 DDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000247524324 163571239 /nfs/dbraw/zinc/57/12/39/163571239.db2.gz ZILPNRDSICBGOU-DZGCQCFKSA-N 2 2 300.406 1.722 10 0 DDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000247524324 163571242 /nfs/dbraw/zinc/57/12/42/163571242.db2.gz ZILPNRDSICBGOU-DZGCQCFKSA-N 2 2 300.406 1.722 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270682 163941086 /nfs/dbraw/zinc/94/10/86/163941086.db2.gz SDOLIRQLIJMZRY-PBHICJAKSA-N 3 2 323.868 1.474 10 0 DDAELP Cc1nc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000302116606 279112404 /nfs/dbraw/zinc/11/24/04/279112404.db2.gz WJKUISQGBCANLG-DYVFJYSZSA-N 2 2 316.449 1.821 10 0 DDAELP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000129615454 281351065 /nfs/dbraw/zinc/35/10/65/281351065.db2.gz OQADCFUXFKTOSJ-AWEZNQCLSA-N 2 2 305.422 1.199 10 0 DDAELP Cc1cc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000262138612 301272189 /nfs/dbraw/zinc/27/21/89/301272189.db2.gz PGMYOKXKRROBKV-OAHLLOKOSA-N 2 2 315.421 1.861 10 0 DDAELP C[NH+](C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391025917 307294142 /nfs/dbraw/zinc/29/41/42/307294142.db2.gz SCJZEKOUDIETFA-XVLXNVKGSA-N 3 2 317.477 1.694 10 0 DDAELP C[NH+](C)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391025917 307294143 /nfs/dbraw/zinc/29/41/43/307294143.db2.gz SCJZEKOUDIETFA-XVLXNVKGSA-N 3 2 317.477 1.694 10 0 DDAELP Brc1ccc(C[NH2+]CC[C@H]2COCC[NH2+]2)s1 ZINC000087511048 185227460 /nfs/dbraw/zinc/22/74/60/185227460.db2.gz ZYHVUXZHFIXFIF-VIFPVBQESA-N 2 2 305.241 1.979 10 0 DDAELP CC(C)(C)OC(=O)N1CC(c2c[nH+]c3n2CCC3)=C[C@H]([NH3+])C1 ZINC000675077608 539562904 /nfs/dbraw/zinc/56/29/04/539562904.db2.gz GKWZAQGZHKZNGR-LBPRGKRZSA-N 2 2 304.394 1.791 10 0 DDAELP COc1cc[nH+]c(CN2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)c1OC ZINC000072162253 191062278 /nfs/dbraw/zinc/06/22/78/191062278.db2.gz PQEHFAPASBOBRU-NVXWUHKLSA-N 2 2 321.421 1.035 10 0 DDAELP Cc1nn(C)c(Cn2cc[nH+]c2C[C@@H](C)[NH3+])c1Br ZINC000089256105 192751516 /nfs/dbraw/zinc/75/15/16/192751516.db2.gz KRXWBSWDHKEZRD-MRVPVSSYSA-N 2 2 312.215 1.626 10 0 DDAELP O[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C[NH+]1CCCCC1 ZINC000194997337 201322783 /nfs/dbraw/zinc/32/27/83/201322783.db2.gz VTJISGDKEYWSBL-CVEARBPZSA-N 2 2 315.421 1.331 10 0 DDAELP CCC[C@H](C(N)=S)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000109470038 194267064 /nfs/dbraw/zinc/26/70/64/194267064.db2.gz UKCJSQOXNSKWAZ-CQSZACIVSA-N 2 2 309.483 1.346 10 0 DDAELP CCC[NH2+][C@@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145829 194395498 /nfs/dbraw/zinc/39/54/98/194395498.db2.gz RIGKLQDHBYGHNU-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP CCC[NH2+][C@@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145829 194395500 /nfs/dbraw/zinc/39/55/00/194395500.db2.gz RIGKLQDHBYGHNU-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000061542605 184174175 /nfs/dbraw/zinc/17/41/75/184174175.db2.gz VRRSXGKJBYWLGX-SNVBAGLBSA-N 2 2 307.789 1.241 10 0 DDAELP CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000061542605 184174177 /nfs/dbraw/zinc/17/41/77/184174177.db2.gz VRRSXGKJBYWLGX-SNVBAGLBSA-N 2 2 307.789 1.241 10 0 DDAELP C[NH2+][C@](C)(CCCC[NH+]1CCC(COC)CC1)C(=O)OC ZINC000069507409 184520742 /nfs/dbraw/zinc/52/07/42/184520742.db2.gz MHRABPBYUQIBPA-MRXNPFEDSA-N 2 2 300.443 1.666 10 0 DDAELP C[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000034668472 406964655 /nfs/dbraw/zinc/96/46/55/406964655.db2.gz XBRGIMWEFIVYFE-AWEZNQCLSA-N 2 2 322.428 1.014 10 0 DDAELP C[N@H+](CC1CC[NH2+]CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178983060 407682170 /nfs/dbraw/zinc/68/21/70/407682170.db2.gz ULGMYSBTGQHNJP-UHFFFAOYSA-N 3 2 305.470 1.279 10 0 DDAELP C[N@@H+](CC1CC[NH2+]CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178983060 407682176 /nfs/dbraw/zinc/68/21/76/407682176.db2.gz ULGMYSBTGQHNJP-UHFFFAOYSA-N 3 2 305.470 1.279 10 0 DDAELP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000153023766 407739116 /nfs/dbraw/zinc/73/91/16/407739116.db2.gz NZZKVQIBIMDEMX-CQSZACIVSA-N 2 2 319.380 1.787 10 0 DDAELP CCn1c(C)nnc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000179253786 407761413 /nfs/dbraw/zinc/76/14/13/407761413.db2.gz VAVDBSNUZMGHHZ-UHFFFAOYSA-N 2 2 308.474 1.064 10 0 DDAELP CCn1c(C)nnc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179253786 407761418 /nfs/dbraw/zinc/76/14/18/407761418.db2.gz VAVDBSNUZMGHHZ-UHFFFAOYSA-N 2 2 308.474 1.064 10 0 DDAELP C[N@H+](Cc1noc(C[NH3+])n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000262233940 407773275 /nfs/dbraw/zinc/77/32/75/407773275.db2.gz OETVQXCYNNPUPN-CQSZACIVSA-N 2 2 301.394 1.629 10 0 DDAELP C[N@@H+](Cc1noc(C[NH3+])n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000262233940 407773281 /nfs/dbraw/zinc/77/32/81/407773281.db2.gz OETVQXCYNNPUPN-CQSZACIVSA-N 2 2 301.394 1.629 10 0 DDAELP CCc1ccc(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)s1 ZINC000262273718 407782060 /nfs/dbraw/zinc/78/20/60/407782060.db2.gz STVLCXBXOJIUIH-UHFFFAOYSA-N 2 2 321.450 1.470 10 0 DDAELP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000263052680 408011488 /nfs/dbraw/zinc/01/14/88/408011488.db2.gz USGZGZDSMIMJDN-MNOVXSKESA-N 2 2 303.378 1.464 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000263084325 408021594 /nfs/dbraw/zinc/02/15/94/408021594.db2.gz XTMRIGCKLZASJH-YUELXQCFSA-N 2 2 323.387 1.763 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000263084325 408021598 /nfs/dbraw/zinc/02/15/98/408021598.db2.gz XTMRIGCKLZASJH-YUELXQCFSA-N 2 2 323.387 1.763 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000263222610 408063976 /nfs/dbraw/zinc/06/39/76/408063976.db2.gz MEROFUAHPIMZHJ-STQMWFEESA-N 2 2 301.381 1.318 10 0 DDAELP COC[C@@H](O)C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301887530 410822271 /nfs/dbraw/zinc/82/22/71/410822271.db2.gz PLVACWYSWBSLGQ-ZDUSSCGKSA-N 2 2 304.394 1.447 10 0 DDAELP CC(C)n1ncc2cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cnc21 ZINC000131350559 196161090 /nfs/dbraw/zinc/16/10/90/196161090.db2.gz DFZJQORPFVAJKE-MRXNPFEDSA-N 2 2 305.426 1.414 10 0 DDAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283251 424773397 /nfs/dbraw/zinc/77/33/97/424773397.db2.gz JZFBWQQSJRZNFU-WDSOQIARSA-N 3 2 316.493 1.390 10 0 DDAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283251 424773402 /nfs/dbraw/zinc/77/34/02/424773402.db2.gz JZFBWQQSJRZNFU-WDSOQIARSA-N 3 2 316.493 1.390 10 0 DDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000309880077 484379091 /nfs/dbraw/zinc/37/90/91/484379091.db2.gz JGOKQCHZPXJWHR-RDJZCZTQSA-N 2 2 302.422 1.354 10 0 DDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000309880077 484379097 /nfs/dbraw/zinc/37/90/97/484379097.db2.gz JGOKQCHZPXJWHR-RDJZCZTQSA-N 2 2 302.422 1.354 10 0 DDAELP OCC[NH+]1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000591886167 355410408 /nfs/dbraw/zinc/41/04/08/355410408.db2.gz QKRVTJXBXIIHBK-UHFFFAOYSA-N 2 2 314.227 1.390 10 0 DDAELP O=C([C@@H]1CCCCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000080995856 192210587 /nfs/dbraw/zinc/21/05/87/192210587.db2.gz IURKTHXCFKJLRM-HNNXBMFYSA-N 2 2 307.463 1.925 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195286808 201373499 /nfs/dbraw/zinc/37/34/99/201373499.db2.gz PFDPOEJMXHPPJH-OAHLLOKOSA-N 2 2 302.422 1.114 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195286808 201373501 /nfs/dbraw/zinc/37/35/01/201373501.db2.gz PFDPOEJMXHPPJH-OAHLLOKOSA-N 2 2 302.422 1.114 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000195286808 201373504 /nfs/dbraw/zinc/37/35/04/201373504.db2.gz PFDPOEJMXHPPJH-OAHLLOKOSA-N 2 2 302.422 1.114 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000195286808 201373508 /nfs/dbraw/zinc/37/35/08/201373508.db2.gz PFDPOEJMXHPPJH-OAHLLOKOSA-N 2 2 302.422 1.114 10 0 DDAELP Brc1cn2c(C[NH2+]CCn3cc[nH+]c3)cnc2cn1 ZINC000092049697 193148706 /nfs/dbraw/zinc/14/87/06/193148706.db2.gz SVZQWEMPOCIUKG-UHFFFAOYSA-N 2 2 321.182 1.478 10 0 DDAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895817 193325643 /nfs/dbraw/zinc/32/56/43/193325643.db2.gz TVZIUBOOMNVPOB-JKSUJKDBSA-N 2 2 310.873 1.892 10 0 DDAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895817 193325644 /nfs/dbraw/zinc/32/56/44/193325644.db2.gz TVZIUBOOMNVPOB-JKSUJKDBSA-N 2 2 310.873 1.892 10 0 DDAELP CC[C@](C)([C@H]([NH2+]C)[C@@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC000094642904 193388728 /nfs/dbraw/zinc/38/87/28/193388728.db2.gz RBUMQVJZXSAPGX-LXTVHRRPSA-N 2 2 304.500 1.908 10 0 DDAELP CC[NH2+][C@H](Cc1c(F)cccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510295 193375784 /nfs/dbraw/zinc/37/57/84/193375784.db2.gz DSTZGMSNUGLSLR-HZPDHXFCSA-N 2 2 311.832 2.000 10 0 DDAELP CCc1nn(C)c(Cn2c[nH+]c(CC[NH3+])c2)c1Br ZINC000094529570 193376945 /nfs/dbraw/zinc/37/69/45/193376945.db2.gz COMMURCSGNAONU-UHFFFAOYSA-N 2 2 312.215 1.491 10 0 DDAELP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000094757017 193395419 /nfs/dbraw/zinc/39/54/19/193395419.db2.gz MSWJAKANMYTCTJ-HNNXBMFYSA-N 2 2 311.451 1.200 10 0 DDAELP CCC[NH2+]Cc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)nc1 ZINC000094757017 193395421 /nfs/dbraw/zinc/39/54/21/193395421.db2.gz MSWJAKANMYTCTJ-HNNXBMFYSA-N 2 2 311.451 1.200 10 0 DDAELP [NH3+]C[C@H](c1ccc(Br)o1)N1CCn2cc[nH+]c2C1 ZINC000062249465 184225598 /nfs/dbraw/zinc/22/55/98/184225598.db2.gz XKQFGZYDYZHVDE-SECBINFHSA-N 2 2 311.183 1.754 10 0 DDAELP CCCOc1cccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000066142988 184392687 /nfs/dbraw/zinc/39/26/87/184392687.db2.gz ROMBELRQIUOIRC-UHFFFAOYSA-N 2 2 305.422 1.582 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000113232985 407481061 /nfs/dbraw/zinc/48/10/61/407481061.db2.gz RZSPIKPURFFACL-UKRRQHHQSA-N 2 2 311.389 1.576 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000113232985 407481066 /nfs/dbraw/zinc/48/10/66/407481066.db2.gz RZSPIKPURFFACL-UKRRQHHQSA-N 2 2 311.389 1.576 10 0 DDAELP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048444 407723464 /nfs/dbraw/zinc/72/34/64/407723464.db2.gz ZIWQYBNBJRHJGG-OTWHNJEPSA-N 2 2 317.477 1.865 10 0 DDAELP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048444 407723468 /nfs/dbraw/zinc/72/34/68/407723468.db2.gz ZIWQYBNBJRHJGG-OTWHNJEPSA-N 2 2 317.477 1.865 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CCSc4ccccc43)C[C@@H]12 ZINC000262554875 407866650 /nfs/dbraw/zinc/86/66/50/407866650.db2.gz TYPCDOVWCODQEX-BFHYXJOUSA-N 2 2 317.458 1.794 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CCSc4ccccc43)C[C@@H]12 ZINC000262554875 407866656 /nfs/dbraw/zinc/86/66/56/407866656.db2.gz TYPCDOVWCODQEX-BFHYXJOUSA-N 2 2 317.458 1.794 10 0 DDAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245201807 407951230 /nfs/dbraw/zinc/95/12/30/407951230.db2.gz MPNHDMJFGRMUTM-DLBZAZTESA-N 2 2 317.433 1.098 10 0 DDAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000245201807 407951237 /nfs/dbraw/zinc/95/12/37/407951237.db2.gz MPNHDMJFGRMUTM-DLBZAZTESA-N 2 2 317.433 1.098 10 0 DDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245201807 407951242 /nfs/dbraw/zinc/95/12/42/407951242.db2.gz MPNHDMJFGRMUTM-DLBZAZTESA-N 2 2 317.433 1.098 10 0 DDAELP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000245201807 407951247 /nfs/dbraw/zinc/95/12/47/407951247.db2.gz MPNHDMJFGRMUTM-DLBZAZTESA-N 2 2 317.433 1.098 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000263071149 408016401 /nfs/dbraw/zinc/01/64/01/408016401.db2.gz WNEPLNBUBNOFSE-UBHSHLNASA-N 2 2 313.392 1.459 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000263071149 408016404 /nfs/dbraw/zinc/01/64/04/408016404.db2.gz WNEPLNBUBNOFSE-UBHSHLNASA-N 2 2 313.392 1.459 10 0 DDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000151106587 408255831 /nfs/dbraw/zinc/25/58/31/408255831.db2.gz ODBIGLJCOKEDEJ-GJZGRUSLSA-N 2 2 318.421 1.111 10 0 DDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000151106587 408255838 /nfs/dbraw/zinc/25/58/38/408255838.db2.gz ODBIGLJCOKEDEJ-GJZGRUSLSA-N 2 2 318.421 1.111 10 0 DDAELP C[NH+](C)C[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246310372 408214741 /nfs/dbraw/zinc/21/47/41/408214741.db2.gz DHEFQRREMAUHFQ-ZBKUBXTQSA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246310372 408214753 /nfs/dbraw/zinc/21/47/53/408214753.db2.gz DHEFQRREMAUHFQ-ZBKUBXTQSA-N 4 2 308.514 1.310 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000173653856 162353712 /nfs/dbraw/zinc/35/37/12/162353712.db2.gz IBXWMBNKLJTONF-GDBMZVCRSA-N 2 2 319.453 1.110 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000173653856 162353714 /nfs/dbraw/zinc/35/37/14/162353714.db2.gz IBXWMBNKLJTONF-GDBMZVCRSA-N 2 2 319.453 1.110 10 0 DDAELP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249877458 408770640 /nfs/dbraw/zinc/77/06/40/408770640.db2.gz MHBMTWZYIPSZBH-GJZGRUSLSA-N 2 2 320.437 1.357 10 0 DDAELP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249877458 408770644 /nfs/dbraw/zinc/77/06/44/408770644.db2.gz MHBMTWZYIPSZBH-GJZGRUSLSA-N 2 2 320.437 1.357 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCC=CO3)CC2)C1 ZINC000193901636 163271761 /nfs/dbraw/zinc/27/17/61/163271761.db2.gz JCMGONUHHROEOZ-ZWKOTPCHSA-N 2 2 323.481 1.406 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCC=CO3)CC2)C1 ZINC000193901636 163271764 /nfs/dbraw/zinc/27/17/64/163271764.db2.gz JCMGONUHHROEOZ-ZWKOTPCHSA-N 2 2 323.481 1.406 10 0 DDAELP C[NH+](C)[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317940 163314873 /nfs/dbraw/zinc/31/48/73/163314873.db2.gz KOQVSGPBWDHGQF-SJORKVTESA-N 2 2 301.434 1.986 10 0 DDAELP C[NH+](C)[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317940 163314877 /nfs/dbraw/zinc/31/48/77/163314877.db2.gz KOQVSGPBWDHGQF-SJORKVTESA-N 2 2 301.434 1.986 10 0 DDAELP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000332782035 164057942 /nfs/dbraw/zinc/05/79/42/164057942.db2.gz YORAGEHNDCETJA-KGLIPLIRSA-N 2 2 305.426 1.781 10 0 DDAELP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000332782035 164057943 /nfs/dbraw/zinc/05/79/43/164057943.db2.gz YORAGEHNDCETJA-KGLIPLIRSA-N 2 2 305.426 1.781 10 0 DDAELP COCCn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000374256067 418511854 /nfs/dbraw/zinc/51/18/54/418511854.db2.gz UQDRUGFFTNWLDK-MRXNPFEDSA-N 2 2 303.410 1.699 10 0 DDAELP COCCn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000374256067 418511855 /nfs/dbraw/zinc/51/18/55/418511855.db2.gz UQDRUGFFTNWLDK-MRXNPFEDSA-N 2 2 303.410 1.699 10 0 DDAELP C[C@H]1[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390723753 418755696 /nfs/dbraw/zinc/75/56/96/418755696.db2.gz PKZHSPYABZKKJY-RDJZCZTQSA-N 2 2 304.434 1.781 10 0 DDAELP C[C@H]1[C@@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390723753 418755698 /nfs/dbraw/zinc/75/56/98/418755698.db2.gz PKZHSPYABZKKJY-RDJZCZTQSA-N 2 2 304.434 1.781 10 0 DDAELP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631843512 421879561 /nfs/dbraw/zinc/87/95/61/421879561.db2.gz OVZAIXPZLHRSNR-QWRGUYRKSA-N 2 2 315.870 1.887 10 0 DDAELP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631843512 421879569 /nfs/dbraw/zinc/87/95/69/421879569.db2.gz OVZAIXPZLHRSNR-QWRGUYRKSA-N 2 2 315.870 1.887 10 0 DDAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000333318596 288852739 /nfs/dbraw/zinc/85/27/39/288852739.db2.gz UAAXHCQRIWZYKN-QEJZJMRPSA-N 2 2 312.421 1.770 10 0 DDAELP Cc1cc[nH+]c(NC[C@H]2C[NH2+]CCCO2)c1Br ZINC000390274894 307293605 /nfs/dbraw/zinc/29/36/05/307293605.db2.gz YTZOICYLGBZIQL-SNVBAGLBSA-N 2 2 300.200 1.943 10 0 DDAELP C[N@H+](C[C@@H](O)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000158238784 523012337 /nfs/dbraw/zinc/01/23/37/523012337.db2.gz AGMYIUSLDUIJFB-CYBMUJFWSA-N 2 2 320.359 1.203 10 0 DDAELP C[N@@H+](C[C@@H](O)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000158238784 523012350 /nfs/dbraw/zinc/01/23/50/523012350.db2.gz AGMYIUSLDUIJFB-CYBMUJFWSA-N 2 2 320.359 1.203 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000171613964 697360531 /nfs/dbraw/zinc/36/05/31/697360531.db2.gz HPVCGDMWOSTCDU-CABCVRRESA-N 2 2 320.437 1.330 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000171613964 697360534 /nfs/dbraw/zinc/36/05/34/697360534.db2.gz HPVCGDMWOSTCDU-CABCVRRESA-N 2 2 320.437 1.330 10 0 DDAELP Cc1[nH+]cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)n1C ZINC000702764126 699232471 /nfs/dbraw/zinc/23/24/71/699232471.db2.gz PDZNSEPYIQLYRI-GXTWGEPZSA-N 2 2 324.425 1.046 10 0 DDAELP Cc1cn[nH]c1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054754 708690158 /nfs/dbraw/zinc/69/01/58/708690158.db2.gz BEBFQPKPVCQCJH-MRXNPFEDSA-N 2 2 315.421 1.828 10 0 DDAELP Cc1cn[nH]c1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054754 708690159 /nfs/dbraw/zinc/69/01/59/708690159.db2.gz BEBFQPKPVCQCJH-MRXNPFEDSA-N 2 2 315.421 1.828 10 0 DDAELP Cc1c[nH]nc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054754 708690160 /nfs/dbraw/zinc/69/01/60/708690160.db2.gz BEBFQPKPVCQCJH-MRXNPFEDSA-N 2 2 315.421 1.828 10 0 DDAELP Cc1c[nH]nc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054754 708690161 /nfs/dbraw/zinc/69/01/61/708690161.db2.gz BEBFQPKPVCQCJH-MRXNPFEDSA-N 2 2 315.421 1.828 10 0 DDAELP [NH3+]C[C@@H]([NH2+]CCCO)c1cc2c(c(Br)c1)OCO2 ZINC000087929736 185237609 /nfs/dbraw/zinc/23/76/09/185237609.db2.gz FGWJILFFEUVRDS-SNVBAGLBSA-N 2 2 317.183 1.150 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)NCc1ccccc1Cl ZINC000090328035 185291456 /nfs/dbraw/zinc/29/14/56/185291456.db2.gz CIKZAUYPNJWBHY-MRVWCRGKSA-N 2 2 307.825 1.496 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000090328035 185291457 /nfs/dbraw/zinc/29/14/57/185291457.db2.gz CIKZAUYPNJWBHY-MRVWCRGKSA-N 2 2 307.825 1.496 10 0 DDAELP Cc1cc(C[NH+]2CC(N3CC[NH2+]CC3)C2)ccc1Br ZINC000091472214 193061458 /nfs/dbraw/zinc/06/14/58/193061458.db2.gz PXCAKGQYOWAOIB-UHFFFAOYSA-N 2 2 324.266 1.847 10 0 DDAELP CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721617 193096748 /nfs/dbraw/zinc/09/67/48/193096748.db2.gz NKDCYXTWVZNAKC-KWCYVHTRSA-N 2 2 310.829 1.831 10 0 DDAELP CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721617 193096750 /nfs/dbraw/zinc/09/67/50/193096750.db2.gz NKDCYXTWVZNAKC-KWCYVHTRSA-N 2 2 310.829 1.831 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccc(F)cc3)c2N)CC1 ZINC000040756904 183129818 /nfs/dbraw/zinc/12/98/18/183129818.db2.gz PNGLWGZTVJAOGR-UHFFFAOYSA-N 2 2 317.372 1.516 10 0 DDAELP [NH3+]C[C@@H](c1ccc(Br)o1)N1CCn2cc[nH+]c2C1 ZINC000062249467 184225654 /nfs/dbraw/zinc/22/56/54/184225654.db2.gz XKQFGZYDYZHVDE-VIFPVBQESA-N 2 2 311.183 1.754 10 0 DDAELP O=C(C[NH2+]CCc1c[nH]c[nH+]1)NCCc1ccc(Cl)cc1 ZINC000065460962 184348873 /nfs/dbraw/zinc/34/88/73/184348873.db2.gz ZXXYNMAGJZXBCT-UHFFFAOYSA-N 2 2 306.797 1.554 10 0 DDAELP O=C(C[NH2+]CCc1c[nH+]c[nH]1)NCCc1ccc(Cl)cc1 ZINC000065460962 184348875 /nfs/dbraw/zinc/34/88/75/184348875.db2.gz ZXXYNMAGJZXBCT-UHFFFAOYSA-N 2 2 306.797 1.554 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@H+](C)CC3CC[NH2+]CC3)CCC[NH+]2C)cn1 ZINC000261744004 407597592 /nfs/dbraw/zinc/59/75/92/407597592.db2.gz BRKFCAINNLKPBE-FUHWJXTLSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC3CC[NH2+]CC3)CCC[NH+]2C)cn1 ZINC000261744004 407597601 /nfs/dbraw/zinc/59/76/01/407597601.db2.gz BRKFCAINNLKPBE-FUHWJXTLSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)CC3CC[NH2+]CC3)CCC[N@@H+]2C)cn1 ZINC000261744004 407597608 /nfs/dbraw/zinc/59/76/08/407597608.db2.gz BRKFCAINNLKPBE-FUHWJXTLSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)CC3CC[NH2+]CC3)CCC[N@H+]2C)cn1 ZINC000261744004 407597614 /nfs/dbraw/zinc/59/76/14/407597614.db2.gz BRKFCAINNLKPBE-FUHWJXTLSA-N 3 2 319.497 1.734 10 0 DDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000171204343 407627619 /nfs/dbraw/zinc/62/76/19/407627619.db2.gz CXGHHYBYOAJPPQ-CQSZACIVSA-N 2 2 302.422 1.969 10 0 DDAELP C[C@@H](NC(=O)C1([NH3+])CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000261855468 407644063 /nfs/dbraw/zinc/64/40/63/407644063.db2.gz MSONSISZVBVIEI-CYBMUJFWSA-N 2 2 314.389 1.557 10 0 DDAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262054046 407726538 /nfs/dbraw/zinc/72/65/38/407726538.db2.gz ZZPOWNSZCUESTC-XDNAFOTISA-N 3 2 309.498 1.854 10 0 DDAELP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262054046 407726542 /nfs/dbraw/zinc/72/65/42/407726542.db2.gz ZZPOWNSZCUESTC-XDNAFOTISA-N 3 2 309.498 1.854 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)CCO2)n1 ZINC000245635198 408032997 /nfs/dbraw/zinc/03/29/97/408032997.db2.gz RETGQKGFQDUGGJ-SJORKVTESA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000245635198 408033002 /nfs/dbraw/zinc/03/30/02/408033002.db2.gz RETGQKGFQDUGGJ-SJORKVTESA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CCO2)n1 ZINC000245635198 408033008 /nfs/dbraw/zinc/03/30/08/408033008.db2.gz RETGQKGFQDUGGJ-SJORKVTESA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)CCO2)n1 ZINC000245635198 408033014 /nfs/dbraw/zinc/03/30/14/408033014.db2.gz RETGQKGFQDUGGJ-SJORKVTESA-N 2 2 306.454 1.685 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263278522 408087404 /nfs/dbraw/zinc/08/74/04/408087404.db2.gz TVUVQDWFZCCRCH-YJBOKZPZSA-N 3 2 321.440 1.003 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCCSC2)nc[nH+]1 ZINC000248386897 408555287 /nfs/dbraw/zinc/55/52/87/408555287.db2.gz OGDGDFCCLAHRLI-QWHCGFSZSA-N 2 2 307.467 1.972 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177787940 408712610 /nfs/dbraw/zinc/71/26/10/408712610.db2.gz ZKNZIFKBRARGEU-DZGCQCFKSA-N 2 2 313.405 1.712 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177787940 408712614 /nfs/dbraw/zinc/71/26/14/408712614.db2.gz ZKNZIFKBRARGEU-DZGCQCFKSA-N 2 2 313.405 1.712 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC000162974301 408748447 /nfs/dbraw/zinc/74/84/47/408748447.db2.gz RETGQKGFQDUGGJ-IRXDYDNUSA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000162974301 408748451 /nfs/dbraw/zinc/74/84/51/408748451.db2.gz RETGQKGFQDUGGJ-IRXDYDNUSA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CCO2)n1 ZINC000162974301 408748457 /nfs/dbraw/zinc/74/84/57/408748457.db2.gz RETGQKGFQDUGGJ-IRXDYDNUSA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)CCO2)n1 ZINC000162974301 408748459 /nfs/dbraw/zinc/74/84/59/408748459.db2.gz RETGQKGFQDUGGJ-IRXDYDNUSA-N 2 2 306.454 1.685 10 0 DDAELP CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302872722 410879769 /nfs/dbraw/zinc/87/97/69/410879769.db2.gz CDNVXSFUDWDPAX-CYBMUJFWSA-N 2 2 307.467 1.926 10 0 DDAELP CC[N@H+]1CCC[C@@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302872722 410879774 /nfs/dbraw/zinc/87/97/74/410879774.db2.gz CDNVXSFUDWDPAX-CYBMUJFWSA-N 2 2 307.467 1.926 10 0 DDAELP Cn1cncc1C[N@@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328622965 418606708 /nfs/dbraw/zinc/60/67/08/418606708.db2.gz BQOMDMZCRJJQJC-CYBMUJFWSA-N 2 2 300.410 1.864 10 0 DDAELP Cn1cncc1C[N@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328622965 418606711 /nfs/dbraw/zinc/60/67/11/418606711.db2.gz BQOMDMZCRJJQJC-CYBMUJFWSA-N 2 2 300.410 1.864 10 0 DDAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3Cn3cncn3)cn2)c[nH+]1 ZINC000377987334 307279733 /nfs/dbraw/zinc/27/97/33/307279733.db2.gz HNYLCLZQSBRWJU-HNNXBMFYSA-N 2 2 309.377 1.523 10 0 DDAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cn3cncn3)cn2)c[nH+]1 ZINC000377987334 307279734 /nfs/dbraw/zinc/27/97/34/307279734.db2.gz HNYLCLZQSBRWJU-HNNXBMFYSA-N 2 2 309.377 1.523 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000262165135 484265205 /nfs/dbraw/zinc/26/52/05/484265205.db2.gz UGBRMYGXALKWFB-SKDRFNHKSA-N 2 2 319.630 1.772 10 0 DDAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000180088824 539235305 /nfs/dbraw/zinc/23/53/05/539235305.db2.gz WURSGOMFUCXUTQ-DYVFJYSZSA-N 2 2 314.433 1.788 10 0 DDAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000180088824 539235306 /nfs/dbraw/zinc/23/53/06/539235306.db2.gz WURSGOMFUCXUTQ-DYVFJYSZSA-N 2 2 314.433 1.788 10 0 DDAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000183116585 539240948 /nfs/dbraw/zinc/24/09/48/539240948.db2.gz OYUBAPGHJDNYGV-GDBMZVCRSA-N 2 2 321.421 1.081 10 0 DDAELP CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000080644781 192176999 /nfs/dbraw/zinc/17/69/99/192176999.db2.gz ZTNRQFYSAHXLMJ-LLVKDONJSA-N 2 2 308.407 1.559 10 0 DDAELP OCC[N@@H+]1CCC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000384744768 354630433 /nfs/dbraw/zinc/63/04/33/354630433.db2.gz RGXVISYPRLFDSS-IBGZPJMESA-N 2 2 317.477 1.697 10 0 DDAELP OCC[N@H+]1CCC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000384744768 354630436 /nfs/dbraw/zinc/63/04/36/354630436.db2.gz RGXVISYPRLFDSS-IBGZPJMESA-N 2 2 317.477 1.697 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CCCOC)nc[nH+]1 ZINC000180573399 199177995 /nfs/dbraw/zinc/17/79/95/199177995.db2.gz KPOCRJHHPGJVTA-KBPBESRZSA-N 2 2 307.442 1.892 10 0 DDAELP C[N@H+](CC(=O)NCCc1cccc(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874427 193322030 /nfs/dbraw/zinc/32/20/30/193322030.db2.gz NFKKMTANAMUASL-UHFFFAOYSA-N 2 2 311.857 1.915 10 0 DDAELP C[N@@H+](CC(=O)NCCc1cccc(Cl)c1)CC(C)(C)C[NH3+] ZINC000093874427 193322031 /nfs/dbraw/zinc/32/20/31/193322031.db2.gz NFKKMTANAMUASL-UHFFFAOYSA-N 2 2 311.857 1.915 10 0 DDAELP C[C@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000043403628 183358730 /nfs/dbraw/zinc/35/87/30/183358730.db2.gz XXGLJKNBBBUMLL-SNVBAGLBSA-N 2 2 301.843 1.654 10 0 DDAELP C[C@H](C(=O)N1CC[NH2+]CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000043403628 183358732 /nfs/dbraw/zinc/35/87/32/183358732.db2.gz XXGLJKNBBBUMLL-SNVBAGLBSA-N 2 2 301.843 1.654 10 0 DDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105125958 194076087 /nfs/dbraw/zinc/07/60/87/194076087.db2.gz OXULFMSTKAZYBY-HNNXBMFYSA-N 2 2 317.437 1.527 10 0 DDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105125958 194076089 /nfs/dbraw/zinc/07/60/89/194076089.db2.gz OXULFMSTKAZYBY-HNNXBMFYSA-N 2 2 317.437 1.527 10 0 DDAELP C[NH2+]Cc1oc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1C ZINC000061948489 184198211 /nfs/dbraw/zinc/19/82/11/184198211.db2.gz DJIPDQANUWQOHT-UHFFFAOYSA-N 2 2 305.344 1.987 10 0 DDAELP CC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]CC1 ZINC000062840518 184255832 /nfs/dbraw/zinc/25/58/32/184255832.db2.gz IGMLUTWKYQABNZ-UHFFFAOYSA-N 2 2 307.463 1.782 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCS(=O)(=O)C(C)C ZINC000121677517 195328718 /nfs/dbraw/zinc/32/87/18/195328718.db2.gz YFNBFDOVIJOFSJ-OAHLLOKOSA-N 2 2 313.467 1.869 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000121677517 195328720 /nfs/dbraw/zinc/32/87/20/195328720.db2.gz YFNBFDOVIJOFSJ-OAHLLOKOSA-N 2 2 313.467 1.869 10 0 DDAELP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000261629945 407561070 /nfs/dbraw/zinc/56/10/70/407561070.db2.gz CXVFRANSHYALTD-CFVMTHIKSA-N 2 2 314.389 1.914 10 0 DDAELP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000261629945 407561078 /nfs/dbraw/zinc/56/10/78/407561078.db2.gz CXVFRANSHYALTD-CFVMTHIKSA-N 2 2 314.389 1.914 10 0 DDAELP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172746597 407849349 /nfs/dbraw/zinc/84/93/49/407849349.db2.gz FPYDLTORXWCFBS-IAGOWNOFSA-N 2 2 317.433 1.222 10 0 DDAELP CCC[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+](C)C ZINC000135005570 407960573 /nfs/dbraw/zinc/96/05/73/407960573.db2.gz CXEJIVHPYVHHQL-CQSZACIVSA-N 2 2 301.394 1.614 10 0 DDAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262900031 407963367 /nfs/dbraw/zinc/96/33/67/407963367.db2.gz DLXFOHCXSXQLCF-FRRDWIJNSA-N 2 2 317.424 1.856 10 0 DDAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262900031 407963370 /nfs/dbraw/zinc/96/33/70/407963370.db2.gz DLXFOHCXSXQLCF-FRRDWIJNSA-N 2 2 317.424 1.856 10 0 DDAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)[NH+](C)C ZINC000154818816 408089132 /nfs/dbraw/zinc/08/91/32/408089132.db2.gz ILOSPCMBWCAHIJ-HNNXBMFYSA-N 2 2 324.494 1.826 10 0 DDAELP COCC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000246046405 408129764 /nfs/dbraw/zinc/12/97/64/408129764.db2.gz BNLZLKUNHFQLAY-AWEZNQCLSA-N 2 2 307.438 1.860 10 0 DDAELP COCC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C[C@@H]1C ZINC000246046405 408129771 /nfs/dbraw/zinc/12/97/71/408129771.db2.gz BNLZLKUNHFQLAY-AWEZNQCLSA-N 2 2 307.438 1.860 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3=CCCOC3)CC2)C1 ZINC000121064301 408155039 /nfs/dbraw/zinc/15/50/39/408155039.db2.gz VFISFBRGUGVSLT-SFHVURJKSA-N 2 2 323.481 1.060 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3=CCCOC3)CC2)C1 ZINC000121064301 408155047 /nfs/dbraw/zinc/15/50/47/408155047.db2.gz VFISFBRGUGVSLT-SFHVURJKSA-N 2 2 323.481 1.060 10 0 DDAELP CC[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@@H+]1CCOC ZINC000190523873 408267815 /nfs/dbraw/zinc/26/78/15/408267815.db2.gz GLIWLZZUWWKDSL-CQSZACIVSA-N 2 2 323.437 1.641 10 0 DDAELP CC[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@H+]1CCOC ZINC000190523873 408267819 /nfs/dbraw/zinc/26/78/19/408267819.db2.gz GLIWLZZUWWKDSL-CQSZACIVSA-N 2 2 323.437 1.641 10 0 DDAELP CC(C)C[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+](C)C ZINC000247169575 408419468 /nfs/dbraw/zinc/41/94/68/408419468.db2.gz MVWQEOWWQJZIDW-LSDHHAIUSA-N 2 2 321.469 1.826 10 0 DDAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@H]1C ZINC000247620418 408497815 /nfs/dbraw/zinc/49/78/15/408497815.db2.gz NDYWWHKAFFMUKR-OAHLLOKOSA-N 2 2 302.422 1.877 10 0 DDAELP CCOCC[N@H+]1CCN(Cc2c[nH+]c3ccccn23)C[C@H]1C ZINC000247620418 408497819 /nfs/dbraw/zinc/49/78/19/408497819.db2.gz NDYWWHKAFFMUKR-OAHLLOKOSA-N 2 2 302.422 1.877 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC000192714285 408636152 /nfs/dbraw/zinc/63/61/52/408636152.db2.gz ADGXLHSOPYHZRI-GFCCVEGCSA-N 2 2 304.398 1.732 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC000192714285 408636157 /nfs/dbraw/zinc/63/61/57/408636157.db2.gz ADGXLHSOPYHZRI-GFCCVEGCSA-N 2 2 304.398 1.732 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000178319011 408805362 /nfs/dbraw/zinc/80/53/62/408805362.db2.gz YQKWBDQNQSIHBJ-GFCCVEGCSA-N 2 2 318.343 1.677 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000178319011 408805365 /nfs/dbraw/zinc/80/53/65/408805365.db2.gz YQKWBDQNQSIHBJ-GFCCVEGCSA-N 2 2 318.343 1.677 10 0 DDAELP [NH3+]C1CCC(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000037802033 418416706 /nfs/dbraw/zinc/41/67/06/418416706.db2.gz ZBYDGPLDHXZYOA-UHFFFAOYSA-N 2 2 307.463 1.910 10 0 DDAELP C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000341622338 271143835 /nfs/dbraw/zinc/14/38/35/271143835.db2.gz VDRMPRRDZOXKCC-KLHDSHLOSA-N 2 2 319.453 1.958 10 0 DDAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000077121349 185110855 /nfs/dbraw/zinc/11/08/55/185110855.db2.gz LRWPPMIEAYOOAW-MRXNPFEDSA-N 2 2 302.422 1.692 10 0 DDAELP COc1ccc([C@H](C[NH3+])[NH2+]CCCO)cc1Br ZINC000087929763 185237757 /nfs/dbraw/zinc/23/77/57/185237757.db2.gz HEDKHSHLICEJEP-NSHDSACASA-N 2 2 303.200 1.430 10 0 DDAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nnc2ccc(Br)cn21 ZINC000087847039 185233379 /nfs/dbraw/zinc/23/33/79/185233379.db2.gz SGXCZTDEXSBNHI-SECBINFHSA-N 2 2 307.155 1.457 10 0 DDAELP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1nnc2ccc(Br)cn21 ZINC000087847039 185233380 /nfs/dbraw/zinc/23/33/80/185233380.db2.gz SGXCZTDEXSBNHI-SECBINFHSA-N 2 2 307.155 1.457 10 0 DDAELP CC[NH+](CC)CCC[NH2+]Cc1ccc(S(=O)(=O)NC)o1 ZINC000088539811 185255264 /nfs/dbraw/zinc/25/52/64/185255264.db2.gz MFDKKNNUXBYGEL-UHFFFAOYSA-N 2 2 303.428 1.009 10 0 DDAELP CN(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000088539752 185255429 /nfs/dbraw/zinc/25/54/29/185255429.db2.gz MFTAYYTWQFXLQN-UHFFFAOYSA-N 2 2 317.455 1.207 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000092713942 185335932 /nfs/dbraw/zinc/33/59/32/185335932.db2.gz SCLBUEHYLZZQBH-NWDGAFQWSA-N 2 2 307.360 1.647 10 0 DDAELP C[N@@H+]1CCO[C@H](c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000074889989 191380701 /nfs/dbraw/zinc/38/07/01/191380701.db2.gz MDVUBKDLZWAXCH-KBPBESRZSA-N 2 2 307.419 1.291 10 0 DDAELP C[N@H+]1CCO[C@H](c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000074889989 191380703 /nfs/dbraw/zinc/38/07/03/191380703.db2.gz MDVUBKDLZWAXCH-KBPBESRZSA-N 2 2 307.419 1.291 10 0 DDAELP CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721619 193096767 /nfs/dbraw/zinc/09/67/67/193096767.db2.gz NKDCYXTWVZNAKC-MRVWCRGKSA-N 2 2 310.829 1.831 10 0 DDAELP CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721619 193096770 /nfs/dbraw/zinc/09/67/70/193096770.db2.gz NKDCYXTWVZNAKC-MRVWCRGKSA-N 2 2 310.829 1.831 10 0 DDAELP NC(=O)C[N@H+](C[C@H]1CSc2ccccc21)C1CC[NH2+]CC1 ZINC000092290416 193185033 /nfs/dbraw/zinc/18/50/33/193185033.db2.gz HIPBXLPOISMWSK-LBPRGKRZSA-N 2 2 305.447 1.415 10 0 DDAELP NC(=O)C[N@@H+](C[C@H]1CSc2ccccc21)C1CC[NH2+]CC1 ZINC000092290416 193185035 /nfs/dbraw/zinc/18/50/35/193185035.db2.gz HIPBXLPOISMWSK-LBPRGKRZSA-N 2 2 305.447 1.415 10 0 DDAELP [NH3+]Cc1csc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094445357 193371592 /nfs/dbraw/zinc/37/15/92/193371592.db2.gz KANSPBGIXXNULO-GFCCVEGCSA-N 2 2 315.464 1.066 10 0 DDAELP [NH3+]Cc1csc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094445357 193371594 /nfs/dbraw/zinc/37/15/94/193371594.db2.gz KANSPBGIXXNULO-GFCCVEGCSA-N 2 2 315.464 1.066 10 0 DDAELP [NH3+][C@H](Cc1sccc1Br)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508149 193375101 /nfs/dbraw/zinc/37/51/01/193375101.db2.gz AVVXZEFMBSLGGZ-MNOVXSKESA-N 2 2 316.268 1.380 10 0 DDAELP CC[N@H+](CC(=O)Nc1nc(C)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748296 183128649 /nfs/dbraw/zinc/12/86/49/183128649.db2.gz ZNKQZOSBIHXODX-FUNVUKJBSA-N 2 2 308.451 1.995 10 0 DDAELP CC[N@@H+](CC(=O)Nc1nc(C)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748296 183128651 /nfs/dbraw/zinc/12/86/51/183128651.db2.gz ZNKQZOSBIHXODX-FUNVUKJBSA-N 2 2 308.451 1.995 10 0 DDAELP CC[NH+]1CCN(C(=O)Cc2c(C)[nH+]c3c(C)cccn23)CC1 ZINC000041292488 183183218 /nfs/dbraw/zinc/18/32/18/183183218.db2.gz ZPMMHCZFKIZJIY-UHFFFAOYSA-N 2 2 300.406 1.658 10 0 DDAELP CC(=O)N1CC[NH+](C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000062554774 184242243 /nfs/dbraw/zinc/24/22/43/184242243.db2.gz XGUXYQKAQCJKCG-UHFFFAOYSA-N 2 2 301.434 1.772 10 0 DDAELP [NH3+]C[C@@H](c1ccccc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977952 184264084 /nfs/dbraw/zinc/26/40/84/184264084.db2.gz SBYDCJMUHCOJMD-BBRMVZONSA-N 2 2 309.841 1.746 10 0 DDAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000119609054 195001264 /nfs/dbraw/zinc/00/12/64/195001264.db2.gz ZOLAPFFEQPKQBT-LBPRGKRZSA-N 2 2 322.409 1.121 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C[C@@H]1C ZINC000119808718 195040029 /nfs/dbraw/zinc/04/00/29/195040029.db2.gz IDWOBHQSNSNVRU-AWEZNQCLSA-N 2 2 306.410 1.965 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C[C@@H]1C ZINC000119808718 195040031 /nfs/dbraw/zinc/04/00/31/195040031.db2.gz IDWOBHQSNSNVRU-AWEZNQCLSA-N 2 2 306.410 1.965 10 0 DDAELP Cn1nc(COCC[NH+](C)C)c2c1C[N@H+](Cc1ccco1)CC2 ZINC000096094702 257133940 /nfs/dbraw/zinc/13/39/40/257133940.db2.gz SIIMHBNYEGOOKM-UHFFFAOYSA-N 2 2 318.421 1.650 10 0 DDAELP Cn1nc(COCC[NH+](C)C)c2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096094702 257133941 /nfs/dbraw/zinc/13/39/41/257133941.db2.gz SIIMHBNYEGOOKM-UHFFFAOYSA-N 2 2 318.421 1.650 10 0 DDAELP Cc1nnc([C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)[nH]1 ZINC000125535449 407391009 /nfs/dbraw/zinc/39/10/09/407391009.db2.gz LKNZPOBQUKJVHE-CQSZACIVSA-N 2 2 304.398 1.472 10 0 DDAELP Cc1nnc([C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)[nH]1 ZINC000125535449 407391010 /nfs/dbraw/zinc/39/10/10/407391010.db2.gz LKNZPOBQUKJVHE-CQSZACIVSA-N 2 2 304.398 1.472 10 0 DDAELP Cc1nc([C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)n[nH]1 ZINC000125535449 407391012 /nfs/dbraw/zinc/39/10/12/407391012.db2.gz LKNZPOBQUKJVHE-CQSZACIVSA-N 2 2 304.398 1.472 10 0 DDAELP Cc1nc([C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)n[nH]1 ZINC000125535449 407391013 /nfs/dbraw/zinc/39/10/13/407391013.db2.gz LKNZPOBQUKJVHE-CQSZACIVSA-N 2 2 304.398 1.472 10 0 DDAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000170708271 407479754 /nfs/dbraw/zinc/47/97/54/407479754.db2.gz MSGWMTOPAGURQZ-HNNXBMFYSA-N 2 2 306.410 1.200 10 0 DDAELP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000170708271 407479755 /nfs/dbraw/zinc/47/97/55/407479755.db2.gz MSGWMTOPAGURQZ-HNNXBMFYSA-N 2 2 306.410 1.200 10 0 DDAELP C[C@H]1C[C@H](C[NH3+])CN1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000261818964 407625703 /nfs/dbraw/zinc/62/57/03/407625703.db2.gz HDTAIDMHPQEQET-QWHCGFSZSA-N 2 2 308.389 1.989 10 0 DDAELP [NH3+][C@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000178853257 407627806 /nfs/dbraw/zinc/62/78/06/407627806.db2.gz VMRCJCHVDFQTNF-CVEARBPZSA-N 2 2 312.417 1.869 10 0 DDAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000262014595 407711123 /nfs/dbraw/zinc/71/11/23/407711123.db2.gz VVIULVNFSFEXFZ-BRWVUGGUSA-N 3 2 309.498 1.998 10 0 DDAELP COC(=O)COc1c(C)cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000262023772 407715249 /nfs/dbraw/zinc/71/52/49/407715249.db2.gz NKSAPXACXXJDSN-ZFWWWQNUSA-N 2 2 306.406 1.634 10 0 DDAELP COC(=O)COc1c(C)cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000262023772 407715255 /nfs/dbraw/zinc/71/52/55/407715255.db2.gz NKSAPXACXXJDSN-ZFWWWQNUSA-N 2 2 306.406 1.634 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000262133118 407748314 /nfs/dbraw/zinc/74/83/14/407748314.db2.gz YIYMFESRVVUFNE-MAUKXSAKSA-N 3 2 316.493 1.996 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000263071148 408016845 /nfs/dbraw/zinc/01/68/45/408016845.db2.gz WNEPLNBUBNOFSE-KWCYVHTRSA-N 2 2 313.392 1.459 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000263071148 408016851 /nfs/dbraw/zinc/01/68/51/408016851.db2.gz WNEPLNBUBNOFSE-KWCYVHTRSA-N 2 2 313.392 1.459 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000263216986 408061147 /nfs/dbraw/zinc/06/11/47/408061147.db2.gz LBAFDTCJXVTKSU-DOTOQJQBSA-N 2 2 301.365 1.558 10 0 DDAELP COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263219866 408061891 /nfs/dbraw/zinc/06/18/91/408061891.db2.gz LQHZRZOTSULGRU-BXKDBHETSA-N 2 2 305.205 1.672 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000263283163 408089457 /nfs/dbraw/zinc/08/94/57/408089457.db2.gz UOKIOHNRGPXMOT-SKDRFNHKSA-N 2 2 319.630 1.772 10 0 DDAELP C[C@H]1C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245956248 408109484 /nfs/dbraw/zinc/10/94/84/408109484.db2.gz WNBLJPZBEJBDIU-SRXPKIRMSA-N 2 2 306.454 1.347 10 0 DDAELP C[C@H]1C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245956248 408109490 /nfs/dbraw/zinc/10/94/90/408109490.db2.gz WNBLJPZBEJBDIU-SRXPKIRMSA-N 2 2 306.454 1.347 10 0 DDAELP C[C@H]([NH2+]Cc1nc(N)nc(N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909193 408135005 /nfs/dbraw/zinc/13/50/05/408135005.db2.gz KJIZWKBBWNQXHJ-JTQLQIEISA-N 2 2 310.365 1.073 10 0 DDAELP C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000183050784 408315199 /nfs/dbraw/zinc/31/51/99/408315199.db2.gz GYLHJHKUKKXRMK-OLZOCXBDSA-N 2 2 307.419 1.956 10 0 DDAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299547 408292192 /nfs/dbraw/zinc/29/21/92/408292192.db2.gz HXPRWIMOZQVZRY-ZBFHGGJFSA-N 2 2 320.433 1.955 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000173501034 162342939 /nfs/dbraw/zinc/34/29/39/162342939.db2.gz 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O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC1CCCC1 ZINC000195515696 163326336 /nfs/dbraw/zinc/32/63/36/163326336.db2.gz YBIGTKBKSYWZJP-CQSZACIVSA-N 2 2 302.422 1.874 10 0 DDAELP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C[C@@H](C)O1 ZINC000131871224 196205806 /nfs/dbraw/zinc/20/58/06/196205806.db2.gz HHXSZWYOXNYXOI-FMKPAKJESA-N 2 2 319.405 1.171 10 0 DDAELP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C[C@@H](C)O1 ZINC000131871224 196205807 /nfs/dbraw/zinc/20/58/07/196205807.db2.gz HHXSZWYOXNYXOI-FMKPAKJESA-N 2 2 319.405 1.171 10 0 DDAELP Cn1cncc1C[N@@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328622966 418607434 /nfs/dbraw/zinc/60/74/34/418607434.db2.gz BQOMDMZCRJJQJC-ZDUSSCGKSA-N 2 2 300.410 1.864 10 0 DDAELP Cn1cncc1C[N@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328622966 418607436 /nfs/dbraw/zinc/60/74/36/418607436.db2.gz BQOMDMZCRJJQJC-ZDUSSCGKSA-N 2 2 300.410 1.864 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1CC ZINC000168082051 484088966 /nfs/dbraw/zinc/08/89/66/484088966.db2.gz CRSZIUAUCOLUFL-ZDUSSCGKSA-N 2 2 309.410 1.311 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1CC ZINC000168082051 484088971 /nfs/dbraw/zinc/08/89/71/484088971.db2.gz CRSZIUAUCOLUFL-ZDUSSCGKSA-N 2 2 309.410 1.311 10 0 DDAELP CCn1cnnc1[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000681926435 486598766 /nfs/dbraw/zinc/59/87/66/486598766.db2.gz RYMASHNGNCIWOA-HNNXBMFYSA-N 2 2 318.425 1.657 10 0 DDAELP CCn1cnnc1[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000681926435 486598770 /nfs/dbraw/zinc/59/87/70/486598770.db2.gz RYMASHNGNCIWOA-HNNXBMFYSA-N 2 2 318.425 1.657 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000157879862 521614974 /nfs/dbraw/zinc/61/49/74/521614974.db2.gz FHDIHQSNSMKWBK-OWCLPIDISA-N 2 2 311.470 1.367 10 0 DDAELP O=c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc(-c2ccccc2F)[nH]1 ZINC000073696064 527479288 /nfs/dbraw/zinc/47/92/88/527479288.db2.gz DDGMDUCQPYTQEM-LBPRGKRZSA-N 2 2 316.380 1.665 10 0 DDAELP C[NH+]1CCN(c2cc(N3CCc4ccccc4C3)[nH+]c(N)n2)CC1 ZINC000045347419 536420240 /nfs/dbraw/zinc/42/02/40/536420240.db2.gz PEEXFUMXYMIAJR-UHFFFAOYSA-N 2 2 324.432 1.373 10 0 DDAELP Fc1ccc(F)c(CN2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000077120245 185110868 /nfs/dbraw/zinc/11/08/68/185110868.db2.gz DSOXOCAGLDCPJX-UHFFFAOYSA-N 2 2 306.360 1.979 10 0 DDAELP C[N@@H+]1CCC[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315872 185175798 /nfs/dbraw/zinc/17/57/98/185175798.db2.gz YGADTTACIZBIKU-OAHLLOKOSA-N 2 2 302.422 1.462 10 0 DDAELP C[N@H+]1CCC[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315872 185175799 /nfs/dbraw/zinc/17/57/99/185175799.db2.gz YGADTTACIZBIKU-OAHLLOKOSA-N 2 2 302.422 1.462 10 0 DDAELP C[N@@H+]1CCN(c2nc(NN)[nH+]cc2Br)CC1(C)C ZINC000087877297 185234206 /nfs/dbraw/zinc/23/42/06/185234206.db2.gz SMAMOTLGMCZHFX-UHFFFAOYSA-N 2 2 315.219 1.055 10 0 DDAELP C[N@H+]1CCN(c2nc(NN)[nH+]cc2Br)CC1(C)C ZINC000087877297 185234207 /nfs/dbraw/zinc/23/42/07/185234207.db2.gz SMAMOTLGMCZHFX-UHFFFAOYSA-N 2 2 315.219 1.055 10 0 DDAELP CCc1cc(N2CC[NH+]([C@H](CC)C(N)=S)CC2)nc(C)[nH+]1 ZINC000088760029 185264340 /nfs/dbraw/zinc/26/43/40/185264340.db2.gz WUIZMTQESCWSEJ-CYBMUJFWSA-N 2 2 307.467 1.534 10 0 DDAELP Clc1cc(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000090309420 185290424 /nfs/dbraw/zinc/29/04/24/185290424.db2.gz XTTNVVGXKMVIDM-UHFFFAOYSA-N 2 2 309.797 1.158 10 0 DDAELP COCC[NH2+]CC(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092495307 185322280 /nfs/dbraw/zinc/32/22/80/185322280.db2.gz UNKILDINGWKNBI-UHFFFAOYSA-N 2 2 308.769 1.700 10 0 DDAELP C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1[NH3+] ZINC000261918918 282289120 /nfs/dbraw/zinc/28/91/20/282289120.db2.gz BLPUBUOQNUSXEY-CABZTGNLSA-N 2 2 309.211 1.876 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](COC)C(C)C)nc[nH+]1 ZINC000180574391 199178089 /nfs/dbraw/zinc/17/80/89/199178089.db2.gz DNIBXDMLSVVDHF-ZIAGYGMSSA-N 2 2 307.442 1.748 10 0 DDAELP C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659157 199192037 /nfs/dbraw/zinc/19/20/37/199192037.db2.gz GYNILBCZOHYHHG-CQSZACIVSA-N 2 2 314.389 1.382 10 0 DDAELP [NH3+][C@@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508200 193375869 /nfs/dbraw/zinc/37/58/69/193375869.db2.gz MNZCYJVBZMLZFO-KBPBESRZSA-N 2 2 300.233 1.863 10 0 DDAELP [NH3+][C@H](Cc1ccc(Br)s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508221 193376253 /nfs/dbraw/zinc/37/62/53/193376253.db2.gz AGDXBVIPILYDNW-MNOVXSKESA-N 2 2 316.268 1.380 10 0 DDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCc1ccc(Cl)cc1 ZINC000040750025 183128986 /nfs/dbraw/zinc/12/89/86/183128986.db2.gz KESNGJLJEFJTFV-GOOCMWNKSA-N 2 2 307.825 1.910 10 0 DDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc(Cl)cc1 ZINC000040750025 183128988 /nfs/dbraw/zinc/12/89/88/183128988.db2.gz KESNGJLJEFJTFV-GOOCMWNKSA-N 2 2 307.825 1.910 10 0 DDAELP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000062324772 184230479 /nfs/dbraw/zinc/23/04/79/184230479.db2.gz OWVJLBFFENKPRU-LLVKDONJSA-N 2 2 306.391 1.107 10 0 DDAELP [NH3+]C[C@@H](c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977916 184264110 /nfs/dbraw/zinc/26/41/10/184264110.db2.gz NQSLDCFXIUYUDW-HOTGVXAUSA-N 2 2 309.841 1.746 10 0 DDAELP Cc1cccc(C)c1OCC(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142861 184392847 /nfs/dbraw/zinc/39/28/47/184392847.db2.gz XGIJTLKSHAXCJS-UHFFFAOYSA-N 2 2 305.422 1.175 10 0 DDAELP C[C@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000089592352 407140921 /nfs/dbraw/zinc/14/09/21/407140921.db2.gz AOBAVVMGJMVALP-NVXWUHKLSA-N 2 2 317.433 1.098 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000122533224 407304061 /nfs/dbraw/zinc/30/40/61/407304061.db2.gz ARLPKDANVVPZCL-MRXNPFEDSA-N 2 2 323.506 1.975 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000122533224 407304062 /nfs/dbraw/zinc/30/40/62/407304062.db2.gz ARLPKDANVVPZCL-MRXNPFEDSA-N 2 2 323.506 1.975 10 0 DDAELP O[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)C[NH+]1CCCCC1 ZINC000126140844 407406101 /nfs/dbraw/zinc/40/61/01/407406101.db2.gz IQUAHVYLTHAXMN-SJORKVTESA-N 2 2 314.433 1.936 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000178746754 407581755 /nfs/dbraw/zinc/58/17/55/407581755.db2.gz DLEMRVXRTRMHGW-INIZCTEOSA-N 2 2 323.400 1.864 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000178746754 407581760 /nfs/dbraw/zinc/58/17/60/407581760.db2.gz DLEMRVXRTRMHGW-INIZCTEOSA-N 2 2 323.400 1.864 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965895 407694508 /nfs/dbraw/zinc/69/45/08/407694508.db2.gz PZJNXKNCVXDKTE-DUQPFJRNSA-N 3 2 309.498 1.854 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965895 407694513 /nfs/dbraw/zinc/69/45/13/407694513.db2.gz PZJNXKNCVXDKTE-DUQPFJRNSA-N 3 2 309.498 1.854 10 0 DDAELP C[N@H+](C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262033384 407718061 /nfs/dbraw/zinc/71/80/61/407718061.db2.gz OGSGOIWTJWDGHV-KRWDZBQOSA-N 3 2 305.470 1.279 10 0 DDAELP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262033384 407718068 /nfs/dbraw/zinc/71/80/68/407718068.db2.gz OGSGOIWTJWDGHV-KRWDZBQOSA-N 3 2 305.470 1.279 10 0 DDAELP C[NH+](C)C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000116783889 407776244 /nfs/dbraw/zinc/77/62/44/407776244.db2.gz QTIVJOTWNCNUFM-INIZCTEOSA-N 2 2 314.389 1.275 10 0 DDAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263197873 408053918 /nfs/dbraw/zinc/05/39/18/408053918.db2.gz IRNCEPCVZIKWSL-IRXDYDNUSA-N 3 2 305.466 1.315 10 0 DDAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263197873 408053921 /nfs/dbraw/zinc/05/39/21/408053921.db2.gz IRNCEPCVZIKWSL-IRXDYDNUSA-N 3 2 305.466 1.315 10 0 DDAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263017083 408004196 /nfs/dbraw/zinc/00/41/96/408004196.db2.gz QLVLFIOITCHCNL-CABCVRRESA-N 2 2 323.387 1.764 10 0 DDAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263017083 408004199 /nfs/dbraw/zinc/00/41/99/408004199.db2.gz QLVLFIOITCHCNL-CABCVRRESA-N 2 2 323.387 1.764 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000263272198 408084765 /nfs/dbraw/zinc/08/47/65/408084765.db2.gz SIQPFEVDJPDGHD-KBPBESRZSA-N 2 2 301.394 1.297 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ncccn1 ZINC000245911382 408094892 /nfs/dbraw/zinc/09/48/92/408094892.db2.gz DJZWLFIIAORYNV-TZMCWYRMSA-N 2 2 314.393 1.473 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ncccn1 ZINC000245911382 408094899 /nfs/dbraw/zinc/09/48/99/408094899.db2.gz DJZWLFIIAORYNV-TZMCWYRMSA-N 2 2 314.393 1.473 10 0 DDAELP O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175600321 408172587 /nfs/dbraw/zinc/17/25/87/408172587.db2.gz OQOCODIXPIOHBP-CQSZACIVSA-N 2 2 302.382 1.344 10 0 DDAELP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000155717062 408199312 /nfs/dbraw/zinc/19/93/12/408199312.db2.gz TVXZXHQGIIREPF-CQSZACIVSA-N 2 2 305.422 1.199 10 0 DDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246672760 408315218 /nfs/dbraw/zinc/31/52/18/408315218.db2.gz HYMATLWMAWACDB-ZOBUZTSGSA-N 2 2 319.449 1.203 10 0 DDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246672760 408315222 /nfs/dbraw/zinc/31/52/22/408315222.db2.gz HYMATLWMAWACDB-ZOBUZTSGSA-N 2 2 319.449 1.203 10 0 DDAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)cn2)c[nH+]1 ZINC000177123040 408525543 /nfs/dbraw/zinc/52/55/43/408525543.db2.gz VJPFXDGPTBGDMG-OAHLLOKOSA-N 2 2 309.377 1.696 10 0 DDAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](n4cncn4)C3)cn2)c[nH+]1 ZINC000177123040 408525547 /nfs/dbraw/zinc/52/55/47/408525547.db2.gz VJPFXDGPTBGDMG-OAHLLOKOSA-N 2 2 309.377 1.696 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000252734416 408808491 /nfs/dbraw/zinc/80/84/91/408808491.db2.gz MJDVVLKKJXTLGI-KKUMJFAQSA-N 2 2 319.453 1.296 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000252734416 408808494 /nfs/dbraw/zinc/80/84/94/408808494.db2.gz MJDVVLKKJXTLGI-KKUMJFAQSA-N 2 2 319.453 1.296 10 0 DDAELP CCC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[NH+](C)C ZINC000161692502 263344909 /nfs/dbraw/zinc/34/49/09/263344909.db2.gz PQLWPTUOXCXSFK-HNNXBMFYSA-N 2 2 315.421 1.922 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000261757057 484255539 /nfs/dbraw/zinc/25/55/39/484255539.db2.gz NCNHZEIPTLWNLW-IAGOWNOFSA-N 2 2 312.417 1.923 10 0 DDAELP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000170834694 697350907 /nfs/dbraw/zinc/35/09/07/697350907.db2.gz SCMFRPVMLCQNTO-INIZCTEOSA-N 2 2 313.405 1.718 10 0 DDAELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000246223257 698345874 /nfs/dbraw/zinc/34/58/74/698345874.db2.gz DFFWMXQGXRVRIS-FXUDXRNXSA-N 2 2 317.433 1.311 10 0 DDAELP 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ZINC000121173392 354016698 /nfs/dbraw/zinc/01/66/98/354016698.db2.gz PGFPFEWZVQBAER-SJLPKXTDSA-N 2 2 317.433 1.146 10 0 DDAELP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000121173392 354016703 /nfs/dbraw/zinc/01/67/03/354016703.db2.gz PGFPFEWZVQBAER-SJLPKXTDSA-N 2 2 317.433 1.146 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnccn2)nc[nH+]1 ZINC000180573826 199178112 /nfs/dbraw/zinc/17/81/12/199178112.db2.gz YTQJDBCGUXQTHK-QWHCGFSZSA-N 2 2 313.409 1.628 10 0 DDAELP CCS(=O)(=O)CCC[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000091640490 193082457 /nfs/dbraw/zinc/08/24/57/193082457.db2.gz RDVNBMSRWCXIOJ-CQSZACIVSA-N 2 2 302.484 1.937 10 0 DDAELP CC[N@@H+]1CCO[C@H](c2noc(-c3csc([C@@H](C)[NH3+])n3)n2)C1 ZINC000093897180 193325276 /nfs/dbraw/zinc/32/52/76/193325276.db2.gz UCGVHBHQQURLHJ-SCZZXKLOSA-N 2 2 309.395 1.606 10 0 DDAELP CC[N@H+]1CCO[C@H](c2noc(-c3csc([C@@H](C)[NH3+])n3)n2)C1 ZINC000093897180 193325278 /nfs/dbraw/zinc/32/52/78/193325278.db2.gz UCGVHBHQQURLHJ-SCZZXKLOSA-N 2 2 309.395 1.606 10 0 DDAELP CO[C@H]1C[C@@H](CN(C)c2cc(N3CCCC3)[nH+]cn2)[N@H+](C)C1 ZINC000284620086 218102137 /nfs/dbraw/zinc/10/21/37/218102137.db2.gz SXRLNOGLDNYQJU-KBPBESRZSA-N 2 2 305.426 1.232 10 0 DDAELP CO[C@H]1C[C@@H](CN(C)c2cc(N3CCCC3)[nH+]cn2)[N@@H+](C)C1 ZINC000284620086 218102142 /nfs/dbraw/zinc/10/21/42/218102142.db2.gz SXRLNOGLDNYQJU-KBPBESRZSA-N 2 2 305.426 1.232 10 0 DDAELP COCCOc1ccccc1CN1CC[NH+](CCC[NH3+])CC1 ZINC000066143156 184393179 /nfs/dbraw/zinc/39/31/79/184393179.db2.gz CBIIAESFVGWRRY-UHFFFAOYSA-N 2 2 307.438 1.178 10 0 DDAELP CC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000164283999 132133308 /nfs/dbraw/zinc/13/33/08/132133308.db2.gz PDUVNFISNMFUST-INIZCTEOSA-N 2 2 321.469 1.278 10 0 DDAELP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000164283999 132133310 /nfs/dbraw/zinc/13/33/10/132133310.db2.gz PDUVNFISNMFUST-INIZCTEOSA-N 2 2 321.469 1.278 10 0 DDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCC1CCC1 ZINC000108858376 407392026 /nfs/dbraw/zinc/39/20/26/407392026.db2.gz IEMQTXBOYIDCQL-HNNXBMFYSA-N 2 2 302.422 1.732 10 0 DDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCC1CCC1 ZINC000108858376 407392027 /nfs/dbraw/zinc/39/20/27/407392027.db2.gz IEMQTXBOYIDCQL-HNNXBMFYSA-N 2 2 302.422 1.732 10 0 DDAELP CC[C@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)[NH+](C)C ZINC000151689697 407478288 /nfs/dbraw/zinc/47/82/88/407478288.db2.gz URUQTOYQBZNGNQ-MRXNPFEDSA-N 2 2 321.469 1.021 10 0 DDAELP Cn1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nnc1C1CC1 ZINC000261722785 407592198 /nfs/dbraw/zinc/59/21/98/407592198.db2.gz LFPITCOVZXQBSH-CVEARBPZSA-N 2 2 311.433 1.867 10 0 DDAELP Cn1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nnc1C1CC1 ZINC000261722785 407592204 /nfs/dbraw/zinc/59/22/04/407592204.db2.gz LFPITCOVZXQBSH-CVEARBPZSA-N 2 2 311.433 1.867 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000262195013 407763595 /nfs/dbraw/zinc/76/35/95/407763595.db2.gz 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ZINC000404330899 418770678 /nfs/dbraw/zinc/77/06/78/418770678.db2.gz YXNUSMRHYMOJIT-IVSAIRAKSA-N 2 2 319.449 1.470 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616611444 422516406 /nfs/dbraw/zinc/51/64/06/422516406.db2.gz DLWJNSFFGZONKM-ZDUSSCGKSA-N 2 2 306.410 1.978 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616611444 422516410 /nfs/dbraw/zinc/51/64/10/422516410.db2.gz DLWJNSFFGZONKM-ZDUSSCGKSA-N 2 2 306.410 1.978 10 0 DDAELP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000657489533 424375857 /nfs/dbraw/zinc/37/58/57/424375857.db2.gz XMDWCGHDNOMATR-WMLDXEAASA-N 2 2 317.437 1.937 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000247501299 282056720 /nfs/dbraw/zinc/05/67/20/282056720.db2.gz XKDBOHGZEUUKQS-HOTGVXAUSA-N 2 2 311.470 1.430 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000247501299 282056721 /nfs/dbraw/zinc/05/67/21/282056721.db2.gz XKDBOHGZEUUKQS-HOTGVXAUSA-N 2 2 311.470 1.430 10 0 DDAELP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171191597 697355437 /nfs/dbraw/zinc/35/54/37/697355437.db2.gz FGCMQSVVHOMAOA-MRXNPFEDSA-N 2 2 313.405 1.766 10 0 DDAELP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171191597 697355439 /nfs/dbraw/zinc/35/54/39/697355439.db2.gz FGCMQSVVHOMAOA-MRXNPFEDSA-N 2 2 313.405 1.766 10 0 DDAELP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000886078343 708693931 /nfs/dbraw/zinc/69/39/31/708693931.db2.gz WBLQIKFZHDSDTC-OAGGEKHMSA-N 2 2 318.417 1.535 10 0 DDAELP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000886078343 708693932 /nfs/dbraw/zinc/69/39/32/708693932.db2.gz WBLQIKFZHDSDTC-OAGGEKHMSA-N 2 2 318.417 1.535 10 0 DDAELP C[C@H](c1nc2ccccc2s1)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308435 185290121 /nfs/dbraw/zinc/29/01/21/185290121.db2.gz XLCOWNSTZKLBSW-GFCCVEGCSA-N 2 2 302.447 1.947 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195295253 201374924 /nfs/dbraw/zinc/37/49/24/201374924.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 2 2 316.449 1.362 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195295253 201374927 /nfs/dbraw/zinc/37/49/27/201374927.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 2 2 316.449 1.362 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000195295253 201374931 /nfs/dbraw/zinc/37/49/31/201374931.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 2 2 316.449 1.362 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000195295253 201374935 /nfs/dbraw/zinc/37/49/35/201374935.db2.gz WFUXHAOAJBCCME-KRWDZBQOSA-N 2 2 316.449 1.362 10 0 DDAELP C[NH2+]Cc1cc(Cl)c(OC[C@@H]2C[N@H+](C)CCO2)c(OC)c1 ZINC000092054020 193149599 /nfs/dbraw/zinc/14/95/99/193149599.db2.gz SASMJJFQYFZVFE-LBPRGKRZSA-N 2 2 314.813 1.777 10 0 DDAELP C[NH2+]Cc1cc(Cl)c(OC[C@@H]2C[N@@H+](C)CCO2)c(OC)c1 ZINC000092054020 193149600 /nfs/dbraw/zinc/14/96/00/193149600.db2.gz SASMJJFQYFZVFE-LBPRGKRZSA-N 2 2 314.813 1.777 10 0 DDAELP CC(C)[NH2+]Cc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000094757032 193395274 /nfs/dbraw/zinc/39/52/74/193395274.db2.gz JDEQFVURINBFNV-OAHLLOKOSA-N 2 2 311.451 1.199 10 0 DDAELP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)nc1 ZINC000094757032 193395276 /nfs/dbraw/zinc/39/52/76/193395276.db2.gz JDEQFVURINBFNV-OAHLLOKOSA-N 2 2 311.451 1.199 10 0 DDAELP CNC(=O)C[NH+]1CCC(Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000038535775 183001722 /nfs/dbraw/zinc/00/17/22/183001722.db2.gz ZIWDTMNHXQPMHK-UHFFFAOYSA-N 2 2 300.406 1.803 10 0 DDAELP CCC(CC)[N@H+](CCOC)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042615012 183291364 /nfs/dbraw/zinc/29/13/64/183291364.db2.gz LILGOHDRLHIMOX-UHFFFAOYSA-N 2 2 306.472 1.030 10 0 DDAELP CCC(CC)[N@@H+](CCOC)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042615012 183291367 /nfs/dbraw/zinc/29/13/67/183291367.db2.gz LILGOHDRLHIMOX-UHFFFAOYSA-N 2 2 306.472 1.030 10 0 DDAELP C[NH2+]Cc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)c(C)o1 ZINC000061948322 184197766 /nfs/dbraw/zinc/19/77/66/184197766.db2.gz SQIYLNMHBOMELN-UHFFFAOYSA-N 2 2 305.344 1.987 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000261942974 407683010 /nfs/dbraw/zinc/68/30/10/407683010.db2.gz DYJOCJZUJWHAKO-HOCLYGCPSA-N 2 2 317.433 1.467 10 0 DDAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000261942974 407683013 /nfs/dbraw/zinc/68/30/13/407683013.db2.gz DYJOCJZUJWHAKO-HOCLYGCPSA-N 2 2 317.433 1.467 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279546 407781894 /nfs/dbraw/zinc/78/18/94/407781894.db2.gz LOYWYHZZFPJCSB-ZENOOKHLSA-N 2 2 321.421 1.208 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279546 407781900 /nfs/dbraw/zinc/78/19/00/407781900.db2.gz LOYWYHZZFPJCSB-ZENOOKHLSA-N 2 2 321.421 1.208 10 0 DDAELP C[N@H+](CCO)C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000272168841 407803901 /nfs/dbraw/zinc/80/39/01/407803901.db2.gz GPDHNVXKCOYPBT-UHFFFAOYSA-N 2 2 303.328 1.993 10 0 DDAELP C[N@@H+](CCO)C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000272168841 407803908 /nfs/dbraw/zinc/80/39/08/407803908.db2.gz GPDHNVXKCOYPBT-UHFFFAOYSA-N 2 2 303.328 1.993 10 0 DDAELP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000262704358 407903561 /nfs/dbraw/zinc/90/35/61/407903561.db2.gz LDIKICPVLAXGTQ-QGZVFWFLSA-N 2 2 321.469 1.199 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)n(C)n1 ZINC000182349049 408132631 /nfs/dbraw/zinc/13/26/31/408132631.db2.gz MJDVVLKKJXTLGI-KFWWJZLASA-N 2 2 319.453 1.296 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)n(C)n1 ZINC000182349049 408132639 /nfs/dbraw/zinc/13/26/39/408132639.db2.gz MJDVVLKKJXTLGI-KFWWJZLASA-N 2 2 319.453 1.296 10 0 DDAELP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121352049 408188985 /nfs/dbraw/zinc/18/89/85/408188985.db2.gz OTNHWVOZIUNYMS-HOTGVXAUSA-N 2 2 323.481 1.430 10 0 DDAELP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121352049 408188992 /nfs/dbraw/zinc/18/89/92/408188992.db2.gz OTNHWVOZIUNYMS-HOTGVXAUSA-N 2 2 323.481 1.430 10 0 DDAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000155847548 408218842 /nfs/dbraw/zinc/21/88/42/408218842.db2.gz SPOQYHXLWRBUGB-HOTGVXAUSA-N 2 2 312.417 1.865 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000249042429 408680517 /nfs/dbraw/zinc/68/05/17/408680517.db2.gz VEPSMRLGHYUILY-YXJHDRRASA-N 2 2 319.449 1.164 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000249042429 408680524 /nfs/dbraw/zinc/68/05/24/408680524.db2.gz VEPSMRLGHYUILY-YXJHDRRASA-N 2 2 319.449 1.164 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195294301 222196676 /nfs/dbraw/zinc/19/66/76/222196676.db2.gz WTIFCDBHHCLFTB-MRXNPFEDSA-N 2 2 318.465 1.750 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195294301 222196679 /nfs/dbraw/zinc/19/66/79/222196679.db2.gz WTIFCDBHHCLFTB-MRXNPFEDSA-N 2 2 318.465 1.750 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000195294301 222196685 /nfs/dbraw/zinc/19/66/85/222196685.db2.gz WTIFCDBHHCLFTB-MRXNPFEDSA-N 2 2 318.465 1.750 10 0 DDAELP COc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c1 ZINC000643960683 423421384 /nfs/dbraw/zinc/42/13/84/423421384.db2.gz AAGDOTBBUQEORC-OLMNPRSZSA-N 2 2 320.433 1.651 10 0 DDAELP COc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c1 ZINC000643960683 423421388 /nfs/dbraw/zinc/42/13/88/423421388.db2.gz AAGDOTBBUQEORC-OLMNPRSZSA-N 2 2 320.433 1.651 10 0 DDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000176526451 282054978 /nfs/dbraw/zinc/05/49/78/282054978.db2.gz YQGSJJZKFUDMCL-CYBMUJFWSA-N 2 2 311.451 1.141 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000262069719 484261548 /nfs/dbraw/zinc/26/15/48/484261548.db2.gz BYALACVPQJNHQL-ZFWWWQNUSA-N 2 2 310.825 1.799 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000262123626 484264219 /nfs/dbraw/zinc/26/42/19/484264219.db2.gz MOYSFGPGDCMDCX-JOYOIKCWSA-N 2 2 303.175 1.258 10 0 DDAELP COc1c(N)[nH+]cnc1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000309705568 490733053 /nfs/dbraw/zinc/73/30/53/490733053.db2.gz HQCUUQNRPRPZQE-LBPRGKRZSA-N 2 2 301.394 2.000 10 0 DDAELP COc1c(N)[nH+]cnc1N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000309705568 490733056 /nfs/dbraw/zinc/73/30/56/490733056.db2.gz HQCUUQNRPRPZQE-LBPRGKRZSA-N 2 2 301.394 2.000 10 0 DDAELP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173329419 535144413 /nfs/dbraw/zinc/14/44/13/535144413.db2.gz SIKUURUEDQLMAY-INIZCTEOSA-N 2 2 309.454 1.040 10 0 DDAELP Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309925593 545655672 /nfs/dbraw/zinc/65/56/72/545655672.db2.gz SVPILELNZUWJSN-BRWVUGGUSA-N 2 2 311.433 1.815 10 0 DDAELP Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309925593 545655679 /nfs/dbraw/zinc/65/56/79/545655679.db2.gz SVPILELNZUWJSN-BRWVUGGUSA-N 2 2 311.433 1.815 10 0 DDAELP Cc1cc2c(nc(N(C)C)[nH+]c2NCCC[NH+]2CCOCC2)[nH]1 ZINC000223905901 697763392 /nfs/dbraw/zinc/76/33/92/697763392.db2.gz ZVLOAGCDIRSGLE-UHFFFAOYSA-N 2 2 318.425 1.467 10 0 DDAELP O=C([C@@H]1CCC[N@H+]1Cc1cc(Cl)ccn1)N1CC[NH2+]CC1 ZINC000092417123 185317073 /nfs/dbraw/zinc/31/70/73/185317073.db2.gz SHVXVJCMKHFRKH-AWEZNQCLSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccn1)N1CC[NH2+]CC1 ZINC000092417123 185317074 /nfs/dbraw/zinc/31/70/74/185317074.db2.gz SHVXVJCMKHFRKH-AWEZNQCLSA-N 2 2 308.813 1.131 10 0 DDAELP CCC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[NH+](C)C ZINC000091720112 193096629 /nfs/dbraw/zinc/09/66/29/193096629.db2.gz SUHSZDQJNYXEDX-NSHDSACASA-N 2 2 317.275 1.963 10 0 DDAELP Cc1ccn2c(C[N@H+]3CCc4nn(C)c(=O)cc4C3)c[nH+]c2c1 ZINC000093756282 193299996 /nfs/dbraw/zinc/29/99/96/193299996.db2.gz HDQPKHKJYDNKFD-UHFFFAOYSA-N 2 2 309.373 1.295 10 0 DDAELP Cc1ccn2c(C[N@@H+]3CCc4nn(C)c(=O)cc4C3)c[nH+]c2c1 ZINC000093756282 193299999 /nfs/dbraw/zinc/29/99/99/193299999.db2.gz HDQPKHKJYDNKFD-UHFFFAOYSA-N 2 2 309.373 1.295 10 0 DDAELP CC[NH2+]Cc1ccc(OCC[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000094300980 193358949 /nfs/dbraw/zinc/35/89/49/193358949.db2.gz RKQJTCIDNLSXPP-UHFFFAOYSA-N 2 2 314.451 1.151 10 0 DDAELP CC[NH2+]Cc1ccc(OCC[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000094300980 193358951 /nfs/dbraw/zinc/35/89/51/193358951.db2.gz RKQJTCIDNLSXPP-UHFFFAOYSA-N 2 2 314.451 1.151 10 0 DDAELP CC[NH2+][C@@H]1[C@H](C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316707 193359597 /nfs/dbraw/zinc/35/95/97/193359597.db2.gz GLICLZBUUAZPEG-BFHYXJOUSA-N 2 2 302.484 1.520 10 0 DDAELP CC[NH2+][C@@H]1[C@H](C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316707 193359599 /nfs/dbraw/zinc/35/95/99/193359599.db2.gz GLICLZBUUAZPEG-BFHYXJOUSA-N 2 2 302.484 1.520 10 0 DDAELP CCC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510521 193375085 /nfs/dbraw/zinc/37/50/85/193375085.db2.gz QGBHCRDZOVYVOJ-CVEARBPZSA-N 2 2 308.857 1.646 10 0 DDAELP Cc1cccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1 ZINC000040756891 183129459 /nfs/dbraw/zinc/12/94/59/183129459.db2.gz NVRQVBBNKHMTPZ-UHFFFAOYSA-N 2 2 313.409 1.685 10 0 DDAELP CC(C)[NH+](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)C(C)C ZINC000105785943 194127178 /nfs/dbraw/zinc/12/71/78/194127178.db2.gz YCJQKZZUTYRSFY-OAHLLOKOSA-N 2 2 321.469 1.968 10 0 DDAELP C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110763504 194357548 /nfs/dbraw/zinc/35/75/48/194357548.db2.gz LVHMSZGWHOXUQM-LBPRGKRZSA-N 2 2 311.451 1.421 10 0 DDAELP C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110763504 194357550 /nfs/dbraw/zinc/35/75/50/194357550.db2.gz LVHMSZGWHOXUQM-LBPRGKRZSA-N 2 2 311.451 1.421 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)CCOCC)OCCO2 ZINC000111119035 194391813 /nfs/dbraw/zinc/39/18/13/194391813.db2.gz JIPMPJKSBXIVDM-CABCVRRESA-N 2 2 300.443 1.619 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)CCOCC)OCCO2 ZINC000111119035 194391814 /nfs/dbraw/zinc/39/18/14/194391814.db2.gz JIPMPJKSBXIVDM-CABCVRRESA-N 2 2 300.443 1.619 10 0 DDAELP NC(=[NH2+])c1ccccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061941504 184197323 /nfs/dbraw/zinc/19/73/23/184197323.db2.gz MXQOTTYYVVZCIS-UHFFFAOYSA-N 2 2 300.328 1.651 10 0 DDAELP COc1cc(CN2CC[NH+](CCC[NH3+])CC2)ccc1OC(C)C ZINC000066143214 184393216 /nfs/dbraw/zinc/39/32/16/184393216.db2.gz GNEHIXAECFXJHJ-UHFFFAOYSA-N 2 2 321.465 1.949 10 0 DDAELP COc1cc(C[NH+]2CCN(CCC[NH3+])CC2)ccc1OC(C)C ZINC000066143214 184393218 /nfs/dbraw/zinc/39/32/18/184393218.db2.gz GNEHIXAECFXJHJ-UHFFFAOYSA-N 2 2 321.465 1.949 10 0 DDAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262054043 407726663 /nfs/dbraw/zinc/72/66/63/407726663.db2.gz ZZPOWNSZCUESTC-TVFCKZIOSA-N 3 2 309.498 1.854 10 0 DDAELP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262054043 407726668 /nfs/dbraw/zinc/72/66/68/407726668.db2.gz ZZPOWNSZCUESTC-TVFCKZIOSA-N 3 2 309.498 1.854 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000262364044 407812624 /nfs/dbraw/zinc/81/26/24/407812624.db2.gz VWSSRJAIAWAYCK-WFASDCNBSA-N 2 2 309.385 1.005 10 0 DDAELP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)n2c1 ZINC000245717190 408051822 /nfs/dbraw/zinc/05/18/22/408051822.db2.gz HEOUNNCSMVNLTE-CABCVRRESA-N 2 2 302.422 1.530 10 0 DDAELP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262977105 407991931 /nfs/dbraw/zinc/99/19/31/407991931.db2.gz MKAGRFKXCKLBLN-UONOGXRCSA-N 2 2 309.360 1.374 10 0 DDAELP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262977105 407991935 /nfs/dbraw/zinc/99/19/35/407991935.db2.gz MKAGRFKXCKLBLN-UONOGXRCSA-N 2 2 309.360 1.374 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000263245812 408073492 /nfs/dbraw/zinc/07/34/92/408073492.db2.gz PGVVFPZUMSDWOW-SKDRFNHKSA-N 2 2 319.630 1.772 10 0 DDAELP Cc1ccc(-c2nc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cs2)cc1 ZINC000263271515 408084986 /nfs/dbraw/zinc/08/49/86/408084986.db2.gz SGMMFGBKHWGZDK-DZGCQCFKSA-N 2 2 303.431 1.788 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263277625 408088221 /nfs/dbraw/zinc/08/82/21/408088221.db2.gz TVUVQDWFZCCRCH-CRAIPNDOSA-N 3 2 321.440 1.003 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ncccn1 ZINC000245911377 408092700 /nfs/dbraw/zinc/09/27/00/408092700.db2.gz DJZWLFIIAORYNV-OCCSQVGLSA-N 2 2 314.393 1.473 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ncccn1 ZINC000245911377 408092712 /nfs/dbraw/zinc/09/27/12/408092712.db2.gz DJZWLFIIAORYNV-OCCSQVGLSA-N 2 2 314.393 1.473 10 0 DDAELP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263319085 408104751 /nfs/dbraw/zinc/10/47/51/408104751.db2.gz ZXKSVZCMYOVZSV-RYUDHWBXSA-N 2 2 316.348 1.357 10 0 DDAELP Cn1cccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121236760 408167383 /nfs/dbraw/zinc/16/73/83/408167383.db2.gz FWXSWTSKCLYBFL-UHFFFAOYSA-N 2 2 301.438 1.818 10 0 DDAELP Cn1cccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121236760 408167388 /nfs/dbraw/zinc/16/73/88/408167388.db2.gz FWXSWTSKCLYBFL-UHFFFAOYSA-N 2 2 301.438 1.818 10 0 DDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246884649 408361811 /nfs/dbraw/zinc/36/18/11/408361811.db2.gz GXDKEIDVQPZKIQ-XHSDSOJGSA-N 2 2 309.454 1.040 10 0 DDAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246884649 408361812 /nfs/dbraw/zinc/36/18/12/408361812.db2.gz GXDKEIDVQPZKIQ-XHSDSOJGSA-N 2 2 309.454 1.040 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000173698405 162358703 /nfs/dbraw/zinc/35/87/03/162358703.db2.gz KDXIJRAJFYXENJ-MRXNPFEDSA-N 2 2 306.454 1.805 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000173698405 162358704 /nfs/dbraw/zinc/35/87/04/162358704.db2.gz KDXIJRAJFYXENJ-MRXNPFEDSA-N 2 2 306.454 1.805 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247190161 408423944 /nfs/dbraw/zinc/42/39/44/408423944.db2.gz SPIPHTMKJIJIDS-GJZGRUSLSA-N 2 2 319.453 1.917 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247190161 408423951 /nfs/dbraw/zinc/42/39/51/408423951.db2.gz SPIPHTMKJIJIDS-GJZGRUSLSA-N 2 2 319.453 1.917 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nccn2C)nc[nH+]1 ZINC000183217004 306709987 /nfs/dbraw/zinc/70/99/87/306709987.db2.gz KDGRLJJTEDDKAF-QWHCGFSZSA-N 2 2 315.425 1.571 10 0 DDAELP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177776496 408708536 /nfs/dbraw/zinc/70/85/36/408708536.db2.gz MCOFTMYYUWFAGZ-OAHLLOKOSA-N 2 2 309.373 1.765 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2ccc[nH+]c2N)C1 ZINC000616612026 422517755 /nfs/dbraw/zinc/51/77/55/422517755.db2.gz JUOHKFYVYPFNNC-LBPRGKRZSA-N 2 2 306.410 1.978 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CC[C@H](c2ccc[nH+]c2N)C1 ZINC000616612026 422517758 /nfs/dbraw/zinc/51/77/58/422517758.db2.gz JUOHKFYVYPFNNC-LBPRGKRZSA-N 2 2 306.410 1.978 10 0 DDAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648812 422532498 /nfs/dbraw/zinc/53/24/98/422532498.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 3 2 317.477 1.507 10 0 DDAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648812 422532501 /nfs/dbraw/zinc/53/25/01/422532501.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648812 422532503 /nfs/dbraw/zinc/53/25/03/422532503.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648812 422532504 /nfs/dbraw/zinc/53/25/04/422532504.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 3 2 317.477 1.507 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000333023885 298313871 /nfs/dbraw/zinc/31/38/71/298313871.db2.gz GHDUJCRFEWSSML-ILXRZTDVSA-N 2 2 305.426 1.540 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC[N@H+]1C ZINC000333023885 298313872 /nfs/dbraw/zinc/31/38/72/298313872.db2.gz GHDUJCRFEWSSML-ILXRZTDVSA-N 2 2 305.426 1.540 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000246204528 698345445 /nfs/dbraw/zinc/34/54/45/698345445.db2.gz FHDIHQSNSMKWBK-ARFHVFGLSA-N 2 2 311.470 1.367 10 0 DDAELP [NH3+][C@H]1CCC2(C[C@@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419642 185249485 /nfs/dbraw/zinc/24/94/85/185249485.db2.gz OMRPAHFCADWWQU-RYUDHWBXSA-N 2 2 308.344 1.884 10 0 DDAELP [NH3+]CCCC[NH+]1CCN(c2ncncc2Br)CC1 ZINC000090780590 192932969 /nfs/dbraw/zinc/93/29/69/192932969.db2.gz PYRCCPVLEUNGBP-UHFFFAOYSA-N 2 2 314.231 1.100 10 0 DDAELP Cc1ccc(C(N)=S)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091671478 193089576 /nfs/dbraw/zinc/08/95/76/193089576.db2.gz SWUMLKPNJDBUBJ-VXGBXAGGSA-N 2 2 306.435 1.299 10 0 DDAELP Cc1ccc(C(N)=S)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091671478 193089577 /nfs/dbraw/zinc/08/95/77/193089577.db2.gz SWUMLKPNJDBUBJ-VXGBXAGGSA-N 2 2 306.435 1.299 10 0 DDAELP CC[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)[NH+](C)C ZINC000622591846 365445225 /nfs/dbraw/zinc/44/52/25/365445225.db2.gz SKSHGLKJZTVADN-KBPBESRZSA-N 2 2 308.426 1.344 10 0 DDAELP C[C@@H]([NH3+])c1nc(-c2nc([C@H]3C[N@H+](C)CCN3C)no2)cs1 ZINC000093892793 193324246 /nfs/dbraw/zinc/32/42/46/193324246.db2.gz PAWGHKHUTOLLOY-PSASIEDQSA-N 2 2 308.411 1.131 10 0 DDAELP C[C@@H]([NH3+])c1nc(-c2nc([C@H]3C[N@@H+](C)CCN3C)no2)cs1 ZINC000093892793 193324247 /nfs/dbraw/zinc/32/42/47/193324247.db2.gz PAWGHKHUTOLLOY-PSASIEDQSA-N 2 2 308.411 1.131 10 0 DDAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@@H]1C[N@H+](C)CCN1C ZINC000093894536 193325998 /nfs/dbraw/zinc/32/59/98/193325998.db2.gz JKJIRLKZYONJQV-CABCVRRESA-N 2 2 311.857 1.725 10 0 DDAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894536 193325999 /nfs/dbraw/zinc/32/59/99/193325999.db2.gz JKJIRLKZYONJQV-CABCVRRESA-N 2 2 311.857 1.725 10 0 DDAELP C[NH2+][C@@H](Cc1ccc(Br)cc1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509211 193375411 /nfs/dbraw/zinc/37/54/11/193375411.db2.gz NETRVZUZFWDYKZ-LSDHHAIUSA-N 2 2 324.266 1.579 10 0 DDAELP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[NH+](CCO)CCO ZINC000042954095 183322282 /nfs/dbraw/zinc/32/22/82/183322282.db2.gz YAPDWFFQGHYVQM-ZWNOBZJWSA-N 2 2 317.227 1.124 10 0 DDAELP Cc1c[nH]c(CN(C)c2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)[nH+]1 ZINC000046159490 183554816 /nfs/dbraw/zinc/55/48/16/183554816.db2.gz GORKFHCKEMSESU-CYBMUJFWSA-N 2 2 300.410 1.920 10 0 DDAELP CC(C)C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[NH+](C)C ZINC000105786893 194126101 /nfs/dbraw/zinc/12/61/01/194126101.db2.gz MVWQEOWWQJZIDW-CABCVRRESA-N 2 2 321.469 1.826 10 0 DDAELP Cc1ccsc1[C@H]([C@H](C)[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977924 184264116 /nfs/dbraw/zinc/26/41/16/184264116.db2.gz HNEOZTOFCLVNCX-KKUMJFAQSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@H]([C@H](C)[NH3+])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977924 184264117 /nfs/dbraw/zinc/26/41/17/184264117.db2.gz HNEOZTOFCLVNCX-KKUMJFAQSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977924 184264119 /nfs/dbraw/zinc/26/41/19/184264119.db2.gz HNEOZTOFCLVNCX-KKUMJFAQSA-N 2 2 309.479 1.851 10 0 DDAELP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000152560385 407652505 /nfs/dbraw/zinc/65/25/05/407652505.db2.gz KKBKBGVGGTZLMS-OAHLLOKOSA-N 2 2 314.474 1.080 10 0 DDAELP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000152560385 407652508 /nfs/dbraw/zinc/65/25/08/407652508.db2.gz KKBKBGVGGTZLMS-OAHLLOKOSA-N 2 2 314.474 1.080 10 0 DDAELP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCSC1 ZINC000261998414 407706765 /nfs/dbraw/zinc/70/67/65/407706765.db2.gz UGFASBVYTCBRJI-FPCVCCKLSA-N 2 2 313.511 1.170 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116295784 407742128 /nfs/dbraw/zinc/74/21/28/407742128.db2.gz PCXAGGXTSUDRPD-LSDHHAIUSA-N 2 2 305.422 1.969 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)CC1 ZINC000116295784 407742129 /nfs/dbraw/zinc/74/21/29/407742129.db2.gz PCXAGGXTSUDRPD-LSDHHAIUSA-N 2 2 305.422 1.969 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000262729581 407910599 /nfs/dbraw/zinc/91/05/99/407910599.db2.gz BJGLJAGJUIDPCY-OAHLLOKOSA-N 2 2 323.387 1.718 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000262729581 407910604 /nfs/dbraw/zinc/91/06/04/407910604.db2.gz BJGLJAGJUIDPCY-OAHLLOKOSA-N 2 2 323.387 1.718 10 0 DDAELP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263133415 408035653 /nfs/dbraw/zinc/03/56/53/408035653.db2.gz BWZLQLCQAQLFBB-HUUCEWRRSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263133415 408035658 /nfs/dbraw/zinc/03/56/58/408035658.db2.gz BWZLQLCQAQLFBB-HUUCEWRRSA-N 2 2 323.387 1.764 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000263283161 408090044 /nfs/dbraw/zinc/09/00/44/408090044.db2.gz UOKIOHNRGPXMOT-CABZTGNLSA-N 2 2 319.630 1.772 10 0 DDAELP C[N@H+](CCN1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000248582437 408593074 /nfs/dbraw/zinc/59/30/74/408593074.db2.gz WISDTIUUQJLQAW-GOSISDBHSA-N 2 2 321.440 1.664 10 0 DDAELP C[N@@H+](CCN1CC[C@@H]([NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000248582437 408593078 /nfs/dbraw/zinc/59/30/78/408593078.db2.gz WISDTIUUQJLQAW-GOSISDBHSA-N 2 2 321.440 1.664 10 0 DDAELP CCOc1ccnc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000163003807 408751560 /nfs/dbraw/zinc/75/15/60/408751560.db2.gz WBWPLUQWKXMIEO-OAHLLOKOSA-N 2 2 319.453 1.482 10 0 DDAELP CCOc1ccnc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000163003807 408751565 /nfs/dbraw/zinc/75/15/65/408751565.db2.gz WBWPLUQWKXMIEO-OAHLLOKOSA-N 2 2 319.453 1.482 10 0 DDAELP C[C@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190783666 163158701 /nfs/dbraw/zinc/15/87/01/163158701.db2.gz NGNFKQUWELXLCG-PBHICJAKSA-N 2 2 323.481 1.476 10 0 DDAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284459484 271003278 /nfs/dbraw/zinc/00/32/78/271003278.db2.gz HISRWFROSARWCI-DOTOQJQBSA-N 2 2 316.453 1.809 10 0 DDAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284459484 271003287 /nfs/dbraw/zinc/00/32/87/271003287.db2.gz HISRWFROSARWCI-DOTOQJQBSA-N 2 2 316.453 1.809 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000261633357 295272092 /nfs/dbraw/zinc/27/20/92/295272092.db2.gz BZCDZWRABRMVAH-HUUCEWRRSA-N 2 2 302.422 1.673 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000168408927 298217688 /nfs/dbraw/zinc/21/76/88/298217688.db2.gz QRPBIQUMOFBZOY-OLZOCXBDSA-N 2 2 304.438 1.946 10 0 DDAELP c1ccc(C[N@H+]2CCO[C@H]3CN(C[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813146 484256500 /nfs/dbraw/zinc/25/65/00/484256500.db2.gz HTQBTSWKAGZOMF-QRVBRYPASA-N 2 2 315.461 1.571 10 0 DDAELP c1ccc(C[N@@H+]2CCO[C@H]3CN(C[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813146 484256503 /nfs/dbraw/zinc/25/65/03/484256503.db2.gz HTQBTSWKAGZOMF-QRVBRYPASA-N 2 2 315.461 1.571 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1cc2[nH]cccc-2c1=O ZINC000190275938 697587897 /nfs/dbraw/zinc/58/78/97/697587897.db2.gz PLEMSVOSMZYZOF-CQSZACIVSA-N 2 2 311.389 1.664 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cc2[nH]cccc-2c1=O ZINC000190275938 697587900 /nfs/dbraw/zinc/58/79/00/697587900.db2.gz PLEMSVOSMZYZOF-CQSZACIVSA-N 2 2 311.389 1.664 10 0 DDAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679904 699241813 /nfs/dbraw/zinc/24/18/13/699241813.db2.gz MYABIELBSLOXGJ-QRVBRYPASA-N 2 2 318.461 1.838 10 0 DDAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679904 699241816 /nfs/dbraw/zinc/24/18/16/699241816.db2.gz MYABIELBSLOXGJ-QRVBRYPASA-N 2 2 318.461 1.838 10 0 DDAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679904 699241819 /nfs/dbraw/zinc/24/18/19/699241819.db2.gz MYABIELBSLOXGJ-QRVBRYPASA-N 2 2 318.461 1.838 10 0 DDAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679904 699241822 /nfs/dbraw/zinc/24/18/22/699241822.db2.gz MYABIELBSLOXGJ-QRVBRYPASA-N 2 2 318.461 1.838 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886075319 708692969 /nfs/dbraw/zinc/69/29/69/708692969.db2.gz IZGLVEQCLPWPDN-ZNMIVQPWSA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886075319 708692971 /nfs/dbraw/zinc/69/29/71/708692971.db2.gz IZGLVEQCLPWPDN-ZNMIVQPWSA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886075319 708692973 /nfs/dbraw/zinc/69/29/73/708692973.db2.gz IZGLVEQCLPWPDN-ZNMIVQPWSA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886075319 708692975 /nfs/dbraw/zinc/69/29/75/708692975.db2.gz IZGLVEQCLPWPDN-ZNMIVQPWSA-N 2 2 306.410 1.100 10 0 DDAELP CCCNC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272369 539570342 /nfs/dbraw/zinc/57/03/42/539570342.db2.gz PMNHIAZNXAJWSK-CMPLNLGQSA-N 2 2 311.455 1.844 10 0 DDAELP CCCNC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272369 539570345 /nfs/dbraw/zinc/57/03/45/539570345.db2.gz PMNHIAZNXAJWSK-CMPLNLGQSA-N 2 2 311.455 1.844 10 0 DDAELP CCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291335 201373203 /nfs/dbraw/zinc/37/32/03/201373203.db2.gz OWCCAFQGZMEITK-KRWDZBQOSA-N 2 2 318.465 1.752 10 0 DDAELP CCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195291335 201373206 /nfs/dbraw/zinc/37/32/06/201373206.db2.gz OWCCAFQGZMEITK-KRWDZBQOSA-N 2 2 318.465 1.752 10 0 DDAELP CCCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195291335 201373207 /nfs/dbraw/zinc/37/32/07/201373207.db2.gz OWCCAFQGZMEITK-KRWDZBQOSA-N 2 2 318.465 1.752 10 0 DDAELP CCCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195291335 201373210 /nfs/dbraw/zinc/37/32/10/201373210.db2.gz OWCCAFQGZMEITK-KRWDZBQOSA-N 2 2 318.465 1.752 10 0 DDAELP C[NH2+][C@H](Cc1c(Br)c(C)nn1C)C(C)(C)[NH+](C)C ZINC000091528823 193069766 /nfs/dbraw/zinc/06/97/66/193069766.db2.gz UGFGUNIHTRGGBL-LLVKDONJSA-N 2 2 317.275 1.962 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093914019 193328438 /nfs/dbraw/zinc/32/84/38/193328438.db2.gz LWPKPQGSHBZXIC-SMDDNHRTSA-N 2 2 314.861 1.709 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093914019 193328439 /nfs/dbraw/zinc/32/84/39/193328439.db2.gz LWPKPQGSHBZXIC-SMDDNHRTSA-N 2 2 314.861 1.709 10 0 DDAELP [NH3+]Cc1sccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094445245 193371903 /nfs/dbraw/zinc/37/19/03/193371903.db2.gz KFMXBHZSSRAXMU-LLVKDONJSA-N 2 2 315.464 1.066 10 0 DDAELP [NH3+]Cc1sccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094445245 193371904 /nfs/dbraw/zinc/37/19/04/193371904.db2.gz KFMXBHZSSRAXMU-LLVKDONJSA-N 2 2 315.464 1.066 10 0 DDAELP C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000170830520 248322574 /nfs/dbraw/zinc/32/25/74/248322574.db2.gz FHKISJKTDSWNQB-OAHLLOKOSA-N 2 2 317.437 1.396 10 0 DDAELP CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1csc(Br)c1 ZINC000042361976 183258330 /nfs/dbraw/zinc/25/83/30/183258330.db2.gz MIQQKPZWEDCFMD-SNVBAGLBSA-N 2 2 307.257 1.913 10 0 DDAELP CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000042361976 183258331 /nfs/dbraw/zinc/25/83/31/183258331.db2.gz MIQQKPZWEDCFMD-SNVBAGLBSA-N 2 2 307.257 1.913 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(O)c2)nc[nH+]1 ZINC000105904877 194167433 /nfs/dbraw/zinc/16/74/33/194167433.db2.gz IKMISVQPSPGPTC-AWEZNQCLSA-N 2 2 313.405 1.983 10 0 DDAELP CCOC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915904 194167695 /nfs/dbraw/zinc/16/76/95/194167695.db2.gz MNKJUIVENCSDNJ-UHFFFAOYSA-N 2 2 308.426 1.233 10 0 DDAELP CCOC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915904 194167698 /nfs/dbraw/zinc/16/76/98/194167698.db2.gz MNKJUIVENCSDNJ-UHFFFAOYSA-N 2 2 308.426 1.233 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)CCOCC)OCCO2 ZINC000111119040 194392328 /nfs/dbraw/zinc/39/23/28/194392328.db2.gz JIPMPJKSBXIVDM-HUUCEWRRSA-N 2 2 300.443 1.619 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)CCOCC)OCCO2 ZINC000111119040 194392331 /nfs/dbraw/zinc/39/23/31/194392331.db2.gz JIPMPJKSBXIVDM-HUUCEWRRSA-N 2 2 300.443 1.619 10 0 DDAELP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000119609213 195001988 /nfs/dbraw/zinc/00/19/88/195001988.db2.gz ZOLAPFFEQPKQBT-GFCCVEGCSA-N 2 2 322.409 1.121 10 0 DDAELP C[NH+](C)C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248099945 257109649 /nfs/dbraw/zinc/10/96/49/257109649.db2.gz HJRPGUFPOHDVGS-WMLDXEAASA-N 2 2 304.390 1.425 10 0 DDAELP C[NH+](C)C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248099945 257109651 /nfs/dbraw/zinc/10/96/51/257109651.db2.gz HJRPGUFPOHDVGS-WMLDXEAASA-N 2 2 304.390 1.425 10 0 DDAELP CCC[C@@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000121951672 195379716 /nfs/dbraw/zinc/37/97/16/195379716.db2.gz BKNPXAURKLIJIJ-HOTGVXAUSA-N 2 2 312.502 1.105 10 0 DDAELP CCC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000121951672 195379718 /nfs/dbraw/zinc/37/97/18/195379718.db2.gz BKNPXAURKLIJIJ-HOTGVXAUSA-N 2 2 312.502 1.105 10 0 DDAELP CCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000127459155 407437680 /nfs/dbraw/zinc/43/76/80/407437680.db2.gz CCJKPTUVYWXXKF-QGZVFWFLSA-N 3 2 324.513 1.392 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000113232987 407482475 /nfs/dbraw/zinc/48/24/75/407482475.db2.gz RZSPIKPURFFACL-DZGCQCFKSA-N 2 2 311.389 1.576 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000113232987 407482479 /nfs/dbraw/zinc/48/24/79/407482479.db2.gz RZSPIKPURFFACL-DZGCQCFKSA-N 2 2 311.389 1.576 10 0 DDAELP C[N@H+](Cc1cnc(N)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000261688474 407581000 /nfs/dbraw/zinc/58/10/00/407581000.db2.gz ASAPDHLMSNBBIR-UHFFFAOYSA-N 2 2 320.466 1.518 10 0 DDAELP C[N@@H+](Cc1cnc(N)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000261688474 407581004 /nfs/dbraw/zinc/58/10/04/407581004.db2.gz ASAPDHLMSNBBIR-UHFFFAOYSA-N 2 2 320.466 1.518 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261936329 407678167 /nfs/dbraw/zinc/67/81/67/407678167.db2.gz DGCTZHZDIGMBDS-CZUORRHYSA-N 2 2 307.442 1.310 10 0 DDAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2c1 ZINC000262029037 407716420 /nfs/dbraw/zinc/71/64/20/407716420.db2.gz XHQQSONWLNGIEG-BBWFWOEESA-N 2 2 314.433 1.889 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262426361 407832213 /nfs/dbraw/zinc/83/22/13/407832213.db2.gz FKXSMCRLVPHDQI-AEGPPILISA-N 2 2 301.390 1.497 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262426361 407832216 /nfs/dbraw/zinc/83/22/16/407832216.db2.gz FKXSMCRLVPHDQI-AEGPPILISA-N 2 2 301.390 1.497 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000262566246 407869020 /nfs/dbraw/zinc/86/90/20/407869020.db2.gz WREZNEDFDLQUHC-TUAOUCFPSA-N 2 2 306.410 1.580 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000262566246 407869027 /nfs/dbraw/zinc/86/90/27/407869027.db2.gz WREZNEDFDLQUHC-TUAOUCFPSA-N 2 2 306.410 1.580 10 0 DDAELP COC[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751247 162299347 /nfs/dbraw/zinc/29/93/47/162299347.db2.gz OXNDRCFTZQTYJC-HNNXBMFYSA-N 2 2 311.470 1.335 10 0 DDAELP CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247366089 408457072 /nfs/dbraw/zinc/45/70/72/408457072.db2.gz MZLLQZPXFAASTC-GJZGRUSLSA-N 2 2 307.438 1.991 10 0 DDAELP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247366089 408457077 /nfs/dbraw/zinc/45/70/77/408457077.db2.gz MZLLQZPXFAASTC-GJZGRUSLSA-N 2 2 307.438 1.991 10 0 DDAELP CC[N@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C1CC1 ZINC000177480977 408633492 /nfs/dbraw/zinc/63/34/92/408633492.db2.gz YTBLFMJRKFBIOZ-OAHLLOKOSA-N 2 2 305.426 1.541 10 0 DDAELP CC[N@@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C1CC1 ZINC000177480977 408633496 /nfs/dbraw/zinc/63/34/96/408633496.db2.gz YTBLFMJRKFBIOZ-OAHLLOKOSA-N 2 2 305.426 1.541 10 0 DDAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193462129 263486252 /nfs/dbraw/zinc/48/62/52/263486252.db2.gz JOZBDWVWBYULGB-OAHLLOKOSA-N 2 2 321.469 1.923 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698372 424479816 /nfs/dbraw/zinc/47/98/16/424479816.db2.gz WSNMVUCFSWDNBW-DJIMGWMZSA-N 2 2 301.434 1.575 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698372 424479825 /nfs/dbraw/zinc/47/98/25/424479825.db2.gz WSNMVUCFSWDNBW-DJIMGWMZSA-N 2 2 301.434 1.575 10 0 DDAELP c1cn2c(cccc2C[NH2+][C@H]2CCCN(c3cccnn3)C2)[nH+]1 ZINC000179036605 275072984 /nfs/dbraw/zinc/07/29/84/275072984.db2.gz KPLBFVNTUAFVOB-AWEZNQCLSA-N 2 2 308.389 1.883 10 0 DDAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261749180 297111786 /nfs/dbraw/zinc/11/17/86/297111786.db2.gz QAAGBTDQRJVSNZ-MCIONIFRSA-N 2 2 323.462 1.093 10 0 DDAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000392971293 307294719 /nfs/dbraw/zinc/29/47/19/307294719.db2.gz MSNRGCIPVHKIBV-UAGQMJEPSA-N 2 2 301.434 1.908 10 0 DDAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000392971293 307294720 /nfs/dbraw/zinc/29/47/20/307294720.db2.gz MSNRGCIPVHKIBV-UAGQMJEPSA-N 2 2 301.434 1.908 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000262123631 484263560 /nfs/dbraw/zinc/26/35/60/484263560.db2.gz MOYSFGPGDCMDCX-SKDRFNHKSA-N 2 2 303.175 1.258 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309718159 698666694 /nfs/dbraw/zinc/66/66/94/698666694.db2.gz MSFCHYNLLDRKBJ-GVDBMIGSSA-N 2 2 322.474 1.531 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309718159 698666696 /nfs/dbraw/zinc/66/66/96/698666696.db2.gz MSFCHYNLLDRKBJ-GVDBMIGSSA-N 2 2 322.474 1.531 10 0 DDAELP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000090566005 185304151 /nfs/dbraw/zinc/30/41/51/185304151.db2.gz CFYDGIWUHWXMGS-KGLIPLIRSA-N 2 2 310.467 1.280 10 0 DDAELP [NH3+]C[C@@H]1c2cc(F)c(F)c(F)c2CN1CC[NH+]1CCOCC1 ZINC000071683693 191006632 /nfs/dbraw/zinc/00/66/32/191006632.db2.gz FIAFYQXAAVDBRC-CYBMUJFWSA-N 2 2 315.339 1.252 10 0 DDAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000395014529 354649758 /nfs/dbraw/zinc/64/97/58/354649758.db2.gz MYNJKRRLPWGVOM-CQSZACIVSA-N 2 2 313.239 1.995 10 0 DDAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000395014529 354649762 /nfs/dbraw/zinc/64/97/62/354649762.db2.gz MYNJKRRLPWGVOM-CQSZACIVSA-N 2 2 313.239 1.995 10 0 DDAELP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105194331 194084236 /nfs/dbraw/zinc/08/42/36/194084236.db2.gz WHJCXFNWNGYCDJ-OAHLLOKOSA-N 2 2 314.474 1.128 10 0 DDAELP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105194331 194084239 /nfs/dbraw/zinc/08/42/39/194084239.db2.gz WHJCXFNWNGYCDJ-OAHLLOKOSA-N 2 2 314.474 1.128 10 0 DDAELP CC(C)OCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845673 194145927 /nfs/dbraw/zinc/14/59/27/194145927.db2.gz PCVRPKWWFYITOJ-QGZVFWFLSA-N 2 2 313.486 1.138 10 0 DDAELP CC(C)OCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845673 194145929 /nfs/dbraw/zinc/14/59/29/194145929.db2.gz PCVRPKWWFYITOJ-QGZVFWFLSA-N 2 2 313.486 1.138 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)CCOCC)OCCO2 ZINC000111119043 194392027 /nfs/dbraw/zinc/39/20/27/194392027.db2.gz JIPMPJKSBXIVDM-LSDHHAIUSA-N 2 2 300.443 1.619 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)CCOCC)OCCO2 ZINC000111119043 194392029 /nfs/dbraw/zinc/39/20/29/194392029.db2.gz JIPMPJKSBXIVDM-LSDHHAIUSA-N 2 2 300.443 1.619 10 0 DDAELP Cc1c[nH+]ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000120856253 195251288 /nfs/dbraw/zinc/25/12/88/195251288.db2.gz ISDFSJXOEVOKBO-ZFWWWQNUSA-N 2 2 304.394 1.574 10 0 DDAELP O=C(Cc1cn2ccccc2[nH+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000069663656 184834906 /nfs/dbraw/zinc/83/49/06/184834906.db2.gz NVUKKIPXKGPYBK-UHFFFAOYSA-N 2 2 312.417 1.964 10 0 DDAELP CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897748 407357001 /nfs/dbraw/zinc/35/70/01/407357001.db2.gz QNWLPEIUVPEKTA-AWEZNQCLSA-N 2 2 313.467 1.907 10 0 DDAELP CCCS(=O)(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897748 407357003 /nfs/dbraw/zinc/35/70/03/407357003.db2.gz QNWLPEIUVPEKTA-AWEZNQCLSA-N 2 2 313.467 1.907 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCCN(c2[nH+]cnc3c2cnn3C)C1 ZINC000171545635 407702078 /nfs/dbraw/zinc/70/20/78/407702078.db2.gz YZMBABQKIBXUJV-GFCCVEGCSA-N 2 2 311.393 1.964 10 0 DDAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)no1 ZINC000262257747 407776422 /nfs/dbraw/zinc/77/64/22/407776422.db2.gz QURGBEKDMQDHIV-AWEZNQCLSA-N 2 2 302.378 1.567 10 0 DDAELP [NH3+]Cc1nc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)no1 ZINC000262257747 407776428 /nfs/dbraw/zinc/77/64/28/407776428.db2.gz QURGBEKDMQDHIV-AWEZNQCLSA-N 2 2 302.378 1.567 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262426371 407831272 /nfs/dbraw/zinc/83/12/72/407831272.db2.gz FKXSMCRLVPHDQI-CFVMTHIKSA-N 2 2 301.390 1.497 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262426371 407831279 /nfs/dbraw/zinc/83/12/79/407831279.db2.gz FKXSMCRLVPHDQI-CFVMTHIKSA-N 2 2 301.390 1.497 10 0 DDAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000175945216 408246875 /nfs/dbraw/zinc/24/68/75/408246875.db2.gz QBTKMWGRDAGIJD-HNNXBMFYSA-N 2 2 320.437 1.277 10 0 DDAELP CCOCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000175945216 408246880 /nfs/dbraw/zinc/24/68/80/408246880.db2.gz QBTKMWGRDAGIJD-HNNXBMFYSA-N 2 2 320.437 1.277 10 0 DDAELP COCC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000177130820 408526668 /nfs/dbraw/zinc/52/66/68/408526668.db2.gz ZZJKBZSPMXZZBD-OAHLLOKOSA-N 2 2 315.421 1.420 10 0 DDAELP COCC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000177130820 408526672 /nfs/dbraw/zinc/52/66/72/408526672.db2.gz ZZJKBZSPMXZZBD-OAHLLOKOSA-N 2 2 315.421 1.420 10 0 DDAELP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177787403 408714028 /nfs/dbraw/zinc/71/40/28/408714028.db2.gz ILDCWZINOCVUBN-OAHLLOKOSA-N 2 2 313.405 1.714 10 0 DDAELP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177787403 408714035 /nfs/dbraw/zinc/71/40/35/408714035.db2.gz ILDCWZINOCVUBN-OAHLLOKOSA-N 2 2 313.405 1.714 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCC(F)(F)F ZINC000178292668 408800763 /nfs/dbraw/zinc/80/07/63/408800763.db2.gz WFRHHHJOQYXDPT-JQWIXIFHSA-N 2 2 318.343 1.723 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCC(F)(F)F ZINC000178292668 408800766 /nfs/dbraw/zinc/80/07/66/408800766.db2.gz WFRHHHJOQYXDPT-JQWIXIFHSA-N 2 2 318.343 1.723 10 0 DDAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638803876 423129259 /nfs/dbraw/zinc/12/92/59/423129259.db2.gz QJVJOAHKJSUGLZ-GJZGRUSLSA-N 2 2 323.387 1.622 10 0 DDAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638803876 423129263 /nfs/dbraw/zinc/12/92/63/423129263.db2.gz QJVJOAHKJSUGLZ-GJZGRUSLSA-N 2 2 323.387 1.622 10 0 DDAELP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000113216639 281072055 /nfs/dbraw/zinc/07/20/55/281072055.db2.gz XDGWKBYFXMRODP-FPCVCCKLSA-N 2 2 300.443 1.221 10 0 DDAELP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000113216639 281072058 /nfs/dbraw/zinc/07/20/58/281072058.db2.gz XDGWKBYFXMRODP-FPCVCCKLSA-N 2 2 300.443 1.221 10 0 DDAELP Cc1nc(NC[C@H]2C[N@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000322970237 484413778 /nfs/dbraw/zinc/41/37/78/484413778.db2.gz RHHCFWRMIAYDSS-JTQLQIEISA-N 2 2 315.215 1.598 10 0 DDAELP Cc1nc(NC[C@H]2C[N@@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000322970237 484413783 /nfs/dbraw/zinc/41/37/83/484413783.db2.gz RHHCFWRMIAYDSS-JTQLQIEISA-N 2 2 315.215 1.598 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(F)nc2)nc[nH+]1 ZINC000189069458 697570649 /nfs/dbraw/zinc/57/06/49/697570649.db2.gz CWJMWAOJQNSVCV-CYBMUJFWSA-N 2 2 316.384 1.811 10 0 DDAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000262374042 698466530 /nfs/dbraw/zinc/46/65/30/698466530.db2.gz XROKOLIJASWZCJ-VNHYZAJKSA-N 2 2 306.406 1.875 10 0 DDAELP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)COCc3ccccc3)C[C@@]2(C)C1 ZINC000705679903 699241749 /nfs/dbraw/zinc/24/17/49/699241749.db2.gz MYABIELBSLOXGJ-IPMKNSEASA-N 2 2 318.461 1.838 10 0 DDAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cocn3)C2)ccn1 ZINC000886068764 708692066 /nfs/dbraw/zinc/69/20/66/708692066.db2.gz PWVNGAQAGYVINU-INIZCTEOSA-N 2 2 302.378 1.785 10 0 DDAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cocn3)C2)ccn1 ZINC000886068764 708692068 /nfs/dbraw/zinc/69/20/68/708692068.db2.gz PWVNGAQAGYVINU-INIZCTEOSA-N 2 2 302.378 1.785 10 0 DDAELP C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081902236 192337115 /nfs/dbraw/zinc/33/71/15/192337115.db2.gz IUZUMQQLABEQJM-QWHCGFSZSA-N 2 2 307.419 1.956 10 0 DDAELP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000087545698 185227862 /nfs/dbraw/zinc/22/78/62/185227862.db2.gz WAKRYVZTJJCHFA-LLVKDONJSA-N 2 2 308.407 1.211 10 0 DDAELP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000087545698 185227863 /nfs/dbraw/zinc/22/78/63/185227863.db2.gz WAKRYVZTJJCHFA-LLVKDONJSA-N 2 2 308.407 1.211 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2c[nH]nc2C)nc[nH+]1 ZINC000180851209 539236372 /nfs/dbraw/zinc/23/63/72/539236372.db2.gz KHDYECLBVCFJRQ-DGCLKSJQSA-N 2 2 315.425 1.869 10 0 DDAELP C[C@@H](C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000261846812 295713295 /nfs/dbraw/zinc/71/32/95/295713295.db2.gz MDXUUWYPODKVPT-UKRRQHHQSA-N 2 2 316.449 1.937 10 0 DDAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237606156 202300336 /nfs/dbraw/zinc/30/03/36/202300336.db2.gz SFUCVOKOUBYTCR-CABCVRRESA-N 2 2 320.437 1.453 10 0 DDAELP Cc1cc(C)c(C[NH2+]C2CC2)c(N(C)CCS(C)(=O)=O)[nH+]1 ZINC000094300776 193358933 /nfs/dbraw/zinc/35/89/33/193358933.db2.gz LJJKFHPMEWMRPE-UHFFFAOYSA-N 2 2 311.451 1.431 10 0 DDAELP CCC[NH2+][C@@H]1[C@H](C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316699 193359609 /nfs/dbraw/zinc/35/96/09/193359609.db2.gz XXGFVTCESOYYNE-RRFJBIMHSA-N 2 2 316.511 1.910 10 0 DDAELP CCC[NH2+][C@@H]1[C@H](C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316699 193359611 /nfs/dbraw/zinc/35/96/11/193359611.db2.gz XXGFVTCESOYYNE-RRFJBIMHSA-N 2 2 316.511 1.910 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000105897281 194162313 /nfs/dbraw/zinc/16/23/13/194162313.db2.gz RDNVBMKDFMZFEM-GJZGRUSLSA-N 2 2 322.453 1.624 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000105897281 194162314 /nfs/dbraw/zinc/16/23/14/194162314.db2.gz RDNVBMKDFMZFEM-GJZGRUSLSA-N 2 2 322.453 1.624 10 0 DDAELP CC[N@@H+]1CCC[C@@H]1CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536819 184173119 /nfs/dbraw/zinc/17/31/19/184173119.db2.gz JSZFQTFAUKRJFQ-SNVBAGLBSA-N 2 2 307.789 1.607 10 0 DDAELP CC[N@H+]1CCC[C@@H]1CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536819 184173120 /nfs/dbraw/zinc/17/31/20/184173120.db2.gz JSZFQTFAUKRJFQ-SNVBAGLBSA-N 2 2 307.789 1.607 10 0 DDAELP CCC[NH2+][C@@H](CCN(CC[NH+](C)C)CC(C)C)C(=O)OC ZINC000062456435 184237258 /nfs/dbraw/zinc/23/72/58/184237258.db2.gz QQOZYLXNQBDVFK-HNNXBMFYSA-N 2 2 301.475 1.437 10 0 DDAELP CC[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977881 184264516 /nfs/dbraw/zinc/26/45/16/184264516.db2.gz MNVDVVXOGNCETL-HRCADAONSA-N 2 2 309.479 1.933 10 0 DDAELP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)CCc2ccccc2)CC1 ZINC000064677774 184302527 /nfs/dbraw/zinc/30/25/27/184302527.db2.gz JPSXPKRGDFEASM-UHFFFAOYSA-N 2 2 314.433 1.455 10 0 DDAELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000261683629 407578060 /nfs/dbraw/zinc/57/80/60/407578060.db2.gz AKBXLTCKQMYDRJ-FUHWJXTLSA-N 3 2 316.493 1.998 10 0 DDAELP CC(C)c1nc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262098838 407738941 /nfs/dbraw/zinc/73/89/41/407738941.db2.gz LXUGHEYYPXKDAV-ZDUSSCGKSA-N 2 2 321.425 1.152 10 0 DDAELP CC(C)c1nc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262098838 407738948 /nfs/dbraw/zinc/73/89/48/407738948.db2.gz LXUGHEYYPXKDAV-ZDUSSCGKSA-N 2 2 321.425 1.152 10 0 DDAELP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262210625 407765161 /nfs/dbraw/zinc/76/51/61/407765161.db2.gz DXHSQABLHZIWDP-OAHLLOKOSA-N 2 2 305.422 1.083 10 0 DDAELP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262210625 407765169 /nfs/dbraw/zinc/76/51/69/407765169.db2.gz DXHSQABLHZIWDP-OAHLLOKOSA-N 2 2 305.422 1.083 10 0 DDAELP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000237963002 407857196 /nfs/dbraw/zinc/85/71/96/407857196.db2.gz KPLJMTNJYRTKGJ-LSDHHAIUSA-N 2 2 302.422 1.816 10 0 DDAELP CC[N@@H+]1CCO[C@H](C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000174816701 407994767 /nfs/dbraw/zinc/99/47/67/407994767.db2.gz ULTKYYRMYHUPBQ-HNNXBMFYSA-N 2 2 320.437 1.149 10 0 DDAELP CC[N@H+]1CCO[C@H](C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000174816701 407994771 /nfs/dbraw/zinc/99/47/71/407994771.db2.gz ULTKYYRMYHUPBQ-HNNXBMFYSA-N 2 2 320.437 1.149 10 0 DDAELP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)n2c1 ZINC000245717192 408053161 /nfs/dbraw/zinc/05/31/61/408053161.db2.gz HEOUNNCSMVNLTE-GJZGRUSLSA-N 2 2 302.422 1.530 10 0 DDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@@H+]1C1CC1 ZINC000245730856 408053389 /nfs/dbraw/zinc/05/33/89/408053389.db2.gz JJZXEUBZGDDJMF-QLFBSQMISA-N 2 2 301.438 1.660 10 0 DDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@H+]1C1CC1 ZINC000245730856 408053393 /nfs/dbraw/zinc/05/33/93/408053393.db2.gz JJZXEUBZGDDJMF-QLFBSQMISA-N 2 2 301.438 1.660 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281678 408090112 /nfs/dbraw/zinc/09/01/12/408090112.db2.gz UIUPOIFYTWXXOT-YGPBLSMFSA-N 3 2 315.461 1.352 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263281678 408090114 /nfs/dbraw/zinc/09/01/14/408090114.db2.gz UIUPOIFYTWXXOT-YGPBLSMFSA-N 3 2 315.461 1.352 10 0 DDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(CC)n2C)[C@@H](C)C1 ZINC000189995858 408141421 /nfs/dbraw/zinc/14/14/21/408141421.db2.gz ACTYJEAJUIQJJN-GJZGRUSLSA-N 2 2 323.485 1.604 10 0 DDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(CC)n2C)[C@@H](C)C1 ZINC000189995858 408141429 /nfs/dbraw/zinc/14/14/29/408141429.db2.gz ACTYJEAJUIQJJN-GJZGRUSLSA-N 2 2 323.485 1.604 10 0 DDAELP Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000175547157 408157911 /nfs/dbraw/zinc/15/79/11/408157911.db2.gz VAKJDIIROPYISG-CQSZACIVSA-N 2 2 322.453 1.974 10 0 DDAELP CC[C@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@@H+]1CCOC ZINC000190523889 408268464 /nfs/dbraw/zinc/26/84/64/408268464.db2.gz GLIWLZZUWWKDSL-AWEZNQCLSA-N 2 2 323.437 1.641 10 0 DDAELP CC[C@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@H+]1CCOC ZINC000190523889 408268469 /nfs/dbraw/zinc/26/84/69/408268469.db2.gz GLIWLZZUWWKDSL-AWEZNQCLSA-N 2 2 323.437 1.641 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173501117 162343816 /nfs/dbraw/zinc/34/38/16/162343816.db2.gz XOUWNKIFSMAVFV-AWEZNQCLSA-N 2 2 305.426 1.529 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000173501117 162343818 /nfs/dbraw/zinc/34/38/18/162343818.db2.gz XOUWNKIFSMAVFV-AWEZNQCLSA-N 2 2 305.426 1.529 10 0 DDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000177364748 408590202 /nfs/dbraw/zinc/59/02/02/408590202.db2.gz GGTYZQZALCNORB-OAHLLOKOSA-N 2 2 319.453 1.773 10 0 DDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000177364748 408590207 /nfs/dbraw/zinc/59/02/07/408590207.db2.gz GGTYZQZALCNORB-OAHLLOKOSA-N 2 2 319.453 1.773 10 0 DDAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177487291 408637441 /nfs/dbraw/zinc/63/74/41/408637441.db2.gz WXRVJXVXIDIDNJ-HUUCEWRRSA-N 2 2 307.442 1.787 10 0 DDAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177487291 408637447 /nfs/dbraw/zinc/63/74/47/408637447.db2.gz WXRVJXVXIDIDNJ-HUUCEWRRSA-N 2 2 307.442 1.787 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000263216987 163932789 /nfs/dbraw/zinc/93/27/89/163932789.db2.gz LBAFDTCJXVTKSU-NVXWUHKLSA-N 2 2 301.365 1.558 10 0 DDAELP C[NH+](C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391025914 307294102 /nfs/dbraw/zinc/29/41/02/307294102.db2.gz SCJZEKOUDIETFA-IPQPSQTFSA-N 3 2 317.477 1.694 10 0 DDAELP C[NH+](C)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391025914 307294103 /nfs/dbraw/zinc/29/41/03/307294103.db2.gz SCJZEKOUDIETFA-IPQPSQTFSA-N 3 2 317.477 1.694 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000248645229 282095528 /nfs/dbraw/zinc/09/55/28/282095528.db2.gz GBELWMHRGKISGN-KBPBESRZSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000248645229 282095531 /nfs/dbraw/zinc/09/55/31/282095531.db2.gz GBELWMHRGKISGN-KBPBESRZSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000248645229 282095533 /nfs/dbraw/zinc/09/55/33/282095533.db2.gz GBELWMHRGKISGN-KBPBESRZSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000248645229 282095538 /nfs/dbraw/zinc/09/55/38/282095538.db2.gz GBELWMHRGKISGN-KBPBESRZSA-N 2 2 322.478 1.436 10 0 DDAELP O=C([C@H]1CCC[N@H+]1Cc1ccncc1Cl)N1CC[NH2+]CC1 ZINC000088782489 185265705 /nfs/dbraw/zinc/26/57/05/185265705.db2.gz BGVAEMNPGPAYDQ-CQSZACIVSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@H]1CCC[N@@H+]1Cc1ccncc1Cl)N1CC[NH2+]CC1 ZINC000088782489 185265706 /nfs/dbraw/zinc/26/57/06/185265706.db2.gz BGVAEMNPGPAYDQ-CQSZACIVSA-N 2 2 308.813 1.131 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CCCOC)nc[nH+]1 ZINC000180573415 199177772 /nfs/dbraw/zinc/17/77/72/199177772.db2.gz KPOCRJHHPGJVTA-KGLIPLIRSA-N 2 2 307.442 1.892 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195269379 201368743 /nfs/dbraw/zinc/36/87/43/201368743.db2.gz VWAHGOFKQBENNE-KGLIPLIRSA-N 2 2 317.355 1.759 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195269379 201368745 /nfs/dbraw/zinc/36/87/45/201368745.db2.gz VWAHGOFKQBENNE-KGLIPLIRSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195269379 201368747 /nfs/dbraw/zinc/36/87/47/201368747.db2.gz VWAHGOFKQBENNE-KGLIPLIRSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195269379 201368748 /nfs/dbraw/zinc/36/87/48/201368748.db2.gz VWAHGOFKQBENNE-KGLIPLIRSA-N 2 2 317.355 1.759 10 0 DDAELP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282178 201373980 /nfs/dbraw/zinc/37/39/80/201373980.db2.gz RFTWPGLPSAOTGR-KRWDZBQOSA-N 2 2 318.465 1.704 10 0 DDAELP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282178 201373984 /nfs/dbraw/zinc/37/39/84/201373984.db2.gz RFTWPGLPSAOTGR-KRWDZBQOSA-N 2 2 318.465 1.704 10 0 DDAELP CCN(CC)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282178 201373987 /nfs/dbraw/zinc/37/39/87/201373987.db2.gz RFTWPGLPSAOTGR-KRWDZBQOSA-N 2 2 318.465 1.704 10 0 DDAELP CCN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282178 201373988 /nfs/dbraw/zinc/37/39/88/201373988.db2.gz RFTWPGLPSAOTGR-KRWDZBQOSA-N 2 2 318.465 1.704 10 0 DDAELP C[N@@H+]1CCO[C@@H](COc2ccc(C[NH3+])cc2Br)C1 ZINC000092054469 193149268 /nfs/dbraw/zinc/14/92/68/193149268.db2.gz IQQFCQJVWRDMAS-LLVKDONJSA-N 2 2 315.211 1.617 10 0 DDAELP C[N@H+]1CCO[C@@H](COc2ccc(C[NH3+])cc2Br)C1 ZINC000092054469 193149270 /nfs/dbraw/zinc/14/92/70/193149270.db2.gz IQQFCQJVWRDMAS-LLVKDONJSA-N 2 2 315.211 1.617 10 0 DDAELP CC(C)c1nc(N2CC[C@H]([NH+]3CCOCC3)C2)sc1C[NH3+] ZINC000093000318 193192260 /nfs/dbraw/zinc/19/22/60/193192260.db2.gz YEGVMMYFCOIRJV-LBPRGKRZSA-N 2 2 310.467 1.636 10 0 DDAELP [NH3+][C@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508321 193375655 /nfs/dbraw/zinc/37/56/55/193375655.db2.gz JMTRVDFPICHMEK-KGLIPLIRSA-N 2 2 300.233 1.863 10 0 DDAELP C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110763495 194356858 /nfs/dbraw/zinc/35/68/58/194356858.db2.gz FCNXREIVJCGGJI-LBPRGKRZSA-N 2 2 311.451 1.421 10 0 DDAELP C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110763495 194356861 /nfs/dbraw/zinc/35/68/61/194356861.db2.gz FCNXREIVJCGGJI-LBPRGKRZSA-N 2 2 311.451 1.421 10 0 DDAELP C[N@@H+]1CCC[C@@H](CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061540806 184173533 /nfs/dbraw/zinc/17/35/33/184173533.db2.gz LRRQYYDPNRDBID-JTQLQIEISA-N 2 2 307.789 1.464 10 0 DDAELP C[N@H+]1CCC[C@@H](CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061540806 184173535 /nfs/dbraw/zinc/17/35/35/184173535.db2.gz LRRQYYDPNRDBID-JTQLQIEISA-N 2 2 307.789 1.464 10 0 DDAELP Cc1oncc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000128537391 407547985 /nfs/dbraw/zinc/54/79/85/407547985.db2.gz IRALEDLMZFPUQL-KRWDZBQOSA-N 2 2 322.453 1.210 10 0 DDAELP Cc1oncc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000128537391 407547989 /nfs/dbraw/zinc/54/79/89/407547989.db2.gz IRALEDLMZFPUQL-KRWDZBQOSA-N 2 2 322.453 1.210 10 0 DDAELP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262017761 407712398 /nfs/dbraw/zinc/71/23/98/407712398.db2.gz WHRKEKWKBXZUPJ-KFWWJZLASA-N 2 2 319.453 1.251 10 0 DDAELP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000262661295 407894221 /nfs/dbraw/zinc/89/42/21/407894221.db2.gz NSVHMZAGCBUFQT-DLBZAZTESA-N 2 2 319.449 1.564 10 0 DDAELP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC[N@H+]1CCOC ZINC000262661295 407894225 /nfs/dbraw/zinc/89/42/25/407894225.db2.gz NSVHMZAGCBUFQT-DLBZAZTESA-N 2 2 319.449 1.564 10 0 DDAELP Cc1cccn2c(CN3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c[nH+]c12 ZINC000245788134 408066715 /nfs/dbraw/zinc/06/67/15/408066715.db2.gz VOXCFQMRKMFKHI-LSDHHAIUSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1cccn2c(CN3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c[nH+]c12 ZINC000245788134 408066724 /nfs/dbraw/zinc/06/67/24/408066724.db2.gz VOXCFQMRKMFKHI-LSDHHAIUSA-N 2 2 302.422 1.530 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000263277529 408087797 /nfs/dbraw/zinc/08/77/97/408087797.db2.gz TUARTZKSRGPDGG-BXKDBHETSA-N 2 2 303.175 1.258 10 0 DDAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000176526435 408387874 /nfs/dbraw/zinc/38/78/74/408387874.db2.gz YQGSJJZKFUDMCL-ZDUSSCGKSA-N 2 2 311.451 1.141 10 0 DDAELP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000174241669 162399807 /nfs/dbraw/zinc/39/98/07/162399807.db2.gz DVNRXYJWCFYMSH-OAHLLOKOSA-N 2 2 314.474 1.125 10 0 DDAELP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000174241669 162399811 /nfs/dbraw/zinc/39/98/11/162399811.db2.gz DVNRXYJWCFYMSH-OAHLLOKOSA-N 2 2 314.474 1.125 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177394945 408599577 /nfs/dbraw/zinc/59/95/77/408599577.db2.gz NPVHADPMRQMJOJ-LSDHHAIUSA-N 2 2 307.442 1.787 10 0 DDAELP c1ccc(C[N@H+]2CCO[C@H]3CN(C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813141 484256464 /nfs/dbraw/zinc/25/64/64/484256464.db2.gz HTQBTSWKAGZOMF-OTWHNJEPSA-N 2 2 315.461 1.571 10 0 DDAELP c1ccc(C[N@@H+]2CCO[C@H]3CN(C[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000261813141 484256473 /nfs/dbraw/zinc/25/64/73/484256473.db2.gz HTQBTSWKAGZOMF-OTWHNJEPSA-N 2 2 315.461 1.571 10 0 DDAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177593410 697414017 /nfs/dbraw/zinc/41/40/17/697414017.db2.gz KAAHNWBCRGJGNP-BZUAXINKSA-N 2 2 319.453 1.930 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262352862 698466038 /nfs/dbraw/zinc/46/60/38/698466038.db2.gz JIAQBSXAZRLUEI-GUTXKFCHSA-N 2 2 321.421 1.208 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262352862 698466040 /nfs/dbraw/zinc/46/60/40/698466040.db2.gz JIAQBSXAZRLUEI-GUTXKFCHSA-N 2 2 321.421 1.208 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660317 282097420 /nfs/dbraw/zinc/09/74/20/282097420.db2.gz VWAHGOFKQBENNE-UONOGXRCSA-N 2 2 317.355 1.759 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660317 282097422 /nfs/dbraw/zinc/09/74/22/282097422.db2.gz VWAHGOFKQBENNE-UONOGXRCSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660317 282097426 /nfs/dbraw/zinc/09/74/26/282097426.db2.gz VWAHGOFKQBENNE-UONOGXRCSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660317 282097429 /nfs/dbraw/zinc/09/74/29/282097429.db2.gz VWAHGOFKQBENNE-UONOGXRCSA-N 2 2 317.355 1.759 10 0 DDAELP CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088544476 185257226 /nfs/dbraw/zinc/25/72/26/185257226.db2.gz BSHZMVDTMSIHEZ-LBPRGKRZSA-N 2 2 315.439 1.104 10 0 DDAELP O=C([C@@H]1CCC[N@H+]1Cc1ccncc1Cl)N1CC[NH2+]CC1 ZINC000088782490 185265700 /nfs/dbraw/zinc/26/57/00/185265700.db2.gz BGVAEMNPGPAYDQ-AWEZNQCLSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccncc1Cl)N1CC[NH2+]CC1 ZINC000088782490 185265701 /nfs/dbraw/zinc/26/57/01/185265701.db2.gz BGVAEMNPGPAYDQ-AWEZNQCLSA-N 2 2 308.813 1.131 10 0 DDAELP Brc1ccsc1C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090307342 185290097 /nfs/dbraw/zinc/29/00/97/185290097.db2.gz AISQGYYKSMPPQC-UHFFFAOYSA-N 2 2 316.268 1.600 10 0 DDAELP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173978965 295747833 /nfs/dbraw/zinc/74/78/33/295747833.db2.gz GYVRJNKWMGQNDC-HOTGVXAUSA-N 2 2 309.454 1.184 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901532 198005538 /nfs/dbraw/zinc/00/55/38/198005538.db2.gz MSIOSRUJDNVPJK-AWEZNQCLSA-N 2 2 303.410 1.373 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171901532 198005540 /nfs/dbraw/zinc/00/55/40/198005540.db2.gz MSIOSRUJDNVPJK-AWEZNQCLSA-N 2 2 303.410 1.373 10 0 DDAELP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1CCOC ZINC000180087112 199115527 /nfs/dbraw/zinc/11/55/27/199115527.db2.gz XIUJWWCWVXBAHP-OAHLLOKOSA-N 2 2 302.422 1.877 10 0 DDAELP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1CCOC ZINC000180087112 199115529 /nfs/dbraw/zinc/11/55/29/199115529.db2.gz XIUJWWCWVXBAHP-OAHLLOKOSA-N 2 2 302.422 1.877 10 0 DDAELP O[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)C[NH+]1CCCCC1 ZINC000194997321 201323910 /nfs/dbraw/zinc/32/39/10/201323910.db2.gz VTJISGDKEYWSBL-JKSUJKDBSA-N 2 2 315.421 1.331 10 0 DDAELP C[N@H+](Cc1cccc(Br)c1)[C@@H](C[NH3+])CC(N)=O ZINC000091314719 193039109 /nfs/dbraw/zinc/03/91/09/193039109.db2.gz DOLSYDGKNCJQRY-LLVKDONJSA-N 2 2 300.200 1.084 10 0 DDAELP C[N@@H+](Cc1cccc(Br)c1)[C@@H](C[NH3+])CC(N)=O ZINC000091314719 193039113 /nfs/dbraw/zinc/03/91/13/193039113.db2.gz DOLSYDGKNCJQRY-LLVKDONJSA-N 2 2 300.200 1.084 10 0 DDAELP CCn1nc(C)c(Br)c1C[C@H](C[NH+](C)C)[NH2+]C ZINC000091719659 193097436 /nfs/dbraw/zinc/09/74/36/193097436.db2.gz LMQCEELGFUSPMV-SNVBAGLBSA-N 2 2 303.248 1.666 10 0 DDAELP O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000262359952 203272997 /nfs/dbraw/zinc/27/29/97/203272997.db2.gz KEXRBDLRYPINEY-GFCCVEGCSA-N 2 2 324.450 1.446 10 0 DDAELP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000094300933 193358781 /nfs/dbraw/zinc/35/87/81/193358781.db2.gz YKPSACSHEKCVQF-UHFFFAOYSA-N 2 2 312.479 1.909 10 0 DDAELP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000094300933 193358783 /nfs/dbraw/zinc/35/87/83/193358783.db2.gz YKPSACSHEKCVQF-UHFFFAOYSA-N 2 2 312.479 1.909 10 0 DDAELP O=C(C[NH2+]C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070943750 248207003 /nfs/dbraw/zinc/20/70/03/248207003.db2.gz WXGWWAZKRQBXLD-UHFFFAOYSA-N 2 2 301.434 1.863 10 0 DDAELP Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cs1 ZINC000041011316 183156024 /nfs/dbraw/zinc/15/60/24/183156024.db2.gz RSNUTLTYOSPYFH-AWEZNQCLSA-N 2 2 308.451 1.284 10 0 DDAELP Cc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cs1 ZINC000041011316 183156025 /nfs/dbraw/zinc/15/60/25/183156025.db2.gz RSNUTLTYOSPYFH-AWEZNQCLSA-N 2 2 308.451 1.284 10 0 DDAELP COC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021752 183329571 /nfs/dbraw/zinc/32/95/71/183329571.db2.gz DEALXQZBTCLYLJ-STQMWFEESA-N 2 2 317.227 1.388 10 0 DDAELP COC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021752 183329572 /nfs/dbraw/zinc/32/95/72/183329572.db2.gz DEALXQZBTCLYLJ-STQMWFEESA-N 2 2 317.227 1.388 10 0 DDAELP COc1cccc(CN2CC[NH+](CCC[NH3+])CC2)c1OC(C)C ZINC000066143179 184393050 /nfs/dbraw/zinc/39/30/50/184393050.db2.gz FTJWVZWIGDOCEC-UHFFFAOYSA-N 2 2 321.465 1.949 10 0 DDAELP COc1cccc(C[NH+]2CCN(CCC[NH3+])CC2)c1OC(C)C ZINC000066143179 184393052 /nfs/dbraw/zinc/39/30/52/184393052.db2.gz FTJWVZWIGDOCEC-UHFFFAOYSA-N 2 2 321.465 1.949 10 0 DDAELP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)CCOC)C12CCOCC2 ZINC000186310551 407635911 /nfs/dbraw/zinc/63/59/11/407635911.db2.gz KMZAAZDKAMYMQA-GJZGRUSLSA-N 2 2 300.443 1.128 10 0 DDAELP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)CCOC)C12CCOCC2 ZINC000186310551 407635916 /nfs/dbraw/zinc/63/59/16/407635916.db2.gz KMZAAZDKAMYMQA-GJZGRUSLSA-N 2 2 300.443 1.128 10 0 DDAELP C[N@H+](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859070 407644160 /nfs/dbraw/zinc/64/41/60/407644160.db2.gz BYLIHXDPXGTPGZ-KURKYZTESA-N 3 2 309.498 1.998 10 0 DDAELP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859070 407644167 /nfs/dbraw/zinc/64/41/67/407644167.db2.gz BYLIHXDPXGTPGZ-KURKYZTESA-N 3 2 309.498 1.998 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000171614712 407720457 /nfs/dbraw/zinc/72/04/57/407720457.db2.gz FZTFFVPIXAMFIR-LBPRGKRZSA-N 2 2 307.398 1.058 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000171614712 407720459 /nfs/dbraw/zinc/72/04/59/407720459.db2.gz FZTFFVPIXAMFIR-LBPRGKRZSA-N 2 2 307.398 1.058 10 0 DDAELP CC[C@H](C(=O)OC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631480 407727441 /nfs/dbraw/zinc/72/74/41/407727441.db2.gz SWIOCKMIWSFGDG-OAHLLOKOSA-N 2 2 308.426 1.231 10 0 DDAELP CC[C@H](C(=O)OC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171631480 407727445 /nfs/dbraw/zinc/72/74/45/407727445.db2.gz SWIOCKMIWSFGDG-OAHLLOKOSA-N 2 2 308.426 1.231 10 0 DDAELP C[C@@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC[NH2+]1 ZINC000262119383 407744800 /nfs/dbraw/zinc/74/48/00/407744800.db2.gz KNVPWINZOXDXMW-KRWDZBQOSA-N 2 2 302.422 1.258 10 0 DDAELP C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262304641 407791300 /nfs/dbraw/zinc/79/13/00/407791300.db2.gz CCLRFGTWPCGKBJ-HIFRSBDPSA-N 2 2 314.389 1.428 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262396846 407825366 /nfs/dbraw/zinc/82/53/66/407825366.db2.gz BZGFUKBVQHCCQG-MELADBBJSA-N 2 2 303.406 1.611 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262396846 407825369 /nfs/dbraw/zinc/82/53/69/407825369.db2.gz BZGFUKBVQHCCQG-MELADBBJSA-N 2 2 303.406 1.611 10 0 DDAELP C[N@H+](CC(=O)NCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262546757 407862078 /nfs/dbraw/zinc/86/20/78/407862078.db2.gz RVEQBRYLXSWVQU-HNNXBMFYSA-N 2 2 305.422 1.256 10 0 DDAELP C[N@@H+](CC(=O)NCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000262546757 407862081 /nfs/dbraw/zinc/86/20/81/407862081.db2.gz RVEQBRYLXSWVQU-HNNXBMFYSA-N 2 2 305.422 1.256 10 0 DDAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262900035 407964138 /nfs/dbraw/zinc/96/41/38/407964138.db2.gz DLXFOHCXSXQLCF-JHJVBQTASA-N 2 2 317.424 1.856 10 0 DDAELP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1C[C@H](C)O ZINC000245652437 408035108 /nfs/dbraw/zinc/03/51/08/408035108.db2.gz HWNDFSJTLNRTMO-GJZGRUSLSA-N 2 2 302.422 1.611 10 0 DDAELP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1C[C@H](C)O ZINC000245652437 408035113 /nfs/dbraw/zinc/03/51/13/408035113.db2.gz HWNDFSJTLNRTMO-GJZGRUSLSA-N 2 2 302.422 1.611 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000263216988 408060562 /nfs/dbraw/zinc/06/05/62/408060562.db2.gz LBAFDTCJXVTKSU-RDJZCZTQSA-N 2 2 301.365 1.558 10 0 DDAELP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000189856834 408123012 /nfs/dbraw/zinc/12/30/12/408123012.db2.gz CBRPZWBMOLJEDX-MRXNPFEDSA-N 2 2 300.406 1.772 10 0 DDAELP CCC[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000137288519 408149669 /nfs/dbraw/zinc/14/96/69/408149669.db2.gz FWYHSFIVIVYUMK-CQSZACIVSA-N 2 2 301.394 1.614 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccn3C)CC2)C1 ZINC000121070158 408152906 /nfs/dbraw/zinc/15/29/06/408152906.db2.gz ZAWKYZNFTQHAJH-GOSISDBHSA-N 2 2 320.481 1.252 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccn3C)CC2)C1 ZINC000121070158 408152909 /nfs/dbraw/zinc/15/29/09/408152909.db2.gz ZAWKYZNFTQHAJH-GOSISDBHSA-N 2 2 320.481 1.252 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCn1cc[nH+]c1 ZINC000175584000 408166267 /nfs/dbraw/zinc/16/62/67/408166267.db2.gz WFEVCLNSJADEMJ-AWEZNQCLSA-N 2 2 302.382 1.262 10 0 DDAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000155847670 408217504 /nfs/dbraw/zinc/21/75/04/408217504.db2.gz SPOQYHXLWRBUGB-JKSUJKDBSA-N 2 2 312.417 1.865 10 0 DDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCOCC1 ZINC000171138926 162206225 /nfs/dbraw/zinc/20/62/25/162206225.db2.gz GEJOHFLJRNEBCU-AWEZNQCLSA-N 2 2 318.421 1.111 10 0 DDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC1CCOCC1 ZINC000171138926 162206227 /nfs/dbraw/zinc/20/62/27/162206227.db2.gz GEJOHFLJRNEBCU-AWEZNQCLSA-N 2 2 318.421 1.111 10 0 DDAELP Cc1ncc(C[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000192734584 408637615 /nfs/dbraw/zinc/63/76/15/408637615.db2.gz UVOMPXSQUAGYOJ-AWEZNQCLSA-N 2 2 324.494 1.290 10 0 DDAELP Cc1ncc(C[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000192734584 408637623 /nfs/dbraw/zinc/63/76/23/408637623.db2.gz UVOMPXSQUAGYOJ-AWEZNQCLSA-N 2 2 324.494 1.290 10 0 DDAELP Cc1cc[nH+]c(NCCCN2CC[NH2+]CC2)c1Br ZINC000235932166 163354848 /nfs/dbraw/zinc/35/48/48/163354848.db2.gz HMBMTIBGRFFYLF-UHFFFAOYSA-N 2 2 313.243 1.860 10 0 DDAELP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000583618162 422205405 /nfs/dbraw/zinc/20/54/05/422205405.db2.gz IZCQRGYLZIHSCG-WBMJQRKESA-N 2 2 314.389 1.174 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662743682 424753638 /nfs/dbraw/zinc/75/36/38/424753638.db2.gz KVUNZTXJNIUHRU-SJORKVTESA-N 2 2 318.465 1.046 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662743682 424753640 /nfs/dbraw/zinc/75/36/40/424753640.db2.gz KVUNZTXJNIUHRU-SJORKVTESA-N 2 2 318.465 1.046 10 0 DDAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000341622287 271143232 /nfs/dbraw/zinc/14/32/32/271143232.db2.gz UYXZIFXWRWSPJL-HZSPNIEDSA-N 2 2 305.426 1.781 10 0 DDAELP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000341622290 271143950 /nfs/dbraw/zinc/14/39/50/271143950.db2.gz UYXZIFXWRWSPJL-MGPQQGTHSA-N 2 2 305.426 1.781 10 0 DDAELP [NH3+][C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCOCC1 ZINC000262037695 698451548 /nfs/dbraw/zinc/45/15/48/698451548.db2.gz PVUACMFTQQOMSU-HNNXBMFYSA-N 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CC(C)OC[C@@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903287 407357657 /nfs/dbraw/zinc/35/76/57/407357657.db2.gz UHWMVYGYFYUHSA-KRWDZBQOSA-N 2 2 324.469 1.065 10 0 DDAELP CC(C)OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903287 407357658 /nfs/dbraw/zinc/35/76/58/407357658.db2.gz UHWMVYGYFYUHSA-KRWDZBQOSA-N 2 2 324.469 1.065 10 0 DDAELP CCn1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000112098958 407421510 /nfs/dbraw/zinc/42/15/10/407421510.db2.gz UGUUQANAVFFJND-AWEZNQCLSA-N 2 2 315.425 1.493 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778093 407613576 /nfs/dbraw/zinc/61/35/76/407613576.db2.gz FGVRJVQZZSEDTJ-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778093 407613583 /nfs/dbraw/zinc/61/35/83/407613583.db2.gz FGVRJVQZZSEDTJ-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778093 407613589 /nfs/dbraw/zinc/61/35/89/407613589.db2.gz FGVRJVQZZSEDTJ-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778093 407613593 /nfs/dbraw/zinc/61/35/93/407613593.db2.gz FGVRJVQZZSEDTJ-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP COC(=O)COc1c(C)cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000262023768 407714131 /nfs/dbraw/zinc/71/41/31/407714131.db2.gz NKSAPXACXXJDSN-DZGCQCFKSA-N 2 2 306.406 1.634 10 0 DDAELP COC(=O)COc1c(C)cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000262023768 407714136 /nfs/dbraw/zinc/71/41/36/407714136.db2.gz NKSAPXACXXJDSN-DZGCQCFKSA-N 2 2 306.406 1.634 10 0 DDAELP CN(Cc1ccccc1F)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262557341 407865231 /nfs/dbraw/zinc/86/52/31/407865231.db2.gz ULEHRDQEGLCLHY-HNNXBMFYSA-N 2 2 307.413 1.858 10 0 DDAELP CN(Cc1ccccc1F)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262557341 407865235 /nfs/dbraw/zinc/86/52/35/407865235.db2.gz ULEHRDQEGLCLHY-HNNXBMFYSA-N 2 2 307.413 1.858 10 0 DDAELP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1C[C@H](C)O ZINC000245652439 408035637 /nfs/dbraw/zinc/03/56/37/408035637.db2.gz HWNDFSJTLNRTMO-LSDHHAIUSA-N 2 2 302.422 1.611 10 0 DDAELP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1C[C@H](C)O ZINC000245652439 408035646 /nfs/dbraw/zinc/03/56/46/408035646.db2.gz HWNDFSJTLNRTMO-LSDHHAIUSA-N 2 2 302.422 1.611 10 0 DDAELP Cc1cc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc[nH+]1 ZINC000119343083 408047033 /nfs/dbraw/zinc/04/70/33/408047033.db2.gz NQSXOYOIGZLPAS-SWLSCSKDSA-N 2 2 304.394 1.574 10 0 DDAELP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000263319083 408105435 /nfs/dbraw/zinc/10/54/35/408105435.db2.gz ZXKSVZCMYOVZSV-NWDGAFQWSA-N 2 2 316.348 1.357 10 0 DDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000158661150 408352817 /nfs/dbraw/zinc/35/28/17/408352817.db2.gz CCXZRAUGTGHUNB-HOCLYGCPSA-N 2 2 318.421 1.729 10 0 DDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000158661150 408352822 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CN1C[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000658244457 424619433 /nfs/dbraw/zinc/61/94/33/424619433.db2.gz LAAXBAPNTKCTOO-SJORKVTESA-N 2 2 301.434 1.719 10 0 DDAELP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000262007112 304850102 /nfs/dbraw/zinc/85/01/02/304850102.db2.gz VFHQRIDOPCCRRX-GVDBMIGSSA-N 3 2 318.465 1.509 10 0 DDAELP Cc1nn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000183369085 697487742 /nfs/dbraw/zinc/48/77/42/697487742.db2.gz ARQQLRFPTBUBJT-CYBMUJFWSA-N 2 2 304.354 1.727 10 0 DDAELP Cc1nn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000183369085 697487744 /nfs/dbraw/zinc/48/77/44/697487744.db2.gz ARQQLRFPTBUBJT-CYBMUJFWSA-N 2 2 304.354 1.727 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000309930788 698668788 /nfs/dbraw/zinc/66/87/88/698668788.db2.gz YZZFVXXJCRDPCO-QXAKKESOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000309930788 698668792 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1.750 10 0 DDAELP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648478 282096190 /nfs/dbraw/zinc/09/61/90/282096190.db2.gz JTJXFVRYONHKAA-RDJZCZTQSA-N 2 2 318.465 1.750 10 0 DDAELP O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000088056832 185238278 /nfs/dbraw/zinc/23/82/78/185238278.db2.gz RMOBVMSAMIQCDU-HNNXBMFYSA-N 2 2 309.435 1.781 10 0 DDAELP C[N@H+](CCO)C1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301983183 529920422 /nfs/dbraw/zinc/92/04/22/529920422.db2.gz ASBHAAVFAMNLHN-UHFFFAOYSA-N 2 2 301.394 1.105 10 0 DDAELP C[N@@H+](CCO)C1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301983183 529920423 /nfs/dbraw/zinc/92/04/23/529920423.db2.gz ASBHAAVFAMNLHN-UHFFFAOYSA-N 2 2 301.394 1.105 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853956 539509628 /nfs/dbraw/zinc/50/96/28/539509628.db2.gz YHSGDJYWQRGDIB-UHOSZYNNSA-N 2 2 317.477 1.817 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853956 539509633 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CN(CCCn1cc[nH+]c1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000154927829 197005621 /nfs/dbraw/zinc/00/56/21/197005621.db2.gz VLOMNNUCVQTKOQ-QGZVFWFLSA-N 2 2 314.433 1.905 10 0 DDAELP c1cc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)cs1 ZINC000253595713 257105321 /nfs/dbraw/zinc/10/53/21/257105321.db2.gz HTLNRBVEWGYVII-ZACQAIPSSA-N 2 2 322.474 1.917 10 0 DDAELP c1cc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)cs1 ZINC000253595713 257105323 /nfs/dbraw/zinc/10/53/23/257105323.db2.gz HTLNRBVEWGYVII-ZACQAIPSSA-N 2 2 322.474 1.917 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)[nH+]1 ZINC000103142175 407332710 /nfs/dbraw/zinc/33/27/10/407332710.db2.gz NQKOYNLBDKFJIK-CQSZACIVSA-N 2 2 311.451 1.559 10 0 DDAELP [NH3+]C1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000261869705 407651107 /nfs/dbraw/zinc/65/11/07/407651107.db2.gz NYYFKNSHXFMTEA-UHFFFAOYSA-N 2 2 318.352 1.136 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134584 407748092 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DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cncs2)nc[nH+]1 ZINC000136071918 408074118 /nfs/dbraw/zinc/07/41/18/408074118.db2.gz AFQVFCABCAMGQO-LLVKDONJSA-N 2 2 304.423 1.733 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000246441311 408255006 /nfs/dbraw/zinc/25/50/06/408255006.db2.gz ONIXSRLPSFWEIY-SOUVJXGZSA-N 3 2 318.469 1.559 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000246441311 408255010 /nfs/dbraw/zinc/25/50/10/408255010.db2.gz ONIXSRLPSFWEIY-SOUVJXGZSA-N 3 2 318.469 1.559 10 0 DDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000247356476 408455957 /nfs/dbraw/zinc/45/59/57/408455957.db2.gz OGYCGBJHYFTLBN-LSDHHAIUSA-N 2 2 319.453 1.912 10 0 DDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000247356476 408455963 /nfs/dbraw/zinc/45/59/63/408455963.db2.gz OGYCGBJHYFTLBN-LSDHHAIUSA-N 2 2 319.453 1.912 10 0 DDAELP Cc1nc(N2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)cc[nH+]1 ZINC000183791584 408489339 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CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2Br)C1 ZINC000158935384 539217789 /nfs/dbraw/zinc/21/77/89/539217789.db2.gz UEHVOVSMVIHHKG-JTQLQIEISA-N 2 2 300.200 1.977 10 0 DDAELP [NH3+][C@@H]1CC[C@H]2CN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@H]12 ZINC000261798547 283601996 /nfs/dbraw/zinc/60/19/96/283601996.db2.gz ZTGCIXZTVDJGOO-VBNZEHGJSA-N 2 2 320.400 1.989 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195259486 201367991 /nfs/dbraw/zinc/36/79/91/201367991.db2.gz WMIBVQMWHRHYEL-CYBMUJFWSA-N 2 2 322.478 1.484 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195259486 201367992 /nfs/dbraw/zinc/36/79/92/201367992.db2.gz WMIBVQMWHRHYEL-CYBMUJFWSA-N 2 2 322.478 1.484 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000195259486 201367995 /nfs/dbraw/zinc/36/79/95/201367995.db2.gz WMIBVQMWHRHYEL-CYBMUJFWSA-N 2 2 322.478 1.484 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000195259486 201367998 /nfs/dbraw/zinc/36/79/98/201367998.db2.gz WMIBVQMWHRHYEL-CYBMUJFWSA-N 2 2 322.478 1.484 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195269359 201369043 /nfs/dbraw/zinc/36/90/43/201369043.db2.gz VWAHGOFKQBENNE-KBPBESRZSA-N 2 2 317.355 1.759 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195269359 201369047 /nfs/dbraw/zinc/36/90/47/201369047.db2.gz VWAHGOFKQBENNE-KBPBESRZSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195269359 201369049 /nfs/dbraw/zinc/36/90/49/201369049.db2.gz VWAHGOFKQBENNE-KBPBESRZSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195269359 201369053 /nfs/dbraw/zinc/36/90/53/201369053.db2.gz VWAHGOFKQBENNE-KBPBESRZSA-N 2 2 317.355 1.759 10 0 DDAELP C[C@H](C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000093696728 193291834 /nfs/dbraw/zinc/29/18/34/193291834.db2.gz HCDZNQBBBLVVKF-CABCVRRESA-N 2 2 317.499 1.122 10 0 DDAELP Cc1ccc(Oc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756978 183129940 /nfs/dbraw/zinc/12/99/40/183129940.db2.gz CMXSTCQGKXRZIB-UHFFFAOYSA-N 2 2 314.393 1.734 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981508 183391206 /nfs/dbraw/zinc/39/12/06/183391206.db2.gz VBPGECNEORMBLF-SOUVJXGZSA-N 2 2 300.443 1.617 10 0 DDAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981508 183391209 /nfs/dbraw/zinc/39/12/09/183391209.db2.gz VBPGECNEORMBLF-SOUVJXGZSA-N 2 2 300.443 1.617 10 0 DDAELP CO[C@H]1C[C@@H](CN(C)c2cc(NCC3CC3)[nH+]cn2)[N@H+](C)C1 ZINC000284652694 218116713 /nfs/dbraw/zinc/11/67/13/218116713.db2.gz WXIFBFKQFJRHBH-KBPBESRZSA-N 2 2 305.426 1.454 10 0 DDAELP CO[C@H]1C[C@@H](CN(C)c2cc(NCC3CC3)[nH+]cn2)[N@@H+](C)C1 ZINC000284652694 218116716 /nfs/dbraw/zinc/11/67/16/218116716.db2.gz WXIFBFKQFJRHBH-KBPBESRZSA-N 2 2 305.426 1.454 10 0 DDAELP CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061539214 184173180 /nfs/dbraw/zinc/17/31/80/184173180.db2.gz GOGSLBJQOXNHTE-SNVBAGLBSA-N 2 2 307.789 1.607 10 0 DDAELP CC[N@H+]1CCC[C@@H](Nc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061539214 184173181 /nfs/dbraw/zinc/17/31/81/184173181.db2.gz GOGSLBJQOXNHTE-SNVBAGLBSA-N 2 2 307.789 1.607 10 0 DDAELP C[NH+](C)[C@@H]1COC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000248051422 257109033 /nfs/dbraw/zinc/10/90/33/257109033.db2.gz XLSTXYOGQDXJQS-RBSFLKMASA-N 2 2 304.390 1.424 10 0 DDAELP C[NH+](C)[C@@H]1COC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000248051422 257109035 /nfs/dbraw/zinc/10/90/35/257109035.db2.gz XLSTXYOGQDXJQS-RBSFLKMASA-N 2 2 304.390 1.424 10 0 DDAELP Fc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000503716992 257210105 /nfs/dbraw/zinc/21/01/05/257210105.db2.gz KRBZUNYZKHVZOA-WMZOPIPTSA-N 2 2 320.408 1.606 10 0 DDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC1CCC1 ZINC000108858379 407391839 /nfs/dbraw/zinc/39/18/39/407391839.db2.gz IEMQTXBOYIDCQL-OAHLLOKOSA-N 2 2 302.422 1.732 10 0 DDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCC1CCC1 ZINC000108858379 407391841 /nfs/dbraw/zinc/39/18/41/407391841.db2.gz IEMQTXBOYIDCQL-OAHLLOKOSA-N 2 2 302.422 1.732 10 0 DDAELP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171638326 407730690 /nfs/dbraw/zinc/73/06/90/407730690.db2.gz ROYVXIVSMORBNO-CABCVRRESA-N 2 2 301.394 1.073 10 0 DDAELP O[C@H](Cn1cccn1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171638326 407730698 /nfs/dbraw/zinc/73/06/98/407730698.db2.gz ROYVXIVSMORBNO-CABCVRRESA-N 2 2 301.394 1.073 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747695 /nfs/dbraw/zinc/74/76/95/407747695.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747700 /nfs/dbraw/zinc/74/77/00/407747700.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747704 /nfs/dbraw/zinc/74/77/04/407747704.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 3 2 302.466 1.835 10 0 DDAELP COc1cccc(C2CC[NH+](Cc3noc(C[NH3+])n3)CC2)c1 ZINC000262259605 407778185 /nfs/dbraw/zinc/77/81/85/407778185.db2.gz QZEDRNNRUYNULD-UHFFFAOYSA-N 2 2 302.378 1.917 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126800 408033286 /nfs/dbraw/zinc/03/32/86/408033286.db2.gz BJDRZEURLFVOEM-SPUZQDLCSA-N 3 2 303.450 1.209 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126800 408033292 /nfs/dbraw/zinc/03/32/92/408033292.db2.gz BJDRZEURLFVOEM-SPUZQDLCSA-N 3 2 303.450 1.209 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000119521104 408085922 /nfs/dbraw/zinc/08/59/22/408085922.db2.gz LAGQZSMICTXRTP-INIZCTEOSA-N 2 2 311.470 1.288 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000119521104 408085926 /nfs/dbraw/zinc/08/59/26/408085926.db2.gz LAGQZSMICTXRTP-INIZCTEOSA-N 2 2 311.470 1.288 10 0 DDAELP CCCOc1c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cccc1OCC ZINC000263295406 408092416 /nfs/dbraw/zinc/09/24/16/408092416.db2.gz WEIGOVLXOASFNX-CABCVRRESA-N 2 2 308.422 1.544 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cncs3)CC2)C1 ZINC000121031672 408149038 /nfs/dbraw/zinc/14/90/38/408149038.db2.gz UVJZLVMMSQMXHJ-HNNXBMFYSA-N 2 2 324.494 1.370 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cncs3)CC2)C1 ZINC000121031672 408149042 /nfs/dbraw/zinc/14/90/42/408149042.db2.gz UVJZLVMMSQMXHJ-HNNXBMFYSA-N 2 2 324.494 1.370 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nc[nH+]1 ZINC000246441293 408256064 /nfs/dbraw/zinc/25/60/64/408256064.db2.gz ONIXSRLPSFWEIY-RBSFLKMASA-N 3 2 318.469 1.559 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nc[nH+]1 ZINC000246441293 408256069 /nfs/dbraw/zinc/25/60/69/408256069.db2.gz ONIXSRLPSFWEIY-RBSFLKMASA-N 3 2 318.469 1.559 10 0 DDAELP CC(C)N(C)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000190855688 408330980 /nfs/dbraw/zinc/33/09/80/408330980.db2.gz SNRVNHWPOOWVPY-KRWDZBQOSA-N 2 2 320.481 1.863 10 0 DDAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000178230623 408790581 /nfs/dbraw/zinc/79/05/81/408790581.db2.gz AOAPXJGRMGXKIF-AWEZNQCLSA-N 2 2 311.451 1.639 10 0 DDAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000178230623 408790584 /nfs/dbraw/zinc/79/05/84/408790584.db2.gz AOAPXJGRMGXKIF-AWEZNQCLSA-N 2 2 311.451 1.639 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000338212896 409805133 /nfs/dbraw/zinc/80/51/33/409805133.db2.gz COHRCQYKKYJHKU-KGLIPLIRSA-N 3 2 319.453 1.018 10 0 DDAELP C[C@H]1[C@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390723749 418755262 /nfs/dbraw/zinc/75/52/62/418755262.db2.gz PKZHSPYABZKKJY-DOTOQJQBSA-N 2 2 304.434 1.781 10 0 DDAELP C[C@H]1[C@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390723749 418755265 /nfs/dbraw/zinc/75/52/65/418755265.db2.gz PKZHSPYABZKKJY-DOTOQJQBSA-N 2 2 304.434 1.781 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000665283312 424774244 /nfs/dbraw/zinc/77/42/44/424774244.db2.gz LIYSHZLWTDOERS-ACBHZAAOSA-N 3 2 316.493 1.662 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000665283312 424774246 /nfs/dbraw/zinc/77/42/46/424774246.db2.gz LIYSHZLWTDOERS-ACBHZAAOSA-N 3 2 316.493 1.662 10 0 DDAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177593383 697413795 /nfs/dbraw/zinc/41/37/95/697413795.db2.gz KAAHNWBCRGJGNP-ARFHVFGLSA-N 2 2 319.453 1.930 10 0 DDAELP CC[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000087532922 185227609 /nfs/dbraw/zinc/22/76/09/185227609.db2.gz RZYYDTAPTPXVKU-QWHCGFSZSA-N 2 2 311.451 1.223 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000180567515 199177120 /nfs/dbraw/zinc/17/71/20/199177120.db2.gz NPNIDGLKLFLUGO-OCCSQVGLSA-N 2 2 315.425 1.571 10 0 DDAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000237892531 202381922 /nfs/dbraw/zinc/38/19/22/202381922.db2.gz BEFTVXANLSGLEI-JKSUJKDBSA-N 2 2 302.422 1.243 10 0 DDAELP COC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279671 201372689 /nfs/dbraw/zinc/37/26/89/201372689.db2.gz IVVQXHZTGBTOKX-MRXNPFEDSA-N 2 2 305.422 1.789 10 0 DDAELP COC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279671 201372693 /nfs/dbraw/zinc/37/26/93/201372693.db2.gz IVVQXHZTGBTOKX-MRXNPFEDSA-N 2 2 305.422 1.789 10 0 DDAELP COC(=O)CCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279671 201372698 /nfs/dbraw/zinc/37/26/98/201372698.db2.gz IVVQXHZTGBTOKX-MRXNPFEDSA-N 2 2 305.422 1.789 10 0 DDAELP COC(=O)CCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279671 201372701 /nfs/dbraw/zinc/37/27/01/201372701.db2.gz IVVQXHZTGBTOKX-MRXNPFEDSA-N 2 2 305.422 1.789 10 0 DDAELP CC[NH2+][C@@H](Cc1c(Br)c(CC)nn1C)C[NH+](C)C ZINC000091719758 193096832 /nfs/dbraw/zinc/09/68/32/193096832.db2.gz CSJBDIPEEDACAN-JTQLQIEISA-N 2 2 317.275 1.827 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093925694 193328490 /nfs/dbraw/zinc/32/84/90/193328490.db2.gz VMZWNRFLOXSCQI-RISCZKNCSA-N 2 2 314.861 1.615 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093925694 193328492 /nfs/dbraw/zinc/32/84/92/193328492.db2.gz VMZWNRFLOXSCQI-RISCZKNCSA-N 2 2 314.861 1.615 10 0 DDAELP [NH3+]Cc1nc([C@H]2C[NH+]3CCN2CC3)sc1-c1ccccc1 ZINC000094511379 193376074 /nfs/dbraw/zinc/37/60/74/193376074.db2.gz IBXMKUWMIGBARD-CQSZACIVSA-N 2 2 300.431 1.941 10 0 DDAELP O=C1C(C[NH2+]CCCn2cc[nH+]c2)=CC2=CC=C[C@H]3CCN1[C@H]23 ZINC000039287532 183016424 /nfs/dbraw/zinc/01/64/24/183016424.db2.gz JLBPPPPDSRKOMD-YOEHRIQHSA-N 2 2 310.401 1.516 10 0 DDAELP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H](C[NH3+])C1 ZINC000333650155 249056092 /nfs/dbraw/zinc/05/60/92/249056092.db2.gz VQQACBKZTLZOMY-HZSPNIEDSA-N 2 2 305.426 1.529 10 0 DDAELP CN(C)C(=O)Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750296 183128878 /nfs/dbraw/zinc/12/88/78/183128878.db2.gz SCTYRPLWPMNKRL-VGPLMAKISA-N 2 2 308.451 1.228 10 0 DDAELP CN(C)C(=O)Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750296 183128882 /nfs/dbraw/zinc/12/88/82/183128882.db2.gz SCTYRPLWPMNKRL-VGPLMAKISA-N 2 2 308.451 1.228 10 0 DDAELP CCC[NH2+][C@](C)(CN(CCC)CC[NH+](C)C)C(=O)OCC ZINC000041674792 183215358 /nfs/dbraw/zinc/21/53/58/183215358.db2.gz AQUFUJWAAWIKJW-MRXNPFEDSA-N 2 2 301.475 1.581 10 0 DDAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000042308902 183253693 /nfs/dbraw/zinc/25/36/93/183253693.db2.gz BVWYOTQPGQZYOP-PEUVFPKISA-N 2 2 300.468 1.272 10 0 DDAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000042308902 183253695 /nfs/dbraw/zinc/25/36/95/183253695.db2.gz BVWYOTQPGQZYOP-PEUVFPKISA-N 2 2 300.468 1.272 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981493 183391594 /nfs/dbraw/zinc/39/15/94/183391594.db2.gz VBPGECNEORMBLF-ZNMIVQPWSA-N 2 2 300.443 1.617 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981493 183391595 /nfs/dbraw/zinc/39/15/95/183391595.db2.gz VBPGECNEORMBLF-ZNMIVQPWSA-N 2 2 300.443 1.617 10 0 DDAELP C[NH+](C)CCCCCCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105194335 194083828 /nfs/dbraw/zinc/08/38/28/194083828.db2.gz WHJCXFNWNGYCDJ-HNNXBMFYSA-N 2 2 314.474 1.128 10 0 DDAELP C[NH+](C)CCCCCCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105194335 194083831 /nfs/dbraw/zinc/08/38/31/194083831.db2.gz WHJCXFNWNGYCDJ-HNNXBMFYSA-N 2 2 314.474 1.128 10 0 DDAELP CCOC(=O)[C@@](C)(CCN(C)CCC[NH+](C)C)[NH2+]C(C)C ZINC000111145994 194395744 /nfs/dbraw/zinc/39/57/44/194395744.db2.gz WMWIMDDWLJWGLS-MRXNPFEDSA-N 2 2 301.475 1.580 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)CCCOC)OCCO2 ZINC000062031289 184202128 /nfs/dbraw/zinc/20/21/28/184202128.db2.gz KCCBIYWNOWMRQI-GJZGRUSLSA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)CCCOC)OCCO2 ZINC000062031289 184202130 /nfs/dbraw/zinc/20/21/30/184202130.db2.gz KCCBIYWNOWMRQI-GJZGRUSLSA-N 2 2 300.443 1.619 10 0 DDAELP C[NH+](C)C[C@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000043311581 407017765 /nfs/dbraw/zinc/01/77/65/407017765.db2.gz SSICIOUTHUTGAA-HNNXBMFYSA-N 2 2 301.394 1.485 10 0 DDAELP [NH3+]C[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261722980 407591783 /nfs/dbraw/zinc/59/17/83/407591783.db2.gz LZUGUJICQDGPFT-CYBMUJFWSA-N 2 2 308.389 1.991 10 0 DDAELP C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000171286379 407648223 /nfs/dbraw/zinc/64/82/23/407648223.db2.gz HYYLJYOAQSLRDT-QGZVFWFLSA-N 2 2 317.433 1.343 10 0 DDAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]([NH3+])COC ZINC000262328196 407800139 /nfs/dbraw/zinc/80/01/39/407800139.db2.gz RIJYEFMKFAKJBG-HNNXBMFYSA-N 2 2 320.437 1.120 10 0 DDAELP CCOCC[N@@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1C ZINC000180086631 407853257 /nfs/dbraw/zinc/85/32/57/407853257.db2.gz IWAVQOCJXDSABV-HNNXBMFYSA-N 2 2 302.422 1.877 10 0 DDAELP CCOCC[N@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@@H]1C ZINC000180086631 407853264 /nfs/dbraw/zinc/85/32/64/407853264.db2.gz IWAVQOCJXDSABV-HNNXBMFYSA-N 2 2 302.422 1.877 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@H]12 ZINC000262540386 407862492 /nfs/dbraw/zinc/86/24/92/407862492.db2.gz QZBRCGCOEVNVQY-KGYLQXTDSA-N 2 2 303.362 1.023 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@H]12 ZINC000262540386 407862498 /nfs/dbraw/zinc/86/24/98/407862498.db2.gz QZBRCGCOEVNVQY-KGYLQXTDSA-N 2 2 303.362 1.023 10 0 DDAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262731452 407908635 /nfs/dbraw/zinc/90/86/35/407908635.db2.gz BQXJKUAZLSMIPL-CQSZACIVSA-N 2 2 315.408 1.754 10 0 DDAELP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000188612660 407960990 /nfs/dbraw/zinc/96/09/90/407960990.db2.gz BCMUYPHZAYGBDW-HNNXBMFYSA-N 2 2 314.474 1.080 10 0 DDAELP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262964295 407986650 /nfs/dbraw/zinc/98/66/50/407986650.db2.gz LAJYZMLODOGDAE-CQSZACIVSA-N 2 2 324.375 1.159 10 0 DDAELP CC(C)Cn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182752583 408238601 /nfs/dbraw/zinc/23/86/01/408238601.db2.gz JULLJDYFRIJZEA-HNNXBMFYSA-N 2 2 323.485 1.459 10 0 DDAELP CC(C)Cn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000182752583 408238603 /nfs/dbraw/zinc/23/86/03/408238603.db2.gz JULLJDYFRIJZEA-HNNXBMFYSA-N 2 2 323.485 1.459 10 0 DDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000151338989 408296891 /nfs/dbraw/zinc/29/68/91/408296891.db2.gz ALWZXDQJYBFFLJ-DZGCQCFKSA-N 2 2 306.406 1.913 10 0 DDAELP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000172755918 162300266 /nfs/dbraw/zinc/30/02/66/162300266.db2.gz JOHQLTBAKVXWRJ-KRWDZBQOSA-N 2 2 317.433 1.295 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000262114690 163770040 /nfs/dbraw/zinc/77/00/40/163770040.db2.gz LBLKMBJUNAIJKU-JOYOIKCWSA-N 2 2 319.630 1.772 10 0 DDAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195318398 222197593 /nfs/dbraw/zinc/19/75/93/222197593.db2.gz DGDCLGFLVFCPGK-CQSZACIVSA-N 2 2 312.417 1.905 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662743681 424753223 /nfs/dbraw/zinc/75/32/23/424753223.db2.gz KVUNZTXJNIUHRU-IRXDYDNUSA-N 2 2 318.465 1.046 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662743681 424753225 /nfs/dbraw/zinc/75/32/25/424753225.db2.gz KVUNZTXJNIUHRU-IRXDYDNUSA-N 2 2 318.465 1.046 10 0 DDAELP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000262710250 276279428 /nfs/dbraw/zinc/27/94/28/276279428.db2.gz PXOIEYMBJLWNKB-MLGOLLRUSA-N 2 2 320.441 1.121 10 0 DDAELP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000262710250 276279431 /nfs/dbraw/zinc/27/94/31/276279431.db2.gz PXOIEYMBJLWNKB-MLGOLLRUSA-N 2 2 320.441 1.121 10 0 DDAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171191601 697355387 /nfs/dbraw/zinc/35/53/87/697355387.db2.gz FGCMQSVVHOMAOA-INIZCTEOSA-N 2 2 313.405 1.766 10 0 DDAELP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000171191601 697355395 /nfs/dbraw/zinc/35/53/95/697355395.db2.gz FGCMQSVVHOMAOA-INIZCTEOSA-N 2 2 313.405 1.766 10 0 DDAELP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)co1 ZINC000095507701 185375484 /nfs/dbraw/zinc/37/54/84/185375484.db2.gz OXFUTJBNHQVVKC-GFCCVEGCSA-N 2 2 303.366 1.044 10 0 DDAELP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)co1 ZINC000095507701 185375485 /nfs/dbraw/zinc/37/54/85/185375485.db2.gz OXFUTJBNHQVVKC-GFCCVEGCSA-N 2 2 303.366 1.044 10 0 DDAELP O=C([C@H]1CCC[N@H+]1Cc1cc(Cl)ccn1)N1CC[NH2+]CC1 ZINC000092417121 185317060 /nfs/dbraw/zinc/31/70/60/185317060.db2.gz SHVXVJCMKHFRKH-CQSZACIVSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@H]1CCC[N@@H+]1Cc1cc(Cl)ccn1)N1CC[NH2+]CC1 ZINC000092417121 185317061 /nfs/dbraw/zinc/31/70/61/185317061.db2.gz SHVXVJCMKHFRKH-CQSZACIVSA-N 2 2 308.813 1.131 10 0 DDAELP Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000070431212 190890701 /nfs/dbraw/zinc/89/07/01/190890701.db2.gz APDVBXSBBGWARC-UHFFFAOYSA-N 2 2 308.407 1.008 10 0 DDAELP CN(C)c1nc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)ns1 ZINC000328635523 354555410 /nfs/dbraw/zinc/55/54/10/354555410.db2.gz NJMIBSYTQTULJO-NSHDSACASA-N 2 2 306.439 1.495 10 0 DDAELP CN(C)c1nc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)ns1 ZINC000328635523 354555412 /nfs/dbraw/zinc/55/54/12/354555412.db2.gz NJMIBSYTQTULJO-NSHDSACASA-N 2 2 306.439 1.495 10 0 DDAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000384577468 354629955 /nfs/dbraw/zinc/62/99/55/354629955.db2.gz MXLCZOBEIVMFIL-CQSZACIVSA-N 2 2 313.239 1.995 10 0 DDAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000384577468 354629957 /nfs/dbraw/zinc/62/99/57/354629957.db2.gz MXLCZOBEIVMFIL-CQSZACIVSA-N 2 2 313.239 1.995 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CCCOC)nc[nH+]1 ZINC000180573435 199177527 /nfs/dbraw/zinc/17/75/27/199177527.db2.gz KPOCRJHHPGJVTA-UONOGXRCSA-N 2 2 307.442 1.892 10 0 DDAELP CCn1nc(C)c(Br)c1C[C@@H](C[NH+](C)C)[NH2+]C ZINC000091719658 193096868 /nfs/dbraw/zinc/09/68/68/193096868.db2.gz LMQCEELGFUSPMV-JTQLQIEISA-N 2 2 303.248 1.666 10 0 DDAELP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262574494 203334209 /nfs/dbraw/zinc/33/42/09/203334209.db2.gz ZQWJKJCXZYHUPK-RISCZKNCSA-N 2 2 300.362 1.492 10 0 DDAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@H]1C[N@H+](C)CCN1C ZINC000093894538 193325525 /nfs/dbraw/zinc/32/55/25/193325525.db2.gz JKJIRLKZYONJQV-HUUCEWRRSA-N 2 2 311.857 1.725 10 0 DDAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@H]1C[N@@H+](C)CCN1C ZINC000093894538 193325526 /nfs/dbraw/zinc/32/55/26/193325526.db2.gz JKJIRLKZYONJQV-HUUCEWRRSA-N 2 2 311.857 1.725 10 0 DDAELP CCC[NH2+][C@@H]1[C@@H](C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316701 193359681 /nfs/dbraw/zinc/35/96/81/193359681.db2.gz XXGFVTCESOYYNE-RBSFLKMASA-N 2 2 316.511 1.910 10 0 DDAELP CCC[NH2+][C@@H]1[C@@H](C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)CCC1(C)C ZINC000094316701 193359683 /nfs/dbraw/zinc/35/96/83/193359683.db2.gz XXGFVTCESOYYNE-RBSFLKMASA-N 2 2 316.511 1.910 10 0 DDAELP C[NH+](C)CC[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132038 184272733 /nfs/dbraw/zinc/27/27/33/184272733.db2.gz SVXYEFHGQKOMNS-UHFFFAOYSA-N 2 2 302.465 1.333 10 0 DDAELP C[C@@H]1C[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000045617546 407046578 /nfs/dbraw/zinc/04/65/78/407046578.db2.gz BOFKZTMSKKUBGD-INMHGKMJSA-N 2 2 319.449 1.515 10 0 DDAELP CCc1cc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000125924660 407400790 /nfs/dbraw/zinc/40/07/90/407400790.db2.gz WNUVWVGJQMEMFY-ZDUSSCGKSA-N 2 2 312.417 1.793 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000262321663 407798279 /nfs/dbraw/zinc/79/82/79/407798279.db2.gz FGJJYIKZDXFWFV-CYBMUJFWSA-N 2 2 309.435 1.148 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000117425162 407833931 /nfs/dbraw/zinc/83/39/31/407833931.db2.gz ZTTKHTZUZSEDLS-FPCVCCKLSA-N 2 2 311.470 1.427 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000117425162 407833938 /nfs/dbraw/zinc/83/39/38/407833938.db2.gz ZTTKHTZUZSEDLS-FPCVCCKLSA-N 2 2 311.470 1.427 10 0 DDAELP COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154542194 408047536 /nfs/dbraw/zinc/04/75/36/408047536.db2.gz DEKHJQDSIXABSD-CVEARBPZSA-N 2 2 314.389 1.965 10 0 DDAELP COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154542194 408047543 /nfs/dbraw/zinc/04/75/43/408047543.db2.gz DEKHJQDSIXABSD-CVEARBPZSA-N 2 2 314.389 1.965 10 0 DDAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262997426 407999407 /nfs/dbraw/zinc/99/94/07/407999407.db2.gz OJZAZQDVJZSIDL-AWEZNQCLSA-N 2 2 315.408 1.897 10 0 DDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2CC)[C@@H](C)C1 ZINC000189998030 408141849 /nfs/dbraw/zinc/14/18/49/408141849.db2.gz HEGARLXHEBYOQS-GOEBONIOSA-N 2 2 323.485 1.833 10 0 DDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2CC)[C@@H](C)C1 ZINC000189998030 408141855 /nfs/dbraw/zinc/14/18/55/408141855.db2.gz HEGARLXHEBYOQS-GOEBONIOSA-N 2 2 323.485 1.833 10 0 DDAELP CCOC(=O)[C@@H](CC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173683112 162358606 /nfs/dbraw/zinc/35/86/06/162358606.db2.gz MTHIQSAMXCHWPO-MRXNPFEDSA-N 2 2 322.453 1.621 10 0 DDAELP CCOC(=O)[C@@H](CC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173683112 162358609 /nfs/dbraw/zinc/35/86/09/162358609.db2.gz MTHIQSAMXCHWPO-MRXNPFEDSA-N 2 2 322.453 1.621 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000247477816 408479042 /nfs/dbraw/zinc/47/90/42/408479042.db2.gz SIXPZAPZCWHNDU-GJZGRUSLSA-N 2 2 317.437 1.762 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000247477816 408479045 /nfs/dbraw/zinc/47/90/45/408479045.db2.gz SIXPZAPZCWHNDU-GJZGRUSLSA-N 2 2 317.437 1.762 10 0 DDAELP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261885341 163721201 /nfs/dbraw/zinc/72/12/01/163721201.db2.gz AYENRDHZSADERS-MRXNPFEDSA-N 2 2 310.401 1.878 10 0 DDAELP Cc1[nH+]ccn1-c1cncc(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000301813117 410803957 /nfs/dbraw/zinc/80/39/57/410803957.db2.gz HRZZYZKQIJJABL-AWEZNQCLSA-N 2 2 314.393 1.246 10 0 DDAELP Cc1[nH+]ccn1-c1cncc(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000301813117 410803966 /nfs/dbraw/zinc/80/39/66/410803966.db2.gz HRZZYZKQIJJABL-AWEZNQCLSA-N 2 2 314.393 1.246 10 0 DDAELP COCC[NH+]1CCC(CNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302876693 410884984 /nfs/dbraw/zinc/88/49/84/410884984.db2.gz FSDJOMWWNWSRSI-UHFFFAOYSA-N 2 2 319.453 1.847 10 0 DDAELP COCC[NH+]1CCC(CNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302876693 410884988 /nfs/dbraw/zinc/88/49/88/410884988.db2.gz FSDJOMWWNWSRSI-UHFFFAOYSA-N 2 2 319.453 1.847 10 0 DDAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972434 288251360 /nfs/dbraw/zinc/25/13/60/288251360.db2.gz OEQWJNYNKMPGEK-MGPQQGTHSA-N 2 2 323.462 1.378 10 0 DDAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972434 288251362 /nfs/dbraw/zinc/25/13/62/288251362.db2.gz OEQWJNYNKMPGEK-MGPQQGTHSA-N 2 2 323.462 1.378 10 0 DDAELP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333029354 298314212 /nfs/dbraw/zinc/31/42/12/298314212.db2.gz MFECTGURGRMSDZ-ZFWWWQNUSA-N 2 2 303.410 1.294 10 0 DDAELP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333029354 298314216 /nfs/dbraw/zinc/31/42/16/298314216.db2.gz MFECTGURGRMSDZ-ZFWWWQNUSA-N 2 2 303.410 1.294 10 0 DDAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000390687427 307293838 /nfs/dbraw/zinc/29/38/38/307293838.db2.gz YVLQVNFRFUJWLP-SFHVURJKSA-N 3 2 303.450 1.619 10 0 DDAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000390687427 307293839 /nfs/dbraw/zinc/29/38/39/307293839.db2.gz YVLQVNFRFUJWLP-SFHVURJKSA-N 3 2 303.450 1.619 10 0 DDAELP CC(C)([NH3+])CC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000178888211 484110207 /nfs/dbraw/zinc/11/02/07/484110207.db2.gz BYIWRHHOYBDRBE-UHFFFAOYSA-N 2 2 321.469 1.410 10 0 DDAELP C[N@H+](CCO)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000302041507 529920298 /nfs/dbraw/zinc/92/02/98/529920298.db2.gz NTXFEQAQVXIPNS-UHFFFAOYSA-N 2 2 319.453 1.360 10 0 DDAELP C[N@@H+](CCO)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000302041507 529920300 /nfs/dbraw/zinc/92/03/00/529920300.db2.gz NTXFEQAQVXIPNS-UHFFFAOYSA-N 2 2 319.453 1.360 10 0 DDAELP C[N@H+](CCO)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000302041507 529920301 /nfs/dbraw/zinc/92/03/01/529920301.db2.gz NTXFEQAQVXIPNS-UHFFFAOYSA-N 2 2 319.453 1.360 10 0 DDAELP C[N@@H+](CCO)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000302041507 529920302 /nfs/dbraw/zinc/92/03/02/529920302.db2.gz NTXFEQAQVXIPNS-UHFFFAOYSA-N 2 2 319.453 1.360 10 0 DDAELP Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCN1C ZINC000328618006 354547528 /nfs/dbraw/zinc/54/75/28/354547528.db2.gz DGRCGYNRGRSKLJ-OAHLLOKOSA-N 2 2 324.388 1.197 10 0 DDAELP CCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236888113 202054625 /nfs/dbraw/zinc/05/46/25/202054625.db2.gz TXOCWKGWQSSRNY-YDHLFZDLSA-N 2 2 320.437 1.439 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cnccn2)nc[nH+]1 ZINC000180573811 199178187 /nfs/dbraw/zinc/17/81/87/199178187.db2.gz YTQJDBCGUXQTHK-OLZOCXBDSA-N 2 2 313.409 1.628 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2C[N@H+](C)CCO2)c1Cl ZINC000091717414 193097483 /nfs/dbraw/zinc/09/74/83/193097483.db2.gz ABLFVFWPBDAWAD-MFKMUULPSA-N 2 2 300.834 1.319 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2C[N@@H+](C)CCO2)c1Cl ZINC000091717414 193097485 /nfs/dbraw/zinc/09/74/85/193097485.db2.gz ABLFVFWPBDAWAD-MFKMUULPSA-N 2 2 300.834 1.319 10 0 DDAELP O=C([C@H]1CCC[N@H+]1Cc1cc(Cl)cs1)N1CC[NH2+]CC1 ZINC000093096132 193203512 /nfs/dbraw/zinc/20/35/12/193203512.db2.gz POORLWVNBBTMIR-CYBMUJFWSA-N 2 2 313.854 1.798 10 0 DDAELP O=C([C@H]1CCC[N@@H+]1Cc1cc(Cl)cs1)N1CC[NH2+]CC1 ZINC000093096132 193203513 /nfs/dbraw/zinc/20/35/13/193203513.db2.gz POORLWVNBBTMIR-CYBMUJFWSA-N 2 2 313.854 1.798 10 0 DDAELP Cc1nn(C)c(C[C@@H]([NH3+])[C@@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093926098 193328025 /nfs/dbraw/zinc/32/80/25/193328025.db2.gz RPTRSPWJQNSBAT-YPMHNXCESA-N 2 2 300.834 1.361 10 0 DDAELP Cc1nn(C)c(C[C@@H]([NH3+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093926098 193328027 /nfs/dbraw/zinc/32/80/27/193328027.db2.gz RPTRSPWJQNSBAT-YPMHNXCESA-N 2 2 300.834 1.361 10 0 DDAELP CCC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)CCS(C)(=O)=O ZINC000094300721 193358859 /nfs/dbraw/zinc/35/88/59/193358859.db2.gz VLZITAWXAMQXOS-UHFFFAOYSA-N 2 2 313.467 1.679 10 0 DDAELP [NH3+][C@H](Cc1cc(Br)cs1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508089 193375082 /nfs/dbraw/zinc/37/50/82/193375082.db2.gz VDSPKAORXNGHJS-VXGBXAGGSA-N 2 2 316.268 1.380 10 0 DDAELP [NH3+]CC[NH+]1CCC(NC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000110826806 194362407 /nfs/dbraw/zinc/36/24/07/194362407.db2.gz YYILUMIGZIISLG-UHFFFAOYSA-N 2 2 301.312 1.257 10 0 DDAELP COC(=O)[C@](C)(CCC[N@H+](C)CCC[NH+](C)C)[NH2+]C(C)C ZINC000111145368 194395281 /nfs/dbraw/zinc/39/52/81/194395281.db2.gz FZWUVWVOMASZDX-INIZCTEOSA-N 3 2 301.475 1.580 10 0 DDAELP COC(=O)[C@](C)(CCC[N@@H+](C)CCC[NH+](C)C)[NH2+]C(C)C ZINC000111145368 194395282 /nfs/dbraw/zinc/39/52/82/194395282.db2.gz FZWUVWVOMASZDX-INIZCTEOSA-N 3 2 301.475 1.580 10 0 DDAELP CC[NH2+][C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145537 194395413 /nfs/dbraw/zinc/39/54/13/194395413.db2.gz XPGVYWTXNDRCOR-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CC[NH2+][C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145537 194395416 /nfs/dbraw/zinc/39/54/16/194395416.db2.gz XPGVYWTXNDRCOR-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096401 184205767 /nfs/dbraw/zinc/20/57/67/184205767.db2.gz IWZORHFNPFTHBL-HUUCEWRRSA-N 2 2 317.499 1.122 10 0 DDAELP COCC[NH+]1CCC(C(=O)Nc2c[nH+]c3n2CCCC3)CC1 ZINC000067965421 407291638 /nfs/dbraw/zinc/29/16/38/407291638.db2.gz WDWREYQNKKVCCL-UHFFFAOYSA-N 2 2 306.410 1.516 10 0 DDAELP CCc1cc(N2CC[NH+]([C@H](C)C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000125924881 407400768 /nfs/dbraw/zinc/40/07/68/407400768.db2.gz WNUVWVGJQMEMFY-CYBMUJFWSA-N 2 2 312.417 1.793 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261616120 407554108 /nfs/dbraw/zinc/55/41/08/407554108.db2.gz FTLRDHDJHMTYMN-UBHSHLNASA-N 2 2 308.451 1.685 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261616120 407554111 /nfs/dbraw/zinc/55/41/11/407554111.db2.gz FTLRDHDJHMTYMN-UBHSHLNASA-N 2 2 308.451 1.685 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000178776601 407598674 /nfs/dbraw/zinc/59/86/74/407598674.db2.gz WJSVUNZZYVYPBT-HZPDHXFCSA-N 2 2 305.422 1.256 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000178776601 407598679 /nfs/dbraw/zinc/59/86/79/407598679.db2.gz WJSVUNZZYVYPBT-HZPDHXFCSA-N 2 2 305.422 1.256 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000263191637 408054040 /nfs/dbraw/zinc/05/40/40/408054040.db2.gz HZAJDVVXYMJJAC-LRDDRELGSA-N 2 2 309.841 1.610 10 0 DDAELP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000245465301 407991744 /nfs/dbraw/zinc/99/17/44/407991744.db2.gz INHROZLJQQOBFF-LSDHHAIUSA-N 2 2 302.422 1.825 10 0 DDAELP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000245465301 407991750 /nfs/dbraw/zinc/99/17/50/407991750.db2.gz INHROZLJQQOBFF-LSDHHAIUSA-N 2 2 302.422 1.825 10 0 DDAELP CCOCC[N@@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1C ZINC000245582461 408021552 /nfs/dbraw/zinc/02/15/52/408021552.db2.gz CYHLINUWABWNDW-CQSZACIVSA-N 2 2 319.453 1.846 10 0 DDAELP CCOCC[N@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1C ZINC000245582461 408021558 /nfs/dbraw/zinc/02/15/58/408021558.db2.gz CYHLINUWABWNDW-CQSZACIVSA-N 2 2 319.453 1.846 10 0 DDAELP COc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263267987 408081120 /nfs/dbraw/zinc/08/11/20/408081120.db2.gz RVQPMTBICRTESU-ZYHUDNBSSA-N 2 2 315.211 1.128 10 0 DDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2CC)[C@@H](C)C1 ZINC000189998046 408141494 /nfs/dbraw/zinc/14/14/94/408141494.db2.gz HEGARLXHEBYOQS-HOCLYGCPSA-N 2 2 323.485 1.833 10 0 DDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2CC)[C@@H](C)C1 ZINC000189998046 408141500 /nfs/dbraw/zinc/14/15/00/408141500.db2.gz HEGARLXHEBYOQS-HOCLYGCPSA-N 2 2 323.485 1.833 10 0 DDAELP C[N@H+](CCCn1cc[nH+]c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182754895 408239741 /nfs/dbraw/zinc/23/97/41/408239741.db2.gz VOXYWEVEIWSYOA-UHFFFAOYSA-N 3 2 316.453 1.566 10 0 DDAELP C[N@@H+](CCCn1cc[nH+]c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182754895 408239749 /nfs/dbraw/zinc/23/97/49/408239749.db2.gz VOXYWEVEIWSYOA-UHFFFAOYSA-N 3 2 316.453 1.566 10 0 DDAELP C[N@H+](CCCn1cc[nH+]c1)C1CCN(CCn2cccn2)CC1 ZINC000182754895 408239755 /nfs/dbraw/zinc/23/97/55/408239755.db2.gz VOXYWEVEIWSYOA-UHFFFAOYSA-N 2 2 316.453 1.566 10 0 DDAELP C[N@@H+](CCCn1cc[nH+]c1)C1CCN(CCn2cccn2)CC1 ZINC000182754895 408239762 /nfs/dbraw/zinc/23/97/62/408239762.db2.gz VOXYWEVEIWSYOA-UHFFFAOYSA-N 2 2 316.453 1.566 10 0 DDAELP C[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000246630167 408306800 /nfs/dbraw/zinc/30/68/00/408306800.db2.gz STLGPSFCXGADAH-KBPBESRZSA-N 2 2 311.451 1.496 10 0 DDAELP C[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000246630167 408306806 /nfs/dbraw/zinc/30/68/06/408306806.db2.gz STLGPSFCXGADAH-KBPBESRZSA-N 2 2 311.451 1.496 10 0 DDAELP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000170833855 162195115 /nfs/dbraw/zinc/19/51/15/162195115.db2.gz MQSDIGNPXCAXKA-HNNXBMFYSA-N 2 2 313.405 1.718 10 0 DDAELP Cc1ccc([C@@H](CNC(=O)C[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000176555704 408393834 /nfs/dbraw/zinc/39/38/34/408393834.db2.gz FXGZRAZQIQDSEF-CYBMUJFWSA-N 2 2 311.451 1.108 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccnn2C)nc[nH+]1 ZINC000177557760 408656688 /nfs/dbraw/zinc/65/66/88/408656688.db2.gz BICUVFXTPBTQMA-ZDUSSCGKSA-N 2 2 301.398 1.010 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000178314215 408804326 /nfs/dbraw/zinc/80/43/26/408804326.db2.gz KIDGCUHHLCZICS-ULQDDVLXSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000178314215 408804331 /nfs/dbraw/zinc/80/43/31/408804331.db2.gz KIDGCUHHLCZICS-ULQDDVLXSA-N 2 2 323.437 1.212 10 0 DDAELP CC(C)n1nnnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516042 163325888 /nfs/dbraw/zinc/32/58/88/163325888.db2.gz YQBHHCQLRMYWLU-ZDUSSCGKSA-N 2 2 301.398 1.583 10 0 DDAELP CC(C)n1nnnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516042 163325890 /nfs/dbraw/zinc/32/58/90/163325890.db2.gz YQBHHCQLRMYWLU-ZDUSSCGKSA-N 2 2 301.398 1.583 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCC3CC3)C2)[nH+]1 ZINC000195516246 163326182 /nfs/dbraw/zinc/32/61/82/163326182.db2.gz BDZLMBWGLHRHPI-HNNXBMFYSA-N 2 2 302.422 1.650 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)[nH+]1 ZINC000195516246 163326187 /nfs/dbraw/zinc/32/61/87/163326187.db2.gz BDZLMBWGLHRHPI-HNNXBMFYSA-N 2 2 302.422 1.650 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257752 222195304 /nfs/dbraw/zinc/19/53/04/222195304.db2.gz GBELWMHRGKISGN-ZIAGYGMSSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257752 222195307 /nfs/dbraw/zinc/19/53/07/222195307.db2.gz GBELWMHRGKISGN-ZIAGYGMSSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257752 222195308 /nfs/dbraw/zinc/19/53/08/222195308.db2.gz GBELWMHRGKISGN-ZIAGYGMSSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257752 222195312 /nfs/dbraw/zinc/19/53/12/222195312.db2.gz GBELWMHRGKISGN-ZIAGYGMSSA-N 2 2 322.478 1.436 10 0 DDAELP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290442 222196286 /nfs/dbraw/zinc/19/62/86/222196286.db2.gz JTJXFVRYONHKAA-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290442 222196289 /nfs/dbraw/zinc/19/62/89/222196289.db2.gz JTJXFVRYONHKAA-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195290442 222196296 /nfs/dbraw/zinc/19/62/96/222196296.db2.gz JTJXFVRYONHKAA-DOTOQJQBSA-N 2 2 318.465 1.750 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973370 227289551 /nfs/dbraw/zinc/28/95/51/227289551.db2.gz BVQVXXDVTKRSHO-RYQLBKOJSA-N 3 2 303.450 1.211 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973370 227289556 /nfs/dbraw/zinc/28/95/56/227289556.db2.gz BVQVXXDVTKRSHO-RYQLBKOJSA-N 3 2 303.450 1.211 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616597719 422512627 /nfs/dbraw/zinc/51/26/27/422512627.db2.gz IZRGRHYEWLOFDD-CYBMUJFWSA-N 2 2 310.398 1.629 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616597719 422512635 /nfs/dbraw/zinc/51/26/35/422512635.db2.gz IZRGRHYEWLOFDD-CYBMUJFWSA-N 2 2 310.398 1.629 10 0 DDAELP C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)[C@@H](C[NH3+])C1 ZINC000333650160 274298365 /nfs/dbraw/zinc/29/83/65/274298365.db2.gz VQQACBKZTLZOMY-MGPQQGTHSA-N 2 2 305.426 1.529 10 0 DDAELP O=S1(=O)CC[C@@H]([NH2+]CCc2c[nH+]c[nH]2)c2cc(F)ccc21 ZINC000087543998 185227839 /nfs/dbraw/zinc/22/78/39/185227839.db2.gz FRLXPWLHUADTLO-CYBMUJFWSA-N 2 2 309.366 1.600 10 0 DDAELP O=S1(=O)CC[C@@H]([NH2+]CCc2c[nH]c[nH+]2)c2cc(F)ccc21 ZINC000087543998 185227840 /nfs/dbraw/zinc/22/78/40/185227840.db2.gz FRLXPWLHUADTLO-CYBMUJFWSA-N 2 2 309.366 1.600 10 0 DDAELP COc1ccc(Br)cc1[C@H](C[NH3+])[NH2+]CCCO ZINC000087929826 185237674 /nfs/dbraw/zinc/23/76/74/185237674.db2.gz FPSHTBJCTKQCPB-NSHDSACASA-N 2 2 303.200 1.430 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CCn2cccn2)CCC[NH+]1C ZINC000286597023 219073601 /nfs/dbraw/zinc/07/36/01/219073601.db2.gz AXSOMVRACLLBQQ-DOTOQJQBSA-N 2 2 316.453 1.632 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CCn2cccn2)CCC[NH+]1C ZINC000286597023 219073603 /nfs/dbraw/zinc/07/36/03/219073603.db2.gz AXSOMVRACLLBQQ-DOTOQJQBSA-N 2 2 316.453 1.632 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCn2cccn2)CCC[N@@H+]1C ZINC000286597023 219073605 /nfs/dbraw/zinc/07/36/05/219073605.db2.gz AXSOMVRACLLBQQ-DOTOQJQBSA-N 2 2 316.453 1.632 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCn2cccn2)CCC[N@H+]1C ZINC000286597023 219073608 /nfs/dbraw/zinc/07/36/08/219073608.db2.gz AXSOMVRACLLBQQ-DOTOQJQBSA-N 2 2 316.453 1.632 10 0 DDAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[NH2+]C1CC1 ZINC000154655873 354207444 /nfs/dbraw/zinc/20/74/44/354207444.db2.gz YZHHESLGNXZRPE-CQSZACIVSA-N 2 2 323.462 1.332 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328654080 354560249 /nfs/dbraw/zinc/56/02/49/354560249.db2.gz XDNVKGVKUOOTSD-LBPRGKRZSA-N 2 2 318.381 1.291 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1nc(C(N)=O)no1 ZINC000328654080 354560250 /nfs/dbraw/zinc/56/02/50/354560250.db2.gz XDNVKGVKUOOTSD-LBPRGKRZSA-N 2 2 318.381 1.291 10 0 DDAELP CC(C)c1nc(N2CC[C@@H]([NH+]3CCOCC3)C2)sc1C[NH3+] ZINC000093000319 193192396 /nfs/dbraw/zinc/19/23/96/193192396.db2.gz YEGVMMYFCOIRJV-GFCCVEGCSA-N 2 2 310.467 1.636 10 0 DDAELP CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@](C)(CC)C[NH3+] ZINC000093695991 193291843 /nfs/dbraw/zinc/29/18/43/193291843.db2.gz VGLSEZYMCMDHKD-GJZGRUSLSA-N 2 2 319.515 1.497 10 0 DDAELP CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@](C)(CC)C[NH3+] ZINC000093695991 193291845 /nfs/dbraw/zinc/29/18/45/193291845.db2.gz VGLSEZYMCMDHKD-GJZGRUSLSA-N 2 2 319.515 1.497 10 0 DDAELP CCC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697652 193292791 /nfs/dbraw/zinc/29/27/91/193292791.db2.gz LUZJRUZJOZPMAY-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP CCC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697652 193292792 /nfs/dbraw/zinc/29/27/92/193292792.db2.gz LUZJRUZJOZPMAY-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509003 193375932 /nfs/dbraw/zinc/37/59/32/193375932.db2.gz IPCMXIYHLRXLGP-QWHCGFSZSA-N 2 2 308.495 1.571 10 0 DDAELP [NH3+][C@@H](Cc1sccc1Br)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508148 193376009 /nfs/dbraw/zinc/37/60/09/193376009.db2.gz AVVXZEFMBSLGGZ-QWRGUYRKSA-N 2 2 316.268 1.380 10 0 DDAELP [NH3+][C@H](Cc1ccccc1Br)[C@H]1C[NH+]2CCN1CC2 ZINC000094508563 193376109 /nfs/dbraw/zinc/37/61/09/193376109.db2.gz LLGFBFUXQALISE-ZIAGYGMSSA-N 2 2 310.239 1.319 10 0 DDAELP Cn1cc[nH+]c1[C@@H](NC(=O)CC[NH+](C)C)c1ccccc1F ZINC000041536440 183199685 /nfs/dbraw/zinc/19/96/85/183199685.db2.gz MYUCACZJJFPIJZ-HNNXBMFYSA-N 2 2 304.369 1.717 10 0 DDAELP Clc1nc(NCC[NH+]2CCCCC2)nc(-n2cc[nH+]c2)n1 ZINC000061539593 184173720 /nfs/dbraw/zinc/17/37/20/184173720.db2.gz OBKHXIZMHNUDQL-UHFFFAOYSA-N 2 2 307.789 1.609 10 0 DDAELP COC(=O)[C@](C)(CCC[N@@H+]1CCCO[C@@H](C)C1)[NH2+]C(C)C ZINC000061933247 184196888 /nfs/dbraw/zinc/19/68/88/184196888.db2.gz YDIIUHGPUOOOSI-HOCLYGCPSA-N 2 2 300.443 1.807 10 0 DDAELP COC(=O)[C@](C)(CCC[N@H+]1CCCO[C@@H](C)C1)[NH2+]C(C)C ZINC000061933247 184196890 /nfs/dbraw/zinc/19/68/90/184196890.db2.gz YDIIUHGPUOOOSI-HOCLYGCPSA-N 2 2 300.443 1.807 10 0 DDAELP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCN(CC(F)(F)F)CC2)O1 ZINC000061948315 184198205 /nfs/dbraw/zinc/19/82/05/184198205.db2.gz BYIKAMCXGZVXAT-CHWSQXEVSA-N 2 2 309.376 1.323 10 0 DDAELP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062977900 184264032 /nfs/dbraw/zinc/26/40/32/184264032.db2.gz YYSONKKUZANPPT-DZKIICNBSA-N 2 2 309.479 1.851 10 0 DDAELP CCC[C@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000121951853 195379905 /nfs/dbraw/zinc/37/99/05/195379905.db2.gz BKNPXAURKLIJIJ-CVEARBPZSA-N 2 2 312.502 1.105 10 0 DDAELP CCC[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000121951853 195379908 /nfs/dbraw/zinc/37/99/08/195379908.db2.gz BKNPXAURKLIJIJ-CVEARBPZSA-N 2 2 312.502 1.105 10 0 DDAELP CN(Cc1noc(C[NH3+])n1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000261696607 407585227 /nfs/dbraw/zinc/58/52/27/407585227.db2.gz JISDLVQHVDJXHW-UHFFFAOYSA-N 2 2 312.377 1.405 10 0 DDAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)CCOC)C12CCOCC2 ZINC000186310585 407634989 /nfs/dbraw/zinc/63/49/89/407634989.db2.gz KMZAAZDKAMYMQA-CABCVRRESA-N 2 2 300.443 1.128 10 0 DDAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)CCOC)C12CCOCC2 ZINC000186310585 407634996 /nfs/dbraw/zinc/63/49/96/407634996.db2.gz KMZAAZDKAMYMQA-CABCVRRESA-N 2 2 300.443 1.128 10 0 DDAELP C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)[C@H]1CCC[NH2+]CC1 ZINC000262557958 407865692 /nfs/dbraw/zinc/86/56/92/407865692.db2.gz UPJKFGDJPKTVKW-LBPRGKRZSA-N 2 2 308.426 1.985 10 0 DDAELP C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)[C@H]1CCC[NH2+]CC1 ZINC000262557958 407865694 /nfs/dbraw/zinc/86/56/94/407865694.db2.gz UPJKFGDJPKTVKW-LBPRGKRZSA-N 2 2 308.426 1.985 10 0 DDAELP Cc1ccc(-n2cc[nH+]c2)c(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1 ZINC000263253687 408076878 /nfs/dbraw/zinc/07/68/78/408076878.db2.gz QGIUFDFJIGQJBE-OAHLLOKOSA-N 2 2 324.388 1.807 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3=CCCOC3)CC2)C1 ZINC000121064132 408153790 /nfs/dbraw/zinc/15/37/90/408153790.db2.gz VFISFBRGUGVSLT-GOSISDBHSA-N 2 2 323.481 1.060 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3=CCCOC3)CC2)C1 ZINC000121064132 408153798 /nfs/dbraw/zinc/15/37/98/408153798.db2.gz VFISFBRGUGVSLT-GOSISDBHSA-N 2 2 323.481 1.060 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1CC ZINC000246578425 408294489 /nfs/dbraw/zinc/29/44/89/408294489.db2.gz VMIHTRYHCVLQMK-IRXDYDNUSA-N 2 2 319.449 1.646 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1CC ZINC000246578425 408294492 /nfs/dbraw/zinc/29/44/92/408294492.db2.gz VMIHTRYHCVLQMK-IRXDYDNUSA-N 2 2 319.449 1.646 10 0 DDAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000151339052 408296947 /nfs/dbraw/zinc/29/69/47/408296947.db2.gz ALWZXDQJYBFFLJ-UKRRQHHQSA-N 2 2 306.406 1.913 10 0 DDAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173959532 162382371 /nfs/dbraw/zinc/38/23/71/162382371.db2.gz GXDKEIDVQPZKIQ-ARFHVFGLSA-N 2 2 309.454 1.040 10 0 DDAELP CCC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC000162028922 408663584 /nfs/dbraw/zinc/66/35/84/408663584.db2.gz VQCHWUSKEQYMCD-INIZCTEOSA-N 2 2 321.469 1.185 10 0 DDAELP CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC000162028922 408663592 /nfs/dbraw/zinc/66/35/92/408663592.db2.gz VQCHWUSKEQYMCD-INIZCTEOSA-N 2 2 321.469 1.185 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n(C)n1 ZINC000178284300 408798580 /nfs/dbraw/zinc/79/85/80/408798580.db2.gz FXJRGNBCKBRPGB-CQSZACIVSA-N 2 2 316.409 1.337 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n(C)n1 ZINC000178284300 408798584 /nfs/dbraw/zinc/79/85/84/408798584.db2.gz FXJRGNBCKBRPGB-CQSZACIVSA-N 2 2 316.409 1.337 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903667 423108046 /nfs/dbraw/zinc/10/80/46/423108046.db2.gz OAVNPQNCMDSJTR-HUUCEWRRSA-N 2 2 302.484 1.664 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903667 423108049 /nfs/dbraw/zinc/10/80/49/423108049.db2.gz OAVNPQNCMDSJTR-HUUCEWRRSA-N 2 2 302.484 1.664 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000282222323 278029852 /nfs/dbraw/zinc/02/98/52/278029852.db2.gz FAPFFDALAHOVKD-OHFALNGGSA-N 2 2 301.434 1.906 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000282222323 278029855 /nfs/dbraw/zinc/02/98/55/278029855.db2.gz FAPFFDALAHOVKD-OHFALNGGSA-N 2 2 301.434 1.906 10 0 DDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246884620 279266102 /nfs/dbraw/zinc/26/61/02/279266102.db2.gz GXDKEIDVQPZKIQ-BZUAXINKSA-N 2 2 309.454 1.040 10 0 DDAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246884620 279266103 /nfs/dbraw/zinc/26/61/03/279266103.db2.gz GXDKEIDVQPZKIQ-BZUAXINKSA-N 2 2 309.454 1.040 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000247088058 282034313 /nfs/dbraw/zinc/03/43/13/282034313.db2.gz PQENNKBILUNHRO-JKSUJKDBSA-N 2 2 319.405 1.827 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000247088058 282034315 /nfs/dbraw/zinc/03/43/15/282034315.db2.gz PQENNKBILUNHRO-JKSUJKDBSA-N 2 2 319.405 1.827 10 0 DDAELP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262401608 484271016 /nfs/dbraw/zinc/27/10/16/484271016.db2.gz CGUJZNNSXSCNNP-HOTGVXAUSA-N 2 2 309.454 1.217 10 0 DDAELP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081902234 192336461 /nfs/dbraw/zinc/33/64/61/192336461.db2.gz IUZUMQQLABEQJM-STQMWFEESA-N 2 2 307.419 1.956 10 0 DDAELP C[N@@H+]1CCCC[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315879 185175671 /nfs/dbraw/zinc/17/56/71/185175671.db2.gz LXFFNSZEGUUUKD-HNNXBMFYSA-N 2 2 302.422 1.605 10 0 DDAELP C[N@H+]1CCCC[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315879 185175672 /nfs/dbraw/zinc/17/56/72/185175672.db2.gz LXFFNSZEGUUUKD-HNNXBMFYSA-N 2 2 302.422 1.605 10 0 DDAELP Brc1cccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)c1 ZINC000090306607 185290298 /nfs/dbraw/zinc/29/02/98/185290298.db2.gz NKCGNAMFVRLYQB-UHFFFAOYSA-N 2 2 310.239 1.539 10 0 DDAELP C[N@@H+]1CCO[C@@H](COc2ccc(C[NH3+])cc2C(F)(F)F)C1 ZINC000092054595 193149959 /nfs/dbraw/zinc/14/99/59/193149959.db2.gz XMWDEKPDXBAYIZ-LLVKDONJSA-N 2 2 304.312 1.874 10 0 DDAELP C[N@H+]1CCO[C@@H](COc2ccc(C[NH3+])cc2C(F)(F)F)C1 ZINC000092054595 193149961 /nfs/dbraw/zinc/14/99/61/193149961.db2.gz XMWDEKPDXBAYIZ-LLVKDONJSA-N 2 2 304.312 1.874 10 0 DDAELP C[N@H+](CC(=O)NCCSc1ccccc1)CC(C)(C)C[NH3+] ZINC000093874084 193322589 /nfs/dbraw/zinc/32/25/89/193322589.db2.gz OMGAQOVLXRCAIR-UHFFFAOYSA-N 2 2 309.479 1.812 10 0 DDAELP C[N@@H+](CC(=O)NCCSc1ccccc1)CC(C)(C)C[NH3+] ZINC000093874084 193322590 /nfs/dbraw/zinc/32/25/90/193322590.db2.gz OMGAQOVLXRCAIR-UHFFFAOYSA-N 2 2 309.479 1.812 10 0 DDAELP CC[N@@H+]1CCO[C@H](c2noc(-c3sc(C[NH3+])nc3C)n2)C1 ZINC000093897122 193325339 /nfs/dbraw/zinc/32/53/39/193325339.db2.gz SOEVOWSAVSKUMM-VIFPVBQESA-N 2 2 309.395 1.353 10 0 DDAELP CC[N@H+]1CCO[C@H](c2noc(-c3sc(C[NH3+])nc3C)n2)C1 ZINC000093897122 193325341 /nfs/dbraw/zinc/32/53/41/193325341.db2.gz SOEVOWSAVSKUMM-VIFPVBQESA-N 2 2 309.395 1.353 10 0 DDAELP CC[N@@H+]1CCO[C@@H](COc2c(F)cc(CC[NH3+])cc2F)C1 ZINC000094349790 193363459 /nfs/dbraw/zinc/36/34/59/193363459.db2.gz AQDDVXZFTQXABO-GFCCVEGCSA-N 2 2 300.349 1.566 10 0 DDAELP CC[N@H+]1CCO[C@@H](COc2c(F)cc(CC[NH3+])cc2F)C1 ZINC000094349790 193363460 /nfs/dbraw/zinc/36/34/60/193363460.db2.gz AQDDVXZFTQXABO-GFCCVEGCSA-N 2 2 300.349 1.566 10 0 DDAELP CCc1nc(C[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)cs1 ZINC000040508431 183085987 /nfs/dbraw/zinc/08/59/87/183085987.db2.gz GMBOUGPZVINTQN-CYBMUJFWSA-N 2 2 308.451 1.102 10 0 DDAELP CCc1nc(C[N@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)cs1 ZINC000040508431 183085989 /nfs/dbraw/zinc/08/59/89/183085989.db2.gz GMBOUGPZVINTQN-CYBMUJFWSA-N 2 2 308.451 1.102 10 0 DDAELP [NH3+]CCC[N@@H+]1CCCN(c2ncccc2Br)CC1 ZINC000042375910 183262079 /nfs/dbraw/zinc/26/20/79/183262079.db2.gz JXMCKCNBVGLBCQ-UHFFFAOYSA-N 2 2 313.243 1.705 10 0 DDAELP [NH3+]CCC[N@H+]1CCCN(c2ncccc2Br)CC1 ZINC000042375910 183262082 /nfs/dbraw/zinc/26/20/82/183262082.db2.gz JXMCKCNBVGLBCQ-UHFFFAOYSA-N 2 2 313.243 1.705 10 0 DDAELP COc1c(C)c[nH+]c(CN2CC[NH+](CC(N)=S)CC2)c1C ZINC000109442654 194264111 /nfs/dbraw/zinc/26/41/11/194264111.db2.gz VVQLSCPVOHWJBA-UHFFFAOYSA-N 2 2 308.451 1.111 10 0 DDAELP CC[NH2+]Cc1sc(N2CC[C@H]([NH+]3CCOCC3)C2)nc1C ZINC000110275798 194319101 /nfs/dbraw/zinc/31/91/01/194319101.db2.gz XKPWDUKFARWCSY-ZDUSSCGKSA-N 2 2 310.467 1.472 10 0 DDAELP CCCc1nc(N2CC[C@@H]([NH+]3CCOCC3)C2)sc1C[NH3+] ZINC000110275788 194319186 /nfs/dbraw/zinc/31/91/86/194319186.db2.gz YCMNONCLPRVLFJ-GFCCVEGCSA-N 2 2 310.467 1.465 10 0 DDAELP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)[NH2+]C ZINC000111145594 194395204 /nfs/dbraw/zinc/39/52/04/194395204.db2.gz DFLNAGPQTGZBLW-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)[NH2+]C ZINC000111145594 194395205 /nfs/dbraw/zinc/39/52/05/194395205.db2.gz DFLNAGPQTGZBLW-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CC(C)[N@H+]1C[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C)C1 ZINC000158950176 197313319 /nfs/dbraw/zinc/31/33/19/197313319.db2.gz ZILPNRDSICBGOU-ZFWWWQNUSA-N 2 2 300.406 1.722 10 0 DDAELP CC(C)[N@@H+]1C[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@@H](C)C1 ZINC000158950176 197313320 /nfs/dbraw/zinc/31/33/20/197313320.db2.gz ZILPNRDSICBGOU-ZFWWWQNUSA-N 2 2 300.406 1.722 10 0 DDAELP Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000120855930 195251247 /nfs/dbraw/zinc/25/12/47/195251247.db2.gz ISDFSJXOEVOKBO-DZGCQCFKSA-N 2 2 304.394 1.574 10 0 DDAELP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3nccs3)CC[C@H]2C1 ZINC000247988956 257112177 /nfs/dbraw/zinc/11/21/77/257112177.db2.gz LAPPKJSWEWCABS-GJZGRUSLSA-N 2 2 324.494 1.227 10 0 DDAELP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3nccs3)CC[C@H]2C1 ZINC000247988956 257112178 /nfs/dbraw/zinc/11/21/78/257112178.db2.gz LAPPKJSWEWCABS-GJZGRUSLSA-N 2 2 324.494 1.227 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCS(=O)(=O)C(C)C ZINC000121677368 195327880 /nfs/dbraw/zinc/32/78/80/195327880.db2.gz YFNBFDOVIJOFSJ-HNNXBMFYSA-N 2 2 313.467 1.869 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000121677368 195327881 /nfs/dbraw/zinc/32/78/81/195327881.db2.gz YFNBFDOVIJOFSJ-HNNXBMFYSA-N 2 2 313.467 1.869 10 0 DDAELP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000262269910 407778206 /nfs/dbraw/zinc/77/82/06/407778206.db2.gz SHEXEDLOTZHEDZ-ZDUSSCGKSA-N 2 2 302.378 1.744 10 0 DDAELP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000262269910 407778209 /nfs/dbraw/zinc/77/82/09/407778209.db2.gz SHEXEDLOTZHEDZ-ZDUSSCGKSA-N 2 2 302.378 1.744 10 0 DDAELP CCS(=O)(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000118396113 407912980 /nfs/dbraw/zinc/91/29/80/407912980.db2.gz DVCQMGASAHCLOV-AWEZNQCLSA-N 2 2 311.451 1.559 10 0 DDAELP CCS(=O)(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000118396113 407912987 /nfs/dbraw/zinc/91/29/87/407912987.db2.gz DVCQMGASAHCLOV-AWEZNQCLSA-N 2 2 311.451 1.559 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263227156 408065026 /nfs/dbraw/zinc/06/50/26/408065026.db2.gz MYVCAQSAOXNVID-NWDGAFQWSA-N 2 2 312.364 1.606 10 0 DDAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263197871 408054360 /nfs/dbraw/zinc/05/43/60/408054360.db2.gz IRNCEPCVZIKWSL-IAGOWNOFSA-N 3 2 305.466 1.315 10 0 DDAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263197871 408054363 /nfs/dbraw/zinc/05/43/63/408054363.db2.gz IRNCEPCVZIKWSL-IAGOWNOFSA-N 3 2 305.466 1.315 10 0 DDAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)o1 ZINC000121035303 408155137 /nfs/dbraw/zinc/15/51/37/408155137.db2.gz HNDVDUHVZIOESM-GOSISDBHSA-N 2 2 321.465 1.815 10 0 DDAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)o1 ZINC000121035303 408155140 /nfs/dbraw/zinc/15/51/40/408155140.db2.gz HNDVDUHVZIOESM-GOSISDBHSA-N 2 2 321.465 1.815 10 0 DDAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299669 408291299 /nfs/dbraw/zinc/29/12/99/408291299.db2.gz HXPRWIMOZQVZRY-GDBMZVCRSA-N 2 2 320.433 1.955 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000247092770 408405792 /nfs/dbraw/zinc/40/57/92/408405792.db2.gz IDZVVEYQKFHCNZ-HIFRSBDPSA-N 2 2 317.437 1.526 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000247092770 408405799 /nfs/dbraw/zinc/40/57/99/408405799.db2.gz IDZVVEYQKFHCNZ-HIFRSBDPSA-N 2 2 317.437 1.526 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nnnn1C1CC1 ZINC000192058483 408538448 /nfs/dbraw/zinc/53/84/48/408538448.db2.gz SJOURSAZFPQKLH-SMDDNHRTSA-N 2 2 301.398 1.739 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnnn1C1CC1 ZINC000192058483 408538455 /nfs/dbraw/zinc/53/84/55/408538455.db2.gz SJOURSAZFPQKLH-SMDDNHRTSA-N 2 2 301.398 1.739 10 0 DDAELP Cn1nccc1C[N@@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328638176 418606959 /nfs/dbraw/zinc/60/69/59/418606959.db2.gz PAIQFQGZNDAMOU-CYBMUJFWSA-N 2 2 300.410 1.864 10 0 DDAELP Cn1nccc1C[N@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328638176 418606962 /nfs/dbraw/zinc/60/69/62/418606962.db2.gz PAIQFQGZNDAMOU-CYBMUJFWSA-N 2 2 300.410 1.864 10 0 DDAELP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631843511 421879663 /nfs/dbraw/zinc/87/96/63/421879663.db2.gz OVZAIXPZLHRSNR-MNOVXSKESA-N 2 2 315.870 1.887 10 0 DDAELP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C[C@@H]1C[NH3+] ZINC000631843511 421879670 /nfs/dbraw/zinc/87/96/70/421879670.db2.gz OVZAIXPZLHRSNR-MNOVXSKESA-N 2 2 315.870 1.887 10 0 DDAELP CN1C[C@@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000658244268 424618079 /nfs/dbraw/zinc/61/80/79/424618079.db2.gz LAAXBAPNTKCTOO-IAGOWNOFSA-N 2 2 301.434 1.719 10 0 DDAELP CN1C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000658244268 424618083 /nfs/dbraw/zinc/61/80/83/424618083.db2.gz LAAXBAPNTKCTOO-IAGOWNOFSA-N 2 2 301.434 1.719 10 0 DDAELP C[C@@H]([NH3+])[C@H]1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261810730 278318461 /nfs/dbraw/zinc/31/84/61/278318461.db2.gz GLNBZUNNDYEQSR-OLZOCXBDSA-N 2 2 308.389 1.989 10 0 DDAELP [NH3+]C1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCC1 ZINC000178773817 697428458 /nfs/dbraw/zinc/42/84/58/697428458.db2.gz NPDDRHTZGWBUPF-INIZCTEOSA-N 2 2 317.433 1.136 10 0 DDAELP COCCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC[NH+](C)CC1 ZINC000901000100 709872513 /nfs/dbraw/zinc/87/25/13/709872513.db2.gz JUKKAJJNNNQSSM-UHFFFAOYSA-N 2 2 308.426 1.391 10 0 DDAELP Fc1cc(F)cc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000077120251 185110316 /nfs/dbraw/zinc/11/03/16/185110316.db2.gz WBKQKOOJYMOOOM-UHFFFAOYSA-N 2 2 306.360 1.979 10 0 DDAELP O=S1(=O)CC[C@H]([NH2+]CCc2c[nH+]c[nH]2)c2cc(F)ccc21 ZINC000087544000 185227981 /nfs/dbraw/zinc/22/79/81/185227981.db2.gz FRLXPWLHUADTLO-ZDUSSCGKSA-N 2 2 309.366 1.600 10 0 DDAELP O=S1(=O)CC[C@H]([NH2+]CCc2c[nH]c[nH+]2)c2cc(F)ccc21 ZINC000087544000 185227982 /nfs/dbraw/zinc/22/79/82/185227982.db2.gz FRLXPWLHUADTLO-ZDUSSCGKSA-N 2 2 309.366 1.600 10 0 DDAELP Clc1cc(C[NH+]2CCN(C3C[NH2+]C3)CC2)cc2c1OCO2 ZINC000090307625 185290280 /nfs/dbraw/zinc/29/02/80/185290280.db2.gz FZFHKAWCZMYRKD-UHFFFAOYSA-N 2 2 309.797 1.158 10 0 DDAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337695 185291873 /nfs/dbraw/zinc/29/18/73/185291873.db2.gz LKZYXIUDIMXYHR-JQWIXIFHSA-N 2 2 304.419 1.186 10 0 DDAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337695 185291874 /nfs/dbraw/zinc/29/18/74/185291874.db2.gz LKZYXIUDIMXYHR-JQWIXIFHSA-N 2 2 304.419 1.186 10 0 DDAELP Ic1ccc(C[NH2+]CCc2c[nH]c[nH+]2)o1 ZINC000083610529 192375362 /nfs/dbraw/zinc/37/53/62/192375362.db2.gz FOBHXABQOOXEKL-UHFFFAOYSA-N 2 2 317.130 1.940 10 0 DDAELP Ic1ccc(C[NH2+]CCc2c[nH+]c[nH]2)o1 ZINC000083610529 192375363 /nfs/dbraw/zinc/37/53/63/192375363.db2.gz FOBHXABQOOXEKL-UHFFFAOYSA-N 2 2 317.130 1.940 10 0 DDAELP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)no1 ZINC000237061906 202138964 /nfs/dbraw/zinc/13/89/64/202138964.db2.gz ZNVALNWKLWAMOX-WDEREUQCSA-N 2 2 309.414 1.000 10 0 DDAELP C[NH2+]CC1(C[NH+]2CCN(S(C)(=O)=O)CC2)CCCCCC1 ZINC000089565466 192817489 /nfs/dbraw/zinc/81/74/89/192817489.db2.gz LKZNLCZDXMIPQD-UHFFFAOYSA-N 2 2 317.499 1.124 10 0 DDAELP Cc1cn2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3c3cnn(C)c3)ccc2[nH+]1 ZINC000262355054 203272714 /nfs/dbraw/zinc/27/27/14/203272714.db2.gz URUDJOOPRCBUSD-CABCVRRESA-N 2 2 324.388 1.318 10 0 DDAELP C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1C[N@H+](C)CCN1C ZINC000094257034 193355596 /nfs/dbraw/zinc/35/55/96/193355596.db2.gz GGMBTZGMPLWENA-STQMWFEESA-N 2 2 310.511 1.817 10 0 DDAELP C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@@H]1C[N@@H+](C)CCN1C ZINC000094257034 193355597 /nfs/dbraw/zinc/35/55/97/193355597.db2.gz GGMBTZGMPLWENA-STQMWFEESA-N 2 2 310.511 1.817 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094508434 193375696 /nfs/dbraw/zinc/37/56/96/193375696.db2.gz NGMZAEXPWWYUOA-UONOGXRCSA-N 2 2 300.233 1.863 10 0 DDAELP C[NH+](C)CCC[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000020054159 182184098 /nfs/dbraw/zinc/18/40/98/182184098.db2.gz CQAJUKWZYMFFJC-UHFFFAOYSA-N 2 2 314.227 1.929 10 0 DDAELP C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000021042281 182263170 /nfs/dbraw/zinc/26/31/70/182263170.db2.gz ZMTMHKVOXBAKTM-JSGCOSHPSA-N 2 2 305.403 1.710 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981503 183391257 /nfs/dbraw/zinc/39/12/57/183391257.db2.gz VBPGECNEORMBLF-RRFJBIMHSA-N 2 2 300.443 1.617 10 0 DDAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)[C@@H](C)COC)OCCO2 ZINC000043981503 183391260 /nfs/dbraw/zinc/39/12/60/183391260.db2.gz VBPGECNEORMBLF-RRFJBIMHSA-N 2 2 300.443 1.617 10 0 DDAELP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896274 194162150 /nfs/dbraw/zinc/16/21/50/194162150.db2.gz DEWNLLVJUGEHNH-ZDUSSCGKSA-N 2 2 321.425 1.318 10 0 DDAELP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105896274 194162152 /nfs/dbraw/zinc/16/21/52/194162152.db2.gz DEWNLLVJUGEHNH-ZDUSSCGKSA-N 2 2 321.425 1.318 10 0 DDAELP CC[NH2+][C@H](C[NH3+])c1cc(Br)c2c(c1)OCCO2 ZINC000050270297 183781447 /nfs/dbraw/zinc/78/14/47/183781447.db2.gz BEJKUMDDUCWYBM-SNVBAGLBSA-N 2 2 301.184 1.830 10 0 DDAELP Cc1cc(N2CC[NH+]([C@@H](C)C(N)=S)CC2)nc(C(C)C)[nH+]1 ZINC000109471173 194266848 /nfs/dbraw/zinc/26/68/48/194266848.db2.gz YFVHGHXRTSYAFN-LBPRGKRZSA-N 2 2 307.467 1.705 10 0 DDAELP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000110763448 194357003 /nfs/dbraw/zinc/35/70/03/194357003.db2.gz CECQURLGQAQIHY-QWHCGFSZSA-N 2 2 311.451 1.292 10 0 DDAELP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000110763448 194357005 /nfs/dbraw/zinc/35/70/05/194357005.db2.gz CECQURLGQAQIHY-QWHCGFSZSA-N 2 2 311.451 1.292 10 0 DDAELP C[C@@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061539155 184173223 /nfs/dbraw/zinc/17/32/23/184173223.db2.gz NRYSUHPCYUBMIA-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP C[N@@H+]1CCCC[C@H]1CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061540829 184173749 /nfs/dbraw/zinc/17/37/49/184173749.db2.gz YZJQJAMFSQUVRE-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP C[N@H+]1CCCC[C@H]1CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061540829 184173750 /nfs/dbraw/zinc/17/37/50/184173750.db2.gz YZJQJAMFSQUVRE-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCN(CC(F)(F)F)CC2)O1 ZINC000061948313 184197914 /nfs/dbraw/zinc/19/79/14/184197914.db2.gz BYIKAMCXGZVXAT-QWHCGFSZSA-N 2 2 309.376 1.323 10 0 DDAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096379 184205933 /nfs/dbraw/zinc/20/59/33/184205933.db2.gz MWFDHUDCBUBPNI-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP COCC[N@@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@H]1C ZINC000120826073 195245649 /nfs/dbraw/zinc/24/56/49/195245649.db2.gz IUWGGQRPKISXSR-OAHLLOKOSA-N 2 2 302.422 1.795 10 0 DDAELP COCC[N@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@H]1C ZINC000120826073 195245651 /nfs/dbraw/zinc/24/56/51/195245651.db2.gz IUWGGQRPKISXSR-OAHLLOKOSA-N 2 2 302.422 1.795 10 0 DDAELP COCCc1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261633855 407560403 /nfs/dbraw/zinc/56/04/03/407560403.db2.gz FAXZELZALRELLP-CABCVRRESA-N 2 2 316.405 1.433 10 0 DDAELP COCCc1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261633855 407560407 /nfs/dbraw/zinc/56/04/07/407560407.db2.gz FAXZELZALRELLP-CABCVRRESA-N 2 2 316.405 1.433 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261616116 407553727 /nfs/dbraw/zinc/55/37/27/407553727.db2.gz FTLRDHDJHMTYMN-IACUBPJLSA-N 2 2 308.451 1.685 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261616116 407553733 /nfs/dbraw/zinc/55/37/33/407553733.db2.gz FTLRDHDJHMTYMN-IACUBPJLSA-N 2 2 308.451 1.685 10 0 DDAELP [NH3+]C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000261722987 407591593 /nfs/dbraw/zinc/59/15/93/407591593.db2.gz LZUGUJICQDGPFT-ZDUSSCGKSA-N 2 2 308.389 1.991 10 0 DDAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000171628045 407727329 /nfs/dbraw/zinc/72/73/29/407727329.db2.gz PUIBNUFVFKWJKU-VXGBXAGGSA-N 2 2 307.398 1.028 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000262566243 407867725 /nfs/dbraw/zinc/86/77/25/407867725.db2.gz WREZNEDFDLQUHC-SRVKXCTJSA-N 2 2 306.410 1.580 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000262566243 407867728 /nfs/dbraw/zinc/86/77/28/407867728.db2.gz WREZNEDFDLQUHC-SRVKXCTJSA-N 2 2 306.410 1.580 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCNC(=O)C(F)(F)F ZINC000180705267 407912258 /nfs/dbraw/zinc/91/22/58/407912258.db2.gz XCESOMZSYVVBJS-LBPRGKRZSA-N 2 2 318.343 1.725 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCNC(=O)C(F)(F)F ZINC000180705267 407912264 /nfs/dbraw/zinc/91/22/64/407912264.db2.gz XCESOMZSYVVBJS-LBPRGKRZSA-N 2 2 318.343 1.725 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000173663516 407893785 /nfs/dbraw/zinc/89/37/85/407893785.db2.gz XKDBOHGZEUUKQS-JKSUJKDBSA-N 2 2 311.470 1.430 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000173663516 407893787 /nfs/dbraw/zinc/89/37/87/407893787.db2.gz XKDBOHGZEUUKQS-JKSUJKDBSA-N 2 2 311.470 1.430 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccnn2C)nc[nH+]1 ZINC000177557747 408657451 /nfs/dbraw/zinc/65/74/51/408657451.db2.gz BICUVFXTPBTQMA-CYBMUJFWSA-N 2 2 301.398 1.010 10 0 DDAELP C[N@H+](CCOCC(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182332 163088406 /nfs/dbraw/zinc/08/84/06/163088406.db2.gz ABTVXUDULYCOBO-UHFFFAOYSA-N 2 2 316.396 1.561 10 0 DDAELP C[N@@H+](CCOCC(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182332 163088410 /nfs/dbraw/zinc/08/84/10/163088410.db2.gz ABTVXUDULYCOBO-UHFFFAOYSA-N 2 2 316.396 1.561 10 0 DDAELP C[N@H+](C[C@@H]1CCC=CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000193904082 163270895 /nfs/dbraw/zinc/27/08/95/163270895.db2.gz DROPRTHBIRVBJU-KRWDZBQOSA-N 2 2 304.438 1.972 10 0 DDAELP C[N@@H+](C[C@@H]1CCC=CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000193904082 163270897 /nfs/dbraw/zinc/27/08/97/163270897.db2.gz DROPRTHBIRVBJU-KRWDZBQOSA-N 2 2 304.438 1.972 10 0 DDAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515999 163326031 /nfs/dbraw/zinc/32/60/31/163326031.db2.gz ATVXVDDAEDKMTO-OAHLLOKOSA-N 2 2 302.422 1.684 10 0 DDAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515999 163326035 /nfs/dbraw/zinc/32/60/35/163326035.db2.gz ATVXVDDAEDKMTO-OAHLLOKOSA-N 2 2 302.422 1.684 10 0 DDAELP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000261721945 278053400 /nfs/dbraw/zinc/05/34/00/278053400.db2.gz NODZUHZFRGHGDC-ZBFHGGJFSA-N 2 2 317.433 1.860 10 0 DDAELP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000261721945 278053401 /nfs/dbraw/zinc/05/34/01/278053401.db2.gz NODZUHZFRGHGDC-ZBFHGGJFSA-N 2 2 317.433 1.860 10 0 DDAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccon3)C2)ccn1 ZINC000886026734 708683941 /nfs/dbraw/zinc/68/39/41/708683941.db2.gz RRCFFKIFJZWTCF-MRXNPFEDSA-N 2 2 302.378 1.785 10 0 DDAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccon3)C2)ccn1 ZINC000886026734 708683944 /nfs/dbraw/zinc/68/39/44/708683944.db2.gz RRCFFKIFJZWTCF-MRXNPFEDSA-N 2 2 302.378 1.785 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853953 539509342 /nfs/dbraw/zinc/50/93/42/539509342.db2.gz YHSGDJYWQRGDIB-QRQLOZEOSA-N 2 2 317.477 1.817 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853953 539509343 /nfs/dbraw/zinc/50/93/43/539509343.db2.gz YHSGDJYWQRGDIB-QRQLOZEOSA-N 2 2 317.477 1.817 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853953 539509346 /nfs/dbraw/zinc/50/93/46/539509346.db2.gz YHSGDJYWQRGDIB-QRQLOZEOSA-N 2 2 317.477 1.817 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853953 539509348 /nfs/dbraw/zinc/50/93/48/539509348.db2.gz YHSGDJYWQRGDIB-QRQLOZEOSA-N 2 2 317.477 1.817 10 0 DDAELP CN(C)c1nc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)ns1 ZINC000328635522 354555322 /nfs/dbraw/zinc/55/53/22/354555322.db2.gz NJMIBSYTQTULJO-LLVKDONJSA-N 2 2 306.439 1.495 10 0 DDAELP CN(C)c1nc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)ns1 ZINC000328635522 354555323 /nfs/dbraw/zinc/55/53/23/354555323.db2.gz NJMIBSYTQTULJO-LLVKDONJSA-N 2 2 306.439 1.495 10 0 DDAELP OCC[N@@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000384744775 354630054 /nfs/dbraw/zinc/63/00/54/354630054.db2.gz RGXVISYPRLFDSS-LJQANCHMSA-N 2 2 317.477 1.697 10 0 DDAELP OCC[N@H+]1CCC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000384744775 354630056 /nfs/dbraw/zinc/63/00/56/354630056.db2.gz RGXVISYPRLFDSS-LJQANCHMSA-N 2 2 317.477 1.697 10 0 DDAELP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676961 199195206 /nfs/dbraw/zinc/19/52/06/199195206.db2.gz JNLHGVACAOZHOD-NEPJUHHUSA-N 2 2 315.377 1.367 10 0 DDAELP C[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+]2CCCC2)CCCC1 ZINC000091641023 193083259 /nfs/dbraw/zinc/08/32/59/193083259.db2.gz FBGRBXUOMZHFSQ-AWEZNQCLSA-N 2 2 302.484 1.808 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@@H]1C[N@H+](C)CCN1C ZINC000093894752 193324427 /nfs/dbraw/zinc/32/44/27/193324427.db2.gz WDJWBTVTSRNJKZ-OCCSQVGLSA-N 2 2 313.877 1.241 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894752 193324428 /nfs/dbraw/zinc/32/44/28/193324428.db2.gz WDJWBTVTSRNJKZ-OCCSQVGLSA-N 2 2 313.877 1.241 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@H]1C[N@H+](CC)CCO1 ZINC000093913898 193327515 /nfs/dbraw/zinc/32/75/15/193327515.db2.gz JIKIZHJSAYTREX-DGCLKSJQSA-N 2 2 300.834 1.455 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@H]1C[N@@H+](CC)CCO1 ZINC000093913898 193327517 /nfs/dbraw/zinc/32/75/17/193327517.db2.gz JIKIZHJSAYTREX-DGCLKSJQSA-N 2 2 300.834 1.455 10 0 DDAELP CCCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862685 194149318 /nfs/dbraw/zinc/14/93/18/194149318.db2.gz NZFQTLFMDSBNGJ-CYBMUJFWSA-N 2 2 310.442 1.547 10 0 DDAELP CCCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862685 194149319 /nfs/dbraw/zinc/14/93/19/194149319.db2.gz NZFQTLFMDSBNGJ-CYBMUJFWSA-N 2 2 310.442 1.547 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)CCCOC)OCCO2 ZINC000062031290 184202148 /nfs/dbraw/zinc/20/21/48/184202148.db2.gz KCCBIYWNOWMRQI-HUUCEWRRSA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)CCCOC)OCCO2 ZINC000062031290 184202149 /nfs/dbraw/zinc/20/21/49/184202149.db2.gz KCCBIYWNOWMRQI-HUUCEWRRSA-N 2 2 300.443 1.619 10 0 DDAELP CC[C@@]1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]C1 ZINC000062894720 184259002 /nfs/dbraw/zinc/25/90/02/184259002.db2.gz SQAHKPGUSHWDBA-MRXNPFEDSA-N 2 2 307.463 1.782 10 0 DDAELP c1coc(C[N@@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247948573 257114416 /nfs/dbraw/zinc/11/44/16/257114416.db2.gz XPKSEAABUIKEIZ-PBHICJAKSA-N 2 2 306.406 1.591 10 0 DDAELP c1coc(C[N@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247948573 257114417 /nfs/dbraw/zinc/11/44/17/257114417.db2.gz XPKSEAABUIKEIZ-PBHICJAKSA-N 2 2 306.406 1.591 10 0 DDAELP c1coc(C[NH+]2CCO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247948573 257114418 /nfs/dbraw/zinc/11/44/18/257114418.db2.gz XPKSEAABUIKEIZ-PBHICJAKSA-N 2 2 306.406 1.591 10 0 DDAELP c1coc(C[NH+]2CCO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000247948573 257114419 /nfs/dbraw/zinc/11/44/19/257114419.db2.gz XPKSEAABUIKEIZ-PBHICJAKSA-N 2 2 306.406 1.591 10 0 DDAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261699098 407584781 /nfs/dbraw/zinc/58/47/81/407584781.db2.gz JMZRGIZRMYUVCW-MSOLQXFVSA-N 2 2 324.428 1.372 10 0 DDAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261699098 407584786 /nfs/dbraw/zinc/58/47/86/407584786.db2.gz JMZRGIZRMYUVCW-MSOLQXFVSA-N 2 2 324.428 1.372 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262396844 407824614 /nfs/dbraw/zinc/82/46/14/407824614.db2.gz BZGFUKBVQHCCQG-IHRRRGAJSA-N 2 2 303.406 1.611 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262396844 407824620 /nfs/dbraw/zinc/82/46/20/407824620.db2.gz BZGFUKBVQHCCQG-IHRRRGAJSA-N 2 2 303.406 1.611 10 0 DDAELP CCn1c(C)nnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173956513 407909558 /nfs/dbraw/zinc/90/95/58/407909558.db2.gz SHUMZUYLIOXPOK-UHFFFAOYSA-N 2 2 321.469 1.683 10 0 DDAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263097192 408023104 /nfs/dbraw/zinc/02/31/04/408023104.db2.gz YYXWEKVNRKUHTE-SNPRPXQTSA-N 2 2 323.387 1.935 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000246441302 408256818 /nfs/dbraw/zinc/25/68/18/408256818.db2.gz ONIXSRLPSFWEIY-RRFJBIMHSA-N 3 2 318.469 1.559 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000246441302 408256823 /nfs/dbraw/zinc/25/68/23/408256823.db2.gz ONIXSRLPSFWEIY-RRFJBIMHSA-N 3 2 318.469 1.559 10 0 DDAELP C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000171939382 162249673 /nfs/dbraw/zinc/24/96/73/162249673.db2.gz HKWACBPPYSLBIN-HUUCEWRRSA-N 2 2 301.438 1.997 10 0 DDAELP C[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000171939382 162249678 /nfs/dbraw/zinc/24/96/78/162249678.db2.gz HKWACBPPYSLBIN-HUUCEWRRSA-N 2 2 301.438 1.997 10 0 DDAELP CCC[C@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000338212899 409805591 /nfs/dbraw/zinc/80/55/91/409805591.db2.gz COHRCQYKKYJHKU-UONOGXRCSA-N 3 2 319.453 1.018 10 0 DDAELP COCCn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000374256066 418511767 /nfs/dbraw/zinc/51/17/67/418511767.db2.gz UQDRUGFFTNWLDK-INIZCTEOSA-N 2 2 303.410 1.699 10 0 DDAELP COCCn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000374256066 418511770 /nfs/dbraw/zinc/51/17/70/418511770.db2.gz UQDRUGFFTNWLDK-INIZCTEOSA-N 2 2 303.410 1.699 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000168032907 298217800 /nfs/dbraw/zinc/21/78/00/298217800.db2.gz RSWJEAGFAFKMOV-PBHICJAKSA-N 2 2 317.433 1.053 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000168032907 298217803 /nfs/dbraw/zinc/21/78/03/298217803.db2.gz RSWJEAGFAFKMOV-PBHICJAKSA-N 2 2 317.433 1.053 10 0 DDAELP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396398221 483994325 /nfs/dbraw/zinc/99/43/25/483994325.db2.gz WQQDLJITQDVCKO-CRAIPNDOSA-N 2 2 301.434 1.861 10 0 DDAELP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396398221 483994333 /nfs/dbraw/zinc/99/43/33/483994333.db2.gz WQQDLJITQDVCKO-CRAIPNDOSA-N 2 2 301.434 1.861 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000261622432 484252872 /nfs/dbraw/zinc/25/28/72/484252872.db2.gz AXBJKCKJSWGSGY-ZWNOBZJWSA-N 2 2 306.797 1.979 10 0 DDAELP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662992 282097330 /nfs/dbraw/zinc/09/73/30/282097330.db2.gz YZWUJWMRSCEBSB-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662992 282097333 /nfs/dbraw/zinc/09/73/33/282097333.db2.gz YZWUJWMRSCEBSB-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662992 282097337 /nfs/dbraw/zinc/09/73/37/282097337.db2.gz YZWUJWMRSCEBSB-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662992 282097339 /nfs/dbraw/zinc/09/73/39/282097339.db2.gz YZWUJWMRSCEBSB-WBVHZDCISA-N 2 2 318.465 1.750 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661166 282097501 /nfs/dbraw/zinc/09/75/01/282097501.db2.gz WRSCMWIWQHERFX-ZIAGYGMSSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661166 282097504 /nfs/dbraw/zinc/09/75/04/282097504.db2.gz WRSCMWIWQHERFX-ZIAGYGMSSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661166 282097509 /nfs/dbraw/zinc/09/75/09/282097509.db2.gz WRSCMWIWQHERFX-ZIAGYGMSSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661166 282097513 /nfs/dbraw/zinc/09/75/13/282097513.db2.gz WRSCMWIWQHERFX-ZIAGYGMSSA-N 2 2 324.494 1.682 10 0 DDAELP CN1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328621189 354548585 /nfs/dbraw/zinc/54/85/85/354548585.db2.gz HNPNODVVBAXPRY-AWEZNQCLSA-N 2 2 310.361 1.186 10 0 DDAELP OCC[NH+]1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000625146075 366739912 /nfs/dbraw/zinc/73/99/12/366739912.db2.gz XAGACKPLAZPVGL-UHFFFAOYSA-N 2 2 314.227 1.390 10 0 DDAELP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194018355 201163587 /nfs/dbraw/zinc/16/35/87/201163587.db2.gz BCPXZUFROHQSOJ-MRXNPFEDSA-N 2 2 303.406 1.599 10 0 DDAELP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279658 201373371 /nfs/dbraw/zinc/37/33/71/201373371.db2.gz IVVQXHZTGBTOKX-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP COC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279658 201373375 /nfs/dbraw/zinc/37/33/75/201373375.db2.gz IVVQXHZTGBTOKX-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP COC(=O)CCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279658 201373378 /nfs/dbraw/zinc/37/33/78/201373378.db2.gz IVVQXHZTGBTOKX-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP COC(=O)CCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279658 201373380 /nfs/dbraw/zinc/37/33/80/201373380.db2.gz IVVQXHZTGBTOKX-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2C[N@H+](C)CCO2)c1Cl ZINC000091717416 193097140 /nfs/dbraw/zinc/09/71/40/193097140.db2.gz ABLFVFWPBDAWAD-ZWNOBZJWSA-N 2 2 300.834 1.319 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2C[N@@H+](C)CCO2)c1Cl ZINC000091717416 193097141 /nfs/dbraw/zinc/09/71/41/193097141.db2.gz ABLFVFWPBDAWAD-ZWNOBZJWSA-N 2 2 300.834 1.319 10 0 DDAELP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696588 193291751 /nfs/dbraw/zinc/29/17/51/193291751.db2.gz APGDCJBJQHLTRB-HUUCEWRRSA-N 2 2 317.499 1.122 10 0 DDAELP NNc1[nH+]cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Cl ZINC000094444648 193369446 /nfs/dbraw/zinc/36/94/46/193369446.db2.gz OZTWFZQDZLOQOO-NSHDSACASA-N 2 2 309.801 1.331 10 0 DDAELP NNc1[nH+]cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1Cl ZINC000094444648 193369448 /nfs/dbraw/zinc/36/94/48/193369448.db2.gz OZTWFZQDZLOQOO-NSHDSACASA-N 2 2 309.801 1.331 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000105897451 194161848 /nfs/dbraw/zinc/16/18/48/194161848.db2.gz UNAVWFKLJOZHQK-ZDUSSCGKSA-N 2 2 304.394 1.231 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000105897451 194161851 /nfs/dbraw/zinc/16/18/51/194161851.db2.gz UNAVWFKLJOZHQK-ZDUSSCGKSA-N 2 2 304.394 1.231 10 0 DDAELP C[C@H](C(N)=S)[NH+]1CCN(c2cn[nH+]c3ccccc32)CC1 ZINC000110548482 194337969 /nfs/dbraw/zinc/33/79/69/194337969.db2.gz RQSMBICZTYTZCG-LLVKDONJSA-N 2 2 301.419 1.426 10 0 DDAELP CCC[NH2+][C@H](CCN(CCC)CC[NH+](C)C)C(=O)OCC ZINC000062527907 184241782 /nfs/dbraw/zinc/24/17/82/184241782.db2.gz ZMYFYCPOGUAXNV-OAHLLOKOSA-N 2 2 301.475 1.581 10 0 DDAELP COc1ccc(C2CC[NH+](Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000261701672 407584813 /nfs/dbraw/zinc/58/48/13/407584813.db2.gz JTEBTZFRHCJQLP-UHFFFAOYSA-N 2 2 302.378 1.917 10 0 DDAELP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)CCCOC)C12CCOCC2 ZINC000186358652 407647733 /nfs/dbraw/zinc/64/77/33/407647733.db2.gz DPYQTIFZBRLVFI-HOTGVXAUSA-N 2 2 314.470 1.519 10 0 DDAELP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)CCCOC)C12CCOCC2 ZINC000186358652 407647739 /nfs/dbraw/zinc/64/77/39/407647739.db2.gz DPYQTIFZBRLVFI-HOTGVXAUSA-N 2 2 314.470 1.519 10 0 DDAELP Cc1ccn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261915757 407669171 /nfs/dbraw/zinc/66/91/71/407669171.db2.gz JPAGLCZDCQJDQE-ZACQAIPSSA-N 2 2 314.433 1.889 10 0 DDAELP c1cn2c(cccc2C[NH2+][C@@H]2CCCN(c3cccnn3)C2)[nH+]1 ZINC000179036596 407699647 /nfs/dbraw/zinc/69/96/47/407699647.db2.gz KPLBFVNTUAFVOB-CQSZACIVSA-N 2 2 308.389 1.883 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175470288 408140376 /nfs/dbraw/zinc/14/03/76/408140376.db2.gz HIKMLILJAIIBPE-AWEZNQCLSA-N 2 2 323.441 1.011 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000246414439 408249756 /nfs/dbraw/zinc/24/97/56/408249756.db2.gz BTJQVQQFAXYRNT-KFWWJZLASA-N 2 2 302.422 1.531 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000246414439 408249761 /nfs/dbraw/zinc/24/97/61/408249761.db2.gz BTJQVQQFAXYRNT-KFWWJZLASA-N 2 2 302.422 1.531 10 0 DDAELP CC[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@@H+]1C[C@@H](C)O ZINC000190523390 408269153 /nfs/dbraw/zinc/26/91/53/408269153.db2.gz OSUOTQIKAPQQSQ-ZIAGYGMSSA-N 2 2 323.437 1.376 10 0 DDAELP CC[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@H+]1C[C@@H](C)O ZINC000190523390 408269158 /nfs/dbraw/zinc/26/91/58/408269158.db2.gz OSUOTQIKAPQQSQ-ZIAGYGMSSA-N 2 2 323.437 1.376 10 0 DDAELP C[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246914102 408368558 /nfs/dbraw/zinc/36/85/58/408368558.db2.gz PUSRETAXZCPVKI-FUHWJXTLSA-N 2 2 304.434 1.548 10 0 DDAELP C[C@@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246914102 408368563 /nfs/dbraw/zinc/36/85/63/408368563.db2.gz PUSRETAXZCPVKI-FUHWJXTLSA-N 2 2 304.434 1.548 10 0 DDAELP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000247779599 408508993 /nfs/dbraw/zinc/50/89/93/408508993.db2.gz ROYVXIVSMORBNO-HUUCEWRRSA-N 2 2 301.394 1.073 10 0 DDAELP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000247779599 408508996 /nfs/dbraw/zinc/50/89/96/408508996.db2.gz ROYVXIVSMORBNO-HUUCEWRRSA-N 2 2 301.394 1.073 10 0 DDAELP CC[NH+](CC)CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000180960530 162773729 /nfs/dbraw/zinc/77/37/29/162773729.db2.gz DZLNZGWDEFMOTD-AWEZNQCLSA-N 2 2 307.442 1.582 10 0 DDAELP CC[NH+](CC)CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000180960530 162773731 /nfs/dbraw/zinc/77/37/31/162773731.db2.gz DZLNZGWDEFMOTD-AWEZNQCLSA-N 2 2 307.442 1.582 10 0 DDAELP CC[N@@H+]1CCC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302872723 410880831 /nfs/dbraw/zinc/88/08/31/410880831.db2.gz CDNVXSFUDWDPAX-ZDUSSCGKSA-N 2 2 307.467 1.926 10 0 DDAELP CC[N@H+]1CCC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302872723 410880838 /nfs/dbraw/zinc/88/08/38/410880838.db2.gz CDNVXSFUDWDPAX-ZDUSSCGKSA-N 2 2 307.467 1.926 10 0 DDAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000382271483 483961254 /nfs/dbraw/zinc/96/12/54/483961254.db2.gz BRTSOUZAVZMEHD-WDEREUQCSA-N 2 2 306.859 1.991 10 0 DDAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000382271483 483961264 /nfs/dbraw/zinc/96/12/64/483961264.db2.gz BRTSOUZAVZMEHD-WDEREUQCSA-N 2 2 306.859 1.991 10 0 DDAELP Cc1ccn2cc(CN3CC4(CC[NH2+]CC4)OC3=O)[nH+]c2c1 ZINC000095502550 185374996 /nfs/dbraw/zinc/37/49/96/185374996.db2.gz LOCNBCUDGAHPEN-UHFFFAOYSA-N 2 2 300.362 1.717 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661165 282097604 /nfs/dbraw/zinc/09/76/04/282097604.db2.gz WRSCMWIWQHERFX-KGLIPLIRSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661165 282097607 /nfs/dbraw/zinc/09/76/07/282097607.db2.gz WRSCMWIWQHERFX-KGLIPLIRSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661165 282097608 /nfs/dbraw/zinc/09/76/08/282097608.db2.gz WRSCMWIWQHERFX-KGLIPLIRSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C)C1 ZINC000248661165 282097611 /nfs/dbraw/zinc/09/76/11/282097611.db2.gz WRSCMWIWQHERFX-KGLIPLIRSA-N 2 2 324.494 1.682 10 0 DDAELP C[C@@H](c1ccc(F)cc1Cl)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000078902993 185126272 /nfs/dbraw/zinc/12/62/72/185126272.db2.gz XASCFNJUPYOIIP-NSHDSACASA-N 2 2 313.804 1.904 10 0 DDAELP C[C@@H](c1ccc(F)cc1Cl)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000078902993 185126273 /nfs/dbraw/zinc/12/62/73/185126273.db2.gz XASCFNJUPYOIIP-NSHDSACASA-N 2 2 313.804 1.904 10 0 DDAELP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928482 185237682 /nfs/dbraw/zinc/23/76/82/185237682.db2.gz CJXIHILAQQSNRQ-WCQYABFASA-N 2 2 312.797 1.880 10 0 DDAELP C[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000090438663 185296600 /nfs/dbraw/zinc/29/66/00/185296600.db2.gz UOLCWPNBFIHRNT-DZGCQCFKSA-N 2 2 309.841 1.696 10 0 DDAELP CC(C)(C)OC(=O)N1CC(c2c[nH+]c3n2CCC3)=C[C@@H]([NH3+])C1 ZINC000675077606 539562927 /nfs/dbraw/zinc/56/29/27/539562927.db2.gz GKWZAQGZHKZNGR-GFCCVEGCSA-N 2 2 304.394 1.791 10 0 DDAELP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000072129267 191043630 /nfs/dbraw/zinc/04/36/30/191043630.db2.gz JLGJVGLULIOZDU-MRXNPFEDSA-N 2 2 310.442 1.646 10 0 DDAELP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000072129267 191043633 /nfs/dbraw/zinc/04/36/33/191043633.db2.gz JLGJVGLULIOZDU-MRXNPFEDSA-N 2 2 310.442 1.646 10 0 DDAELP Cc1cc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC3CC3)C2)cc[nH+]1 ZINC000328654756 354560156 /nfs/dbraw/zinc/56/01/56/354560156.db2.gz XUEVRKVDFATANV-INIZCTEOSA-N 2 2 318.421 1.386 10 0 DDAELP Cc1cc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC3CC3)C2)cc[nH+]1 ZINC000328654756 354560159 /nfs/dbraw/zinc/56/01/59/354560159.db2.gz XUEVRKVDFATANV-INIZCTEOSA-N 2 2 318.421 1.386 10 0 DDAELP O[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C[N@@H+]1CCc2ccccc2C1 ZINC000194202672 201197792 /nfs/dbraw/zinc/19/77/92/201197792.db2.gz OOOJDDPWVAQVBE-ROUUACIJSA-N 2 2 302.418 1.688 10 0 DDAELP O[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C[N@H+]1CCc2ccccc2C1 ZINC000194202672 201197794 /nfs/dbraw/zinc/19/77/94/201197794.db2.gz OOOJDDPWVAQVBE-ROUUACIJSA-N 2 2 302.418 1.688 10 0 DDAELP C[NH2+][C@@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCC(C)CC1 ZINC000091649236 193085374 /nfs/dbraw/zinc/08/53/74/193085374.db2.gz JFGSRAILTGXYFE-SLTAFYQDSA-N 2 2 304.500 1.910 10 0 DDAELP C[N@@H+]1CCO[C@H](COc2ccc(Br)cc2C[NH3+])C1 ZINC000092053991 193149443 /nfs/dbraw/zinc/14/94/43/193149443.db2.gz OMLTVWZAFYVZIE-LBPRGKRZSA-N 2 2 315.211 1.617 10 0 DDAELP C[N@H+]1CCO[C@H](COc2ccc(Br)cc2C[NH3+])C1 ZINC000092053991 193149445 /nfs/dbraw/zinc/14/94/45/193149445.db2.gz OMLTVWZAFYVZIE-LBPRGKRZSA-N 2 2 315.211 1.617 10 0 DDAELP CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000275269335 212237417 /nfs/dbraw/zinc/23/74/17/212237417.db2.gz JCJWMDYANFJTAN-UONOGXRCSA-N 2 2 305.382 1.735 10 0 DDAELP CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000275269335 212237419 /nfs/dbraw/zinc/23/74/19/212237419.db2.gz JCJWMDYANFJTAN-UONOGXRCSA-N 2 2 305.382 1.735 10 0 DDAELP CC[N@@H+]1CCO[C@@H](c2noc(-c3csc([C@@H](C)[NH3+])n3)n2)C1 ZINC000093897181 193325499 /nfs/dbraw/zinc/32/54/99/193325499.db2.gz UCGVHBHQQURLHJ-PSASIEDQSA-N 2 2 309.395 1.606 10 0 DDAELP CC[N@H+]1CCO[C@@H](c2noc(-c3csc([C@@H](C)[NH3+])n3)n2)C1 ZINC000093897181 193325500 /nfs/dbraw/zinc/32/55/00/193325500.db2.gz UCGVHBHQQURLHJ-PSASIEDQSA-N 2 2 309.395 1.606 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093913760 193327255 /nfs/dbraw/zinc/32/72/55/193327255.db2.gz INRSKHNWJLYGLJ-ZWNOBZJWSA-N 2 2 300.834 1.226 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093913760 193327256 /nfs/dbraw/zinc/32/72/56/193327256.db2.gz INRSKHNWJLYGLJ-ZWNOBZJWSA-N 2 2 300.834 1.226 10 0 DDAELP O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440159 193370213 /nfs/dbraw/zinc/37/02/13/193370213.db2.gz FXIUIVUJBLHVFN-LSDHHAIUSA-N 2 2 315.483 1.019 10 0 DDAELP O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094440159 193370215 /nfs/dbraw/zinc/37/02/15/193370215.db2.gz FXIUIVUJBLHVFN-LSDHHAIUSA-N 2 2 315.483 1.019 10 0 DDAELP CCC[N@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CCN(C)C ZINC000041675164 183215448 /nfs/dbraw/zinc/21/54/48/183215448.db2.gz ZGUAWHVOQLBRHN-MRXNPFEDSA-N 2 2 301.475 1.581 10 0 DDAELP CCC[N@@H+](CCCC[C@@](C)([NH2+]C)C(=O)OC)CCN(C)C ZINC000041675164 183215451 /nfs/dbraw/zinc/21/54/51/183215451.db2.gz ZGUAWHVOQLBRHN-MRXNPFEDSA-N 2 2 301.475 1.581 10 0 DDAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000042778741 183307793 /nfs/dbraw/zinc/30/77/93/183307793.db2.gz AEEUOPFLEXDDGD-LBPRGKRZSA-N 2 2 307.360 1.614 10 0 DDAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000042778741 183307795 /nfs/dbraw/zinc/30/77/95/183307795.db2.gz AEEUOPFLEXDDGD-LBPRGKRZSA-N 2 2 307.360 1.614 10 0 DDAELP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)N1CC[NH+]1CCCC1 ZINC000248012172 257111822 /nfs/dbraw/zinc/11/18/22/257111822.db2.gz WACRTWQNVPOYSJ-UONOGXRCSA-N 2 2 320.462 1.414 10 0 DDAELP O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)N1CC[NH+]1CCCC1 ZINC000248012172 257111823 /nfs/dbraw/zinc/11/18/23/257111823.db2.gz WACRTWQNVPOYSJ-UONOGXRCSA-N 2 2 320.462 1.414 10 0 DDAELP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2nccs2)[C@H]2CCCO[C@@H]12 ZINC000247956779 257112710 /nfs/dbraw/zinc/11/27/10/257112710.db2.gz CZMFGTXRMREGJX-GZBFAFLISA-N 2 2 311.451 1.453 10 0 DDAELP C[NH+](C)CCO[C@@H]1C[N@@H+](Cc2nccs2)[C@H]2CCCO[C@@H]12 ZINC000247956779 257112712 /nfs/dbraw/zinc/11/27/12/257112712.db2.gz CZMFGTXRMREGJX-GZBFAFLISA-N 2 2 311.451 1.453 10 0 DDAELP O[C@H](C[NH2+]CC1=Cc2ccccc2OC1)C[NH+]1CCCCC1 ZINC000171050913 407582190 /nfs/dbraw/zinc/58/21/90/407582190.db2.gz NTYHGKDPHPEXNV-QGZVFWFLSA-N 2 2 302.418 1.899 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cncn2C)nc[nH+]1 ZINC000171627075 407723990 /nfs/dbraw/zinc/72/39/90/407723990.db2.gz JVDPXYMOBDMFRC-GFCCVEGCSA-N 2 2 301.398 1.010 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@@H+]1C1CC1 ZINC000245730853 408052796 /nfs/dbraw/zinc/05/27/96/408052796.db2.gz JJZXEUBZGDDJMF-ILXRZTDVSA-N 2 2 301.438 1.660 10 0 DDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C[N@H+]1C1CC1 ZINC000245730853 408052804 /nfs/dbraw/zinc/05/28/04/408052804.db2.gz JJZXEUBZGDDJMF-ILXRZTDVSA-N 2 2 301.438 1.660 10 0 DDAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638803879 423131775 /nfs/dbraw/zinc/13/17/75/423131775.db2.gz QJVJOAHKJSUGLZ-LSDHHAIUSA-N 2 2 323.387 1.622 10 0 DDAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638803879 423131779 /nfs/dbraw/zinc/13/17/79/423131779.db2.gz QJVJOAHKJSUGLZ-LSDHHAIUSA-N 2 2 323.387 1.622 10 0 DDAELP C[C@H](C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000261846820 222259791 /nfs/dbraw/zinc/25/97/91/222259791.db2.gz MDXUUWYPODKVPT-ZFWWWQNUSA-N 2 2 316.449 1.937 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662743679 424753556 /nfs/dbraw/zinc/75/35/56/424753556.db2.gz KVUNZTXJNIUHRU-DLBZAZTESA-N 2 2 318.465 1.046 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662743679 424753557 /nfs/dbraw/zinc/75/35/57/424753557.db2.gz KVUNZTXJNIUHRU-DLBZAZTESA-N 2 2 318.465 1.046 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283249 424773631 /nfs/dbraw/zinc/77/36/31/424773631.db2.gz JZFBWQQSJRZNFU-QXAKKESOSA-N 3 2 316.493 1.390 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283249 424773634 /nfs/dbraw/zinc/77/36/34/424773634.db2.gz JZFBWQQSJRZNFU-QXAKKESOSA-N 3 2 316.493 1.390 10 0 DDAELP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000262032231 279375631 /nfs/dbraw/zinc/37/56/31/279375631.db2.gz ODZWRRJFBBFTFR-DOTOQJQBSA-N 3 2 302.466 1.608 10 0 DDAELP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000262032231 279375632 /nfs/dbraw/zinc/37/56/32/279375632.db2.gz ODZWRRJFBBFTFR-DOTOQJQBSA-N 3 2 302.466 1.608 10 0 DDAELP O[C@@H](C[NH2+]Cc1ccc(F)nc1)C[N@@H+]1CCc2ccccc2C1 ZINC000188986653 697568472 /nfs/dbraw/zinc/56/84/72/697568472.db2.gz VBXVSWSWWFMGPQ-KRWDZBQOSA-N 2 2 315.392 1.730 10 0 DDAELP O[C@@H](C[NH2+]Cc1ccc(F)nc1)C[N@H+]1CCc2ccccc2C1 ZINC000188986653 697568475 /nfs/dbraw/zinc/56/84/75/697568475.db2.gz VBXVSWSWWFMGPQ-KRWDZBQOSA-N 2 2 315.392 1.730 10 0 DDAELP C[N@@H+]1CCO[C@@H](c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000074890056 191380096 /nfs/dbraw/zinc/38/00/96/191380096.db2.gz FAMKTTOKZUGCDO-UONOGXRCSA-N 2 2 307.419 1.291 10 0 DDAELP C[N@H+]1CCO[C@@H](c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000074890056 191380098 /nfs/dbraw/zinc/38/00/98/191380098.db2.gz FAMKTTOKZUGCDO-UONOGXRCSA-N 2 2 307.419 1.291 10 0 DDAELP CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@H+](C)CCN1C ZINC000093895492 193324994 /nfs/dbraw/zinc/32/49/94/193324994.db2.gz PPDUEHFAESEPCR-OCCSQVGLSA-N 2 2 313.877 1.148 10 0 DDAELP CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895492 193324996 /nfs/dbraw/zinc/32/49/96/193324996.db2.gz PPDUEHFAESEPCR-OCCSQVGLSA-N 2 2 313.877 1.148 10 0 DDAELP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927002 193329335 /nfs/dbraw/zinc/32/93/35/193329335.db2.gz QAGNVLXQAVITRA-GXTWGEPZSA-N 2 2 314.861 1.622 10 0 DDAELP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927002 193329337 /nfs/dbraw/zinc/32/93/37/193329337.db2.gz QAGNVLXQAVITRA-GXTWGEPZSA-N 2 2 314.861 1.622 10 0 DDAELP C[C@@H]1C[N@H+](CC(=O)NC(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342232 193362350 /nfs/dbraw/zinc/36/23/50/193362350.db2.gz GEURYOZUGLPQCP-MFKMUULPSA-N 2 2 309.797 1.266 10 0 DDAELP C[C@@H]1C[N@@H+](CC(=O)NC(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342232 193362352 /nfs/dbraw/zinc/36/23/52/193362352.db2.gz GEURYOZUGLPQCP-MFKMUULPSA-N 2 2 309.797 1.266 10 0 DDAELP Cc1ccc(C)c(O[C@@H](C)C(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000066142932 184393055 /nfs/dbraw/zinc/39/30/55/184393055.db2.gz QWUIKVAMXJVADM-INIZCTEOSA-N 2 2 319.449 1.564 10 0 DDAELP CC(C)CNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863049 407356835 /nfs/dbraw/zinc/35/68/35/407356835.db2.gz RHTUTDPAGQZODY-UHFFFAOYSA-N 2 2 321.469 1.052 10 0 DDAELP CC(C)CNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863049 407356837 /nfs/dbraw/zinc/35/68/37/407356837.db2.gz RHTUTDPAGQZODY-UHFFFAOYSA-N 2 2 321.469 1.052 10 0 DDAELP NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1COc1cc[nH+]cc1 ZINC000257192402 407488068 /nfs/dbraw/zinc/48/80/68/407488068.db2.gz QOGMFSHRXMXIED-GOEBONIOSA-N 2 2 312.373 1.089 10 0 DDAELP O[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)C[NH+]1CCCCC1 ZINC000171050911 407581984 /nfs/dbraw/zinc/58/19/84/407581984.db2.gz NTYHGKDPHPEXNV-KRWDZBQOSA-N 2 2 302.418 1.899 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000261580016 407544076 /nfs/dbraw/zinc/54/40/76/407544076.db2.gz PWOWOQIJUXBUGY-AXFHLTTASA-N 2 2 313.243 1.660 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Br ZINC000261580016 407544079 /nfs/dbraw/zinc/54/40/79/407544079.db2.gz PWOWOQIJUXBUGY-AXFHLTTASA-N 2 2 313.243 1.660 10 0 DDAELP CCN(CC)c1ccc(CNC(=O)C2([NH3+])CCOCC2)c[nH+]1 ZINC000261863885 407647560 /nfs/dbraw/zinc/64/75/60/407647560.db2.gz NKAJTZSZEMDXIS-UHFFFAOYSA-N 2 2 306.410 1.052 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000261896686 407660884 /nfs/dbraw/zinc/66/08/84/407660884.db2.gz HDYRHQHBHIDXLV-BZUAXINKSA-N 2 2 304.438 1.466 10 0 DDAELP c1c(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000261896686 407660890 /nfs/dbraw/zinc/66/08/90/407660890.db2.gz HDYRHQHBHIDXLV-BZUAXINKSA-N 2 2 304.438 1.466 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261953356 407689929 /nfs/dbraw/zinc/68/99/29/407689929.db2.gz OQGNYXRRXOYQBR-XHSDSOJGSA-N 2 2 300.406 1.581 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746824 /nfs/dbraw/zinc/74/68/24/407746824.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746830 /nfs/dbraw/zinc/74/68/30/407746830.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746837 /nfs/dbraw/zinc/74/68/37/407746837.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000262133122 407749043 /nfs/dbraw/zinc/74/90/43/407749043.db2.gz YIYMFESRVVUFNE-YJBOKZPZSA-N 3 2 316.493 1.996 10 0 DDAELP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000173940719 407904445 /nfs/dbraw/zinc/90/44/45/407904445.db2.gz VUKDQKCNOKNSBM-OAHLLOKOSA-N 2 2 305.422 1.614 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000263222607 408065810 /nfs/dbraw/zinc/06/58/10/408065810.db2.gz MEROFUAHPIMZHJ-OLZOCXBDSA-N 2 2 301.381 1.318 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000246308425 408217411 /nfs/dbraw/zinc/21/74/11/408217411.db2.gz VYBBVFVAWFZELN-HZPDHXFCSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000246308425 408217418 /nfs/dbraw/zinc/21/74/18/408217418.db2.gz VYBBVFVAWFZELN-HZPDHXFCSA-N 2 2 323.437 1.212 10 0 DDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000178169925 408783652 /nfs/dbraw/zinc/78/36/52/408783652.db2.gz CKBAEKIJIOWWEG-GDBMZVCRSA-N 2 2 309.454 1.088 10 0 DDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000178169925 408783654 /nfs/dbraw/zinc/78/36/54/408783654.db2.gz CKBAEKIJIOWWEG-GDBMZVCRSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000178169925 408783658 /nfs/dbraw/zinc/78/36/58/408783658.db2.gz CKBAEKIJIOWWEG-GDBMZVCRSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000178169925 408783660 /nfs/dbraw/zinc/78/36/60/408783660.db2.gz CKBAEKIJIOWWEG-GDBMZVCRSA-N 2 2 309.454 1.088 10 0 DDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014422 163002512 /nfs/dbraw/zinc/00/25/12/163002512.db2.gz UPPMVNVYAKZIPM-CABCVRRESA-N 2 2 324.473 1.481 10 0 DDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014422 163002514 /nfs/dbraw/zinc/00/25/14/163002514.db2.gz UPPMVNVYAKZIPM-CABCVRRESA-N 2 2 324.473 1.481 10 0 DDAELP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000332780192 164058346 /nfs/dbraw/zinc/05/83/46/164058346.db2.gz SKMBJTRXGILQOS-IIAWOOMASA-N 2 2 318.421 1.727 10 0 DDAELP Cn1cc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000262143742 222273147 /nfs/dbraw/zinc/27/31/47/222273147.db2.gz QCWBYKSJCWWMTG-OAHLLOKOSA-N 2 2 314.437 1.298 10 0 DDAELP CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246628911 282003126 /nfs/dbraw/zinc/00/31/26/282003126.db2.gz NYDOBOFZJRIMPN-HUUCEWRRSA-N 2 2 319.453 1.582 10 0 DDAELP CC[N@H+]1CCC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246628911 282003130 /nfs/dbraw/zinc/00/31/30/282003130.db2.gz NYDOBOFZJRIMPN-HUUCEWRRSA-N 2 2 319.453 1.582 10 0 DDAELP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173416201 535145421 /nfs/dbraw/zinc/14/54/21/535145421.db2.gz ZOGYXJAYFTWBCN-DOTOQJQBSA-N 2 2 323.481 1.286 10 0 DDAELP CCOc1cc([C@@H](C[NH3+])[NH2+]CCCO)ccc1OC(F)F ZINC000087929815 185237568 /nfs/dbraw/zinc/23/75/68/185237568.db2.gz GXYOYBSTXRTTDP-LLVKDONJSA-N 2 2 304.337 1.659 10 0 DDAELP CC(C)[NH+]1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087854452 185233721 /nfs/dbraw/zinc/23/37/21/185233721.db2.gz JABJZILVXWLIGM-UHFFFAOYSA-N 2 2 315.219 1.055 10 0 DDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189556671 539253808 /nfs/dbraw/zinc/25/38/08/539253808.db2.gz SMCLVCDFQWFIET-AWEZNQCLSA-N 2 2 300.406 1.979 10 0 DDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189556671 539253809 /nfs/dbraw/zinc/25/38/09/539253809.db2.gz SMCLVCDFQWFIET-AWEZNQCLSA-N 2 2 300.406 1.979 10 0 DDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189556671 539253810 /nfs/dbraw/zinc/25/38/10/539253810.db2.gz SMCLVCDFQWFIET-AWEZNQCLSA-N 2 2 300.406 1.979 10 0 DDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189556671 539253811 /nfs/dbraw/zinc/25/38/11/539253811.db2.gz SMCLVCDFQWFIET-AWEZNQCLSA-N 2 2 300.406 1.979 10 0 DDAELP CN(C[C@@H]1CCC[N@@H+]1C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000092665032 185332345 /nfs/dbraw/zinc/33/23/45/185332345.db2.gz CQTJYGBDNMDRFW-JTQLQIEISA-N 2 2 307.789 1.241 10 0 DDAELP CN(C[C@@H]1CCC[N@H+]1C)c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000092665032 185332346 /nfs/dbraw/zinc/33/23/46/185332346.db2.gz CQTJYGBDNMDRFW-JTQLQIEISA-N 2 2 307.789 1.241 10 0 DDAELP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262574488 203335432 /nfs/dbraw/zinc/33/54/32/203335432.db2.gz ZQWJKJCXZYHUPK-FZMZJTMJSA-N 2 2 300.362 1.492 10 0 DDAELP Cc1ccccc1[C@H](NC(=O)CC[NH+](C)C)c1[nH+]ccn1C ZINC000041536416 183199512 /nfs/dbraw/zinc/19/95/12/183199512.db2.gz RJVKVYRXHHBPIA-INIZCTEOSA-N 2 2 300.406 1.886 10 0 DDAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[NH+](CCO)CCO ZINC000042954089 183321527 /nfs/dbraw/zinc/32/15/27/183321527.db2.gz YAPDWFFQGHYVQM-MFKMUULPSA-N 2 2 317.227 1.124 10 0 DDAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000105862594 194149331 /nfs/dbraw/zinc/14/93/31/194149331.db2.gz ZVKOIJMTYLBQFJ-ZDUSSCGKSA-N 2 2 324.469 1.892 10 0 DDAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000105862594 194149332 /nfs/dbraw/zinc/14/93/32/194149332.db2.gz ZVKOIJMTYLBQFJ-ZDUSSCGKSA-N 2 2 324.469 1.892 10 0 DDAELP C[N@@H+]1CCC[C@H](CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061540804 184173689 /nfs/dbraw/zinc/17/36/89/184173689.db2.gz LRRQYYDPNRDBID-SNVBAGLBSA-N 2 2 307.789 1.464 10 0 DDAELP C[N@H+]1CCC[C@H](CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061540804 184173690 /nfs/dbraw/zinc/17/36/90/184173690.db2.gz LRRQYYDPNRDBID-SNVBAGLBSA-N 2 2 307.789 1.464 10 0 DDAELP c1cncc(C[N@@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000253602097 257104989 /nfs/dbraw/zinc/10/49/89/257104989.db2.gz HUVPASFXCSKAOZ-AEFFLSMTSA-N 2 2 317.433 1.393 10 0 DDAELP c1cncc(C[N@H+]2CCO[C@H]3C[NH+](C4CCOCC4)C[C@H]3C2)c1 ZINC000253602097 257104991 /nfs/dbraw/zinc/10/49/91/257104991.db2.gz HUVPASFXCSKAOZ-AEFFLSMTSA-N 2 2 317.433 1.393 10 0 DDAELP c1cncc(C[NH+]2CCO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000253602097 257104992 /nfs/dbraw/zinc/10/49/92/257104992.db2.gz HUVPASFXCSKAOZ-AEFFLSMTSA-N 2 2 317.433 1.393 10 0 DDAELP c1cncc(C[NH+]2CCO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3C2)c1 ZINC000253602097 257104993 /nfs/dbraw/zinc/10/49/93/257104993.db2.gz HUVPASFXCSKAOZ-AEFFLSMTSA-N 2 2 317.433 1.393 10 0 DDAELP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000044277038 407021730 /nfs/dbraw/zinc/02/17/30/407021730.db2.gz ZQUGTGNNZUWYAL-CQSZACIVSA-N 2 2 320.437 1.590 10 0 DDAELP CC(C)OC[C@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903285 407357685 /nfs/dbraw/zinc/35/76/85/407357685.db2.gz UHWMVYGYFYUHSA-QGZVFWFLSA-N 2 2 324.469 1.065 10 0 DDAELP CC(C)OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903285 407357686 /nfs/dbraw/zinc/35/76/86/407357686.db2.gz UHWMVYGYFYUHSA-QGZVFWFLSA-N 2 2 324.469 1.065 10 0 DDAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1([NH3+])CCOCC1)C2 ZINC000261804951 407623617 /nfs/dbraw/zinc/62/36/17/407623617.db2.gz JDAYFMRUSGBXGX-GFCCVEGCSA-N 2 2 320.437 1.120 10 0 DDAELP C[N@H+](Cc1noc(C[NH3+])n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000262233938 407772483 /nfs/dbraw/zinc/77/24/83/407772483.db2.gz OETVQXCYNNPUPN-AWEZNQCLSA-N 2 2 301.394 1.629 10 0 DDAELP C[N@@H+](Cc1noc(C[NH3+])n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000262233938 407772488 /nfs/dbraw/zinc/77/24/88/407772488.db2.gz OETVQXCYNNPUPN-AWEZNQCLSA-N 2 2 301.394 1.629 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000262540387 407861729 /nfs/dbraw/zinc/86/17/29/407861729.db2.gz QZBRCGCOEVNVQY-RAIGVLPGSA-N 2 2 303.362 1.023 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000262540387 407861733 /nfs/dbraw/zinc/86/17/33/407861733.db2.gz QZBRCGCOEVNVQY-RAIGVLPGSA-N 2 2 303.362 1.023 10 0 DDAELP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172746590 407849525 /nfs/dbraw/zinc/84/95/25/407849525.db2.gz FPYDLTORXWCFBS-SJORKVTESA-N 2 2 317.433 1.222 10 0 DDAELP C[C@@H]1CCCN(c2cc(NCC[N@@H+]3CCCOCC3)nc[nH+]2)C1 ZINC000188501101 407950833 /nfs/dbraw/zinc/95/08/33/407950833.db2.gz QVPDEHAFUROLLK-OAHLLOKOSA-N 2 2 319.453 1.847 10 0 DDAELP C[C@@H]1CCCN(c2cc(NCC[N@H+]3CCCOCC3)nc[nH+]2)C1 ZINC000188501101 407950838 /nfs/dbraw/zinc/95/08/38/407950838.db2.gz QVPDEHAFUROLLK-OAHLLOKOSA-N 2 2 319.453 1.847 10 0 DDAELP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177588226 408663659 /nfs/dbraw/zinc/66/36/59/408663659.db2.gz NNDLRJRLGBSLBK-OAHLLOKOSA-N 2 2 307.442 1.789 10 0 DDAELP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177588226 408663666 /nfs/dbraw/zinc/66/36/66/408663666.db2.gz NNDLRJRLGBSLBK-OAHLLOKOSA-N 2 2 307.442 1.789 10 0 DDAELP Cc1noc([C@H](C)N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162972090 408747729 /nfs/dbraw/zinc/74/77/29/408747729.db2.gz MIFJJAIHCMQQJE-ZFWWWQNUSA-N 2 2 307.442 1.541 10 0 DDAELP Cc1noc([C@H](C)N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000162972090 408747735 /nfs/dbraw/zinc/74/77/35/408747735.db2.gz MIFJJAIHCMQQJE-ZFWWWQNUSA-N 2 2 307.442 1.541 10 0 DDAELP Cn1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nnc1C1CC1 ZINC000195431610 163321634 /nfs/dbraw/zinc/32/16/34/163321634.db2.gz SZFPAICLCIGHFS-UHFFFAOYSA-N 2 2 319.453 1.237 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261615013 484252348 /nfs/dbraw/zinc/25/23/48/484252348.db2.gz ACXDAISGEMPGIW-UKRRQHHQSA-N 2 2 302.422 1.542 10 0 DDAELP C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088543118 185256047 /nfs/dbraw/zinc/25/60/47/185256047.db2.gz FXCYICVWRXWQMA-LLVKDONJSA-N 2 2 315.439 1.150 10 0 DDAELP C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088543118 185256048 /nfs/dbraw/zinc/25/60/48/185256048.db2.gz FXCYICVWRXWQMA-LLVKDONJSA-N 2 2 315.439 1.150 10 0 DDAELP Brc1ccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000090306602 185290172 /nfs/dbraw/zinc/29/01/72/185290172.db2.gz FLULBFAUDQQOKG-UHFFFAOYSA-N 2 2 310.239 1.539 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000092713926 185335982 /nfs/dbraw/zinc/33/59/82/185335982.db2.gz SVQOJGNERQVQBN-PWSUYJOCSA-N 2 2 307.360 1.647 10 0 DDAELP C[N@@H+]1CCO[C@H](CN(CC(N)=O)Cc2c[nH+]c3ccccn23)C1 ZINC000328650285 354559295 /nfs/dbraw/zinc/55/92/95/354559295.db2.gz VNMJGTUYUFYJAZ-AWEZNQCLSA-N 2 2 317.393 1.002 10 0 DDAELP C[N@H+]1CCO[C@H](CN(CC(N)=O)Cc2c[nH+]c3ccccn23)C1 ZINC000328650285 354559297 /nfs/dbraw/zinc/55/92/97/354559297.db2.gz VNMJGTUYUFYJAZ-AWEZNQCLSA-N 2 2 317.393 1.002 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000093922855 193328761 /nfs/dbraw/zinc/32/87/61/193328761.db2.gz WMBUOVQVLATOOR-VXGBXAGGSA-N 2 2 312.439 1.099 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000093922855 193328762 /nfs/dbraw/zinc/32/87/62/193328762.db2.gz WMBUOVQVLATOOR-VXGBXAGGSA-N 2 2 312.439 1.099 10 0 DDAELP [NH3+]Cc1cccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094439525 193370467 /nfs/dbraw/zinc/37/04/67/193370467.db2.gz CLSMBDPYKJILON-CQSZACIVSA-N 2 2 309.435 1.004 10 0 DDAELP [NH3+]Cc1cccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000094439525 193370468 /nfs/dbraw/zinc/37/04/68/193370468.db2.gz CLSMBDPYKJILON-CQSZACIVSA-N 2 2 309.435 1.004 10 0 DDAELP [NH3+][C@H]([C@@H]1CCOC2(CCSCC2)C1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508618 193375744 /nfs/dbraw/zinc/37/57/44/193375744.db2.gz DLPNZLWSYCAMMQ-QLFBSQMISA-N 2 2 311.495 1.006 10 0 DDAELP CCNC(=S)NC(=[NH2+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000017031245 182069166 /nfs/dbraw/zinc/06/91/66/182069166.db2.gz FJZJWIJZJKSXQY-UHFFFAOYSA-N 2 2 305.451 1.223 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(NNc3ccccc3)c2N)CC1 ZINC000040756830 183129378 /nfs/dbraw/zinc/12/93/78/183129378.db2.gz PEKYTGMWLQOLNF-UHFFFAOYSA-N 2 2 314.397 1.072 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000105897656 194162736 /nfs/dbraw/zinc/16/27/36/194162736.db2.gz WAVPYWVYKODXIX-OAHLLOKOSA-N 2 2 304.438 1.951 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000105897656 194162739 /nfs/dbraw/zinc/16/27/39/194162739.db2.gz WAVPYWVYKODXIX-OAHLLOKOSA-N 2 2 304.438 1.951 10 0 DDAELP CC[C@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000105912697 194168225 /nfs/dbraw/zinc/16/82/25/194168225.db2.gz JYGBOGWCOXACFN-WBVHZDCISA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000105912697 194168226 /nfs/dbraw/zinc/16/82/26/194168226.db2.gz JYGBOGWCOXACFN-WBVHZDCISA-N 2 2 316.449 1.920 10 0 DDAELP C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000062324791 184230628 /nfs/dbraw/zinc/23/06/28/184230628.db2.gz BTAYOUJJEOYNMB-NSHDSACASA-N 2 2 308.407 1.261 10 0 DDAELP [NH3+]C1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCOCC1 ZINC000261774920 407610034 /nfs/dbraw/zinc/61/00/34/407610034.db2.gz GYIULWQYWOUUKL-UHFFFAOYSA-N 2 2 314.389 1.056 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000263145348 408038058 /nfs/dbraw/zinc/03/80/58/408038058.db2.gz CPPNHDKTHGPMHX-YOEHRIQHSA-N 3 2 323.868 1.474 10 0 DDAELP CCn1nccc1C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000119116336 407999825 /nfs/dbraw/zinc/99/98/25/407999825.db2.gz LYDNUZTWGQHYFV-CYBMUJFWSA-N 2 2 315.425 1.493 10 0 DDAELP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000263052679 408012106 /nfs/dbraw/zinc/01/21/06/408012106.db2.gz USGZGZDSMIMJDN-GHMZBOCLSA-N 2 2 303.378 1.464 10 0 DDAELP CC[C@H]1CN(CCCCn2cc[nH+]c2C)CC[N@@H+]1C[C@H](C)O ZINC000245573805 408017524 /nfs/dbraw/zinc/01/75/24/408017524.db2.gz AHLZGPZLIJIJOR-RDJZCZTQSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@H]1CN(CCCCn2cc[nH+]c2C)CC[N@H+]1C[C@H](C)O ZINC000245573805 408017531 /nfs/dbraw/zinc/01/75/31/408017531.db2.gz AHLZGPZLIJIJOR-RDJZCZTQSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1C[C@H](C)O ZINC000245573805 408017538 /nfs/dbraw/zinc/01/75/38/408017538.db2.gz AHLZGPZLIJIJOR-RDJZCZTQSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1C[C@H](C)O ZINC000245573805 408017542 /nfs/dbraw/zinc/01/75/42/408017542.db2.gz AHLZGPZLIJIJOR-RDJZCZTQSA-N 2 2 308.470 1.749 10 0 DDAELP COc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263267986 408081625 /nfs/dbraw/zinc/08/16/25/408081625.db2.gz RVQPMTBICRTESU-PWSUYJOCSA-N 2 2 315.211 1.128 10 0 DDAELP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cs2)cc1 ZINC000263271516 408085565 /nfs/dbraw/zinc/08/55/65/408085565.db2.gz SGMMFGBKHWGZDK-HIFRSBDPSA-N 2 2 303.431 1.788 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263278520 408088327 /nfs/dbraw/zinc/08/83/27/408088327.db2.gz TVUVQDWFZCCRCH-QAPCUYQASA-N 3 2 321.440 1.003 10 0 DDAELP COc1c(C)c[nH+]c(CN2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1C ZINC000177277692 408570914 /nfs/dbraw/zinc/57/09/14/408570914.db2.gz RTCYJESURBQGSN-WMLDXEAASA-N 2 2 319.449 1.860 10 0 DDAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178335040 408807078 /nfs/dbraw/zinc/80/70/78/408807078.db2.gz AMNUFFVOWXGUEO-TZMCWYRMSA-N 2 2 317.393 1.980 10 0 DDAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000178335040 408807082 /nfs/dbraw/zinc/80/70/82/408807082.db2.gz AMNUFFVOWXGUEO-TZMCWYRMSA-N 2 2 317.393 1.980 10 0 DDAELP C[N@H+](CC[C@@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182275 163088242 /nfs/dbraw/zinc/08/82/42/163088242.db2.gz UGTAWFHBDACTMK-KRWDZBQOSA-N 2 2 306.454 1.848 10 0 DDAELP C[N@@H+](CC[C@@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182275 163088244 /nfs/dbraw/zinc/08/82/44/163088244.db2.gz UGTAWFHBDACTMK-KRWDZBQOSA-N 2 2 306.454 1.848 10 0 DDAELP C[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317944 163315986 /nfs/dbraw/zinc/31/59/86/163315986.db2.gz KOQVSGPBWDHGQF-IAGOWNOFSA-N 2 2 301.434 1.986 10 0 DDAELP C[NH+](C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000195317944 163315987 /nfs/dbraw/zinc/31/59/87/163315987.db2.gz KOQVSGPBWDHGQF-IAGOWNOFSA-N 2 2 301.434 1.986 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698374 424479517 /nfs/dbraw/zinc/47/95/17/424479517.db2.gz WSNMVUCFSWDNBW-OIISXLGYSA-N 2 2 301.434 1.575 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657698374 424479524 /nfs/dbraw/zinc/47/95/24/424479524.db2.gz WSNMVUCFSWDNBW-OIISXLGYSA-N 2 2 301.434 1.575 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283252 424773602 /nfs/dbraw/zinc/77/36/02/424773602.db2.gz JZFBWQQSJRZNFU-YTQUADARSA-N 3 2 316.493 1.390 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283252 424773605 /nfs/dbraw/zinc/77/36/05/424773605.db2.gz JZFBWQQSJRZNFU-YTQUADARSA-N 3 2 316.493 1.390 10 0 DDAELP Cn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000668177813 485008271 /nfs/dbraw/zinc/00/82/71/485008271.db2.gz GXTQRJMFNUIWIY-XJKSGUPXSA-N 2 2 301.394 1.600 10 0 DDAELP Cn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000668177813 485008275 /nfs/dbraw/zinc/00/82/75/485008275.db2.gz GXTQRJMFNUIWIY-XJKSGUPXSA-N 2 2 301.394 1.600 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309718160 698666775 /nfs/dbraw/zinc/66/67/75/698666775.db2.gz MSFCHYNLLDRKBJ-IXDOHACOSA-N 2 2 322.474 1.531 10 0 DDAELP CS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309718160 698666777 /nfs/dbraw/zinc/66/67/77/698666777.db2.gz MSFCHYNLLDRKBJ-IXDOHACOSA-N 2 2 322.474 1.531 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000090327052 185291323 /nfs/dbraw/zinc/29/13/23/185291323.db2.gz YIMKZKJOXMAABW-UXIGCNINSA-N 2 2 307.825 1.496 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000090327052 185291324 /nfs/dbraw/zinc/29/13/24/185291324.db2.gz YIMKZKJOXMAABW-UXIGCNINSA-N 2 2 307.825 1.496 10 0 DDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000158661284 354231040 /nfs/dbraw/zinc/23/10/40/354231040.db2.gz CCXZRAUGTGHUNB-ZBFHGGJFSA-N 2 2 318.421 1.729 10 0 DDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000158661284 354231042 /nfs/dbraw/zinc/23/10/42/354231042.db2.gz CCXZRAUGTGHUNB-ZBFHGGJFSA-N 2 2 318.421 1.729 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000246528519 354360259 /nfs/dbraw/zinc/36/02/59/354360259.db2.gz RSWJEAGFAFKMOV-RHSMWYFYSA-N 2 2 317.433 1.053 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000246528519 354360261 /nfs/dbraw/zinc/36/02/61/354360261.db2.gz RSWJEAGFAFKMOV-RHSMWYFYSA-N 2 2 317.433 1.053 10 0 DDAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000237892498 202382157 /nfs/dbraw/zinc/38/21/57/202382157.db2.gz LIRAYHFDYHIDFN-JKSUJKDBSA-N 2 2 302.422 1.243 10 0 DDAELP C[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+](C)C)CCC(C)CC1 ZINC000091649235 193084665 /nfs/dbraw/zinc/08/46/65/193084665.db2.gz JFGSRAILTGXYFE-SHARSMKWSA-N 2 2 304.500 1.910 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])C[NH+](C)C)c1Br ZINC000091719612 193096658 /nfs/dbraw/zinc/09/66/58/193096658.db2.gz HVBYVDGNGDLKLT-VIFPVBQESA-N 2 2 303.248 1.659 10 0 DDAELP CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[NH+](CCO)CC1 ZINC000043252741 183346616 /nfs/dbraw/zinc/34/66/16/183346616.db2.gz QWQORGXUZAJWAA-SMDDNHRTSA-N 2 2 317.886 1.790 10 0 DDAELP COCC[N@@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C[C@H]1C ZINC000105913630 194168824 /nfs/dbraw/zinc/16/88/24/194168824.db2.gz FFOHZWKCHJAYFN-OAHLLOKOSA-N 2 2 302.422 1.795 10 0 DDAELP COCC[N@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)C[C@H]1C ZINC000105913630 194168826 /nfs/dbraw/zinc/16/88/26/194168826.db2.gz FFOHZWKCHJAYFN-OAHLLOKOSA-N 2 2 302.422 1.795 10 0 DDAELP [NH3+]C[C@@H](c1ccc(Cl)s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977902 184264394 /nfs/dbraw/zinc/26/43/94/184264394.db2.gz MYEPGXDKRLNSEH-RYUDHWBXSA-N 2 2 315.870 1.808 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122668353 407307714 /nfs/dbraw/zinc/30/77/14/407307714.db2.gz DVVPKSVEKGRKMO-MRXNPFEDSA-N 2 2 303.410 1.569 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000122668353 407307715 /nfs/dbraw/zinc/30/77/15/407307715.db2.gz DVVPKSVEKGRKMO-MRXNPFEDSA-N 2 2 303.410 1.569 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@H]1[NH3+] ZINC000262002404 407706465 /nfs/dbraw/zinc/70/64/65/407706465.db2.gz LKEHOUKDGMGQJY-XJKSGUPXSA-N 2 2 317.433 1.371 10 0 DDAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@H]1[NH3+] ZINC000262002404 407706471 /nfs/dbraw/zinc/70/64/71/407706471.db2.gz LKEHOUKDGMGQJY-XJKSGUPXSA-N 2 2 317.433 1.371 10 0 DDAELP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262977104 407991677 /nfs/dbraw/zinc/99/16/77/407991677.db2.gz MKAGRFKXCKLBLN-KGLIPLIRSA-N 2 2 309.360 1.374 10 0 DDAELP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262977104 407991678 /nfs/dbraw/zinc/99/16/78/407991678.db2.gz MKAGRFKXCKLBLN-KGLIPLIRSA-N 2 2 309.360 1.374 10 0 DDAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)c1 ZINC000263022807 408004152 /nfs/dbraw/zinc/00/41/52/408004152.db2.gz QZXGFEFWOIMALU-HNNXBMFYSA-N 2 2 323.387 1.636 10 0 DDAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000263084308 408021682 /nfs/dbraw/zinc/02/16/82/408021682.db2.gz XTMRIGCKLZASJH-SNPRPXQTSA-N 2 2 323.387 1.763 10 0 DDAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000263084308 408021687 /nfs/dbraw/zinc/02/16/87/408021687.db2.gz XTMRIGCKLZASJH-SNPRPXQTSA-N 2 2 323.387 1.763 10 0 DDAELP CC[N@H+](C)[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263207344 408059028 /nfs/dbraw/zinc/05/90/28/408059028.db2.gz JWZKDLKRAXHRJB-LSDHHAIUSA-N 2 2 315.421 1.687 10 0 DDAELP CC[N@@H+](C)[C@@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263207344 408059031 /nfs/dbraw/zinc/05/90/31/408059031.db2.gz JWZKDLKRAXHRJB-LSDHHAIUSA-N 2 2 315.421 1.687 10 0 DDAELP CC(C)[NH+]1CCC([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263488733 408153271 /nfs/dbraw/zinc/15/32/71/408153271.db2.gz IAMLKOLGFQPYIZ-UHFFFAOYSA-N 2 2 323.481 1.776 10 0 DDAELP CC(C)[NH+]1CCC([NH2+]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263488733 408153280 /nfs/dbraw/zinc/15/32/80/408153280.db2.gz IAMLKOLGFQPYIZ-UHFFFAOYSA-N 2 2 323.481 1.776 10 0 DDAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404281 408254665 /nfs/dbraw/zinc/25/46/65/408254665.db2.gz LQVYUAYKHJDLQV-BBRMVZONSA-N 2 2 303.406 1.982 10 0 DDAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404281 408254671 /nfs/dbraw/zinc/25/46/71/408254671.db2.gz LQVYUAYKHJDLQV-BBRMVZONSA-N 2 2 303.406 1.982 10 0 DDAELP CC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589678 162228443 /nfs/dbraw/zinc/22/84/43/162228443.db2.gz QRBUKWFXOILHKQ-OAHLLOKOSA-N 2 2 321.469 1.194 10 0 DDAELP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589678 162228444 /nfs/dbraw/zinc/22/84/44/162228444.db2.gz QRBUKWFXOILHKQ-OAHLLOKOSA-N 2 2 321.469 1.194 10 0 DDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000177039376 408503373 /nfs/dbraw/zinc/50/33/73/408503373.db2.gz XFONRDAQQSMBOH-HNNXBMFYSA-N 2 2 313.405 1.824 10 0 DDAELP O=c1[nH]ccnc1N1CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000275390343 408586760 /nfs/dbraw/zinc/58/67/60/408586760.db2.gz BVKWEWZQCIRZRC-ZDUSSCGKSA-N 2 2 324.388 1.589 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nnnn1C1CC1 ZINC000192058477 408537177 /nfs/dbraw/zinc/53/71/77/408537177.db2.gz SJOURSAZFPQKLH-FZMZJTMJSA-N 2 2 301.398 1.739 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnnn1C1CC1 ZINC000192058477 408537183 /nfs/dbraw/zinc/53/71/83/408537183.db2.gz SJOURSAZFPQKLH-FZMZJTMJSA-N 2 2 301.398 1.739 10 0 DDAELP CCc1nnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1C ZINC000195516046 163327222 /nfs/dbraw/zinc/32/72/22/163327222.db2.gz UDCRCORVTOACLQ-ZDUSSCGKSA-N 2 2 300.410 1.707 10 0 DDAELP CCc1nnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1C ZINC000195516046 163327223 /nfs/dbraw/zinc/32/72/23/163327223.db2.gz UDCRCORVTOACLQ-ZDUSSCGKSA-N 2 2 300.410 1.707 10 0 DDAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000089455458 484010450 /nfs/dbraw/zinc/01/04/50/484010450.db2.gz UUPCWSPAMFYWCC-HIFRSBDPSA-N 2 2 307.463 1.767 10 0 DDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2CC)[C@H](C)C1 ZINC000253295747 282214300 /nfs/dbraw/zinc/21/43/00/282214300.db2.gz HEGARLXHEBYOQS-ZBFHGGJFSA-N 2 2 323.485 1.833 10 0 DDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2CC)[C@H](C)C1 ZINC000253295747 282214303 /nfs/dbraw/zinc/21/43/03/282214303.db2.gz HEGARLXHEBYOQS-ZBFHGGJFSA-N 2 2 323.485 1.833 10 0 DDAELP Cc1csc2nc(C[N@H+]3C[C@@H]4C[NH2+]C[C@@H]4[C@@H]3C)cc(=O)n12 ZINC000090328027 185291242 /nfs/dbraw/zinc/29/12/42/185291242.db2.gz QBSVEVIYAVTYGL-GMXVVIOVSA-N 2 2 304.419 1.104 10 0 DDAELP Cc1csc2nc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@@H]4[C@@H]3C)cc(=O)n12 ZINC000090328027 185291243 /nfs/dbraw/zinc/29/12/43/185291243.db2.gz QBSVEVIYAVTYGL-GMXVVIOVSA-N 2 2 304.419 1.104 10 0 DDAELP C[C@@]1(C[NH+]2CCN(c3ccccc3Cl)CC2)COC[C@@H]1[NH3+] ZINC000090606500 185306390 /nfs/dbraw/zinc/30/63/90/185306390.db2.gz YIGYIJOAGXJNKY-JKSUJKDBSA-N 2 2 309.841 1.826 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000248854008 282257504 /nfs/dbraw/zinc/25/75/04/282257504.db2.gz KLOZEWNGGMBKCN-CWRNSKLLSA-N 2 2 311.470 1.380 10 0 DDAELP Cc1c2c(ccc1Cl)[C@@H](C[NH3+])N(CC[NH+]1CCOCC1)C2 ZINC000071683569 191006421 /nfs/dbraw/zinc/00/64/21/191006421.db2.gz ISBAKUFSLXEQCW-MRXNPFEDSA-N 2 2 309.841 1.796 10 0 DDAELP CC[NH2+][C@@H](C)c1csc(N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000080831391 192193794 /nfs/dbraw/zinc/19/37/94/192193794.db2.gz KTTXMQMDCNYGOK-STQMWFEESA-N 2 2 310.467 1.725 10 0 DDAELP CC[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C[NH+](C)C ZINC000091719842 193097225 /nfs/dbraw/zinc/09/72/25/193097225.db2.gz CAIAQYYRNPABNS-JTQLQIEISA-N 2 2 303.248 1.573 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Br)s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508220 193375539 /nfs/dbraw/zinc/37/55/39/193375539.db2.gz AGDXBVIPILYDNW-QWRGUYRKSA-N 2 2 316.268 1.380 10 0 DDAELP C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000021042270 182262859 /nfs/dbraw/zinc/26/28/59/182262859.db2.gz ZMTMHKVOXBAKTM-GXTWGEPZSA-N 2 2 305.403 1.710 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000105896436 194163104 /nfs/dbraw/zinc/16/31/04/194163104.db2.gz NKXYSYRWDCYABO-AWEZNQCLSA-N 2 2 316.405 1.992 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000105896436 194163105 /nfs/dbraw/zinc/16/31/05/194163105.db2.gz NKXYSYRWDCYABO-AWEZNQCLSA-N 2 2 316.405 1.992 10 0 DDAELP CC(C)[C@H](C[NH+](C)C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061539292 184173726 /nfs/dbraw/zinc/17/37/26/184173726.db2.gz YPLPVFSEORPAFH-JTQLQIEISA-N 2 2 309.805 1.709 10 0 DDAELP CCC[C@@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)[NH+](C)C ZINC000155462180 197056482 /nfs/dbraw/zinc/05/64/82/197056482.db2.gz QJHQYQXJLYDEOV-HNNXBMFYSA-N 2 2 324.494 1.908 10 0 DDAELP CCC[C@@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[NH+](C)C ZINC000155462180 197056484 /nfs/dbraw/zinc/05/64/84/197056484.db2.gz QJHQYQXJLYDEOV-HNNXBMFYSA-N 2 2 324.494 1.908 10 0 DDAELP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000261629951 407559449 /nfs/dbraw/zinc/55/94/49/407559449.db2.gz CXVFRANSHYALTD-QEJZJMRPSA-N 2 2 314.389 1.914 10 0 DDAELP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000261629951 407559455 /nfs/dbraw/zinc/55/94/55/407559455.db2.gz CXVFRANSHYALTD-QEJZJMRPSA-N 2 2 314.389 1.914 10 0 DDAELP C[C@@]1(C[NH+]2CCN(c3nc4ccccc4o3)CC2)CC[NH2+]C1 ZINC000261936463 407678455 /nfs/dbraw/zinc/67/84/55/407678455.db2.gz DIMWTWJLDUNEST-QGZVFWFLSA-N 2 2 300.406 1.949 10 0 DDAELP CCc1noc([C@@H](C)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261936327 407678676 /nfs/dbraw/zinc/67/86/76/407678676.db2.gz DGCTZHZDIGMBDS-CJNGLKHVSA-N 2 2 307.442 1.310 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262426384 407832462 /nfs/dbraw/zinc/83/24/62/407832462.db2.gz FKXSMCRLVPHDQI-QEJZJMRPSA-N 2 2 301.390 1.497 10 0 DDAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262426384 407832466 /nfs/dbraw/zinc/83/24/66/407832466.db2.gz FKXSMCRLVPHDQI-QEJZJMRPSA-N 2 2 301.390 1.497 10 0 DDAELP C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245926674 408102903 /nfs/dbraw/zinc/10/29/03/408102903.db2.gz PTEVROPWIUQUGH-BJCAYOAGSA-N 2 2 321.465 1.323 10 0 DDAELP C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245926674 408102907 /nfs/dbraw/zinc/10/29/07/408102907.db2.gz PTEVROPWIUQUGH-BJCAYOAGSA-N 2 2 321.465 1.323 10 0 DDAELP COCc1noc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000182329517 408128062 /nfs/dbraw/zinc/12/80/62/408128062.db2.gz ALLTUXHIHICTPJ-CYBMUJFWSA-N 2 2 317.393 1.853 10 0 DDAELP COCc1noc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000182329517 408128070 /nfs/dbraw/zinc/12/80/70/408128070.db2.gz ALLTUXHIHICTPJ-CYBMUJFWSA-N 2 2 317.393 1.853 10 0 DDAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H](Cn4cncn4)C3)cn2)c[nH+]1 ZINC000177155037 408537565 /nfs/dbraw/zinc/53/75/65/408537565.db2.gz HZXFMKLSBLHTHM-INIZCTEOSA-N 2 2 323.404 1.771 10 0 DDAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](Cn4cncn4)C3)cn2)c[nH+]1 ZINC000177155037 408537568 /nfs/dbraw/zinc/53/75/68/408537568.db2.gz HZXFMKLSBLHTHM-INIZCTEOSA-N 2 2 323.404 1.771 10 0 DDAELP CC[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@@H+]1C[C@H](C)O ZINC000249096996 408687929 /nfs/dbraw/zinc/68/79/29/408687929.db2.gz OSUOTQIKAPQQSQ-UONOGXRCSA-N 2 2 323.437 1.376 10 0 DDAELP CC[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@H+]1C[C@H](C)O ZINC000249096996 408687934 /nfs/dbraw/zinc/68/79/34/408687934.db2.gz OSUOTQIKAPQQSQ-UONOGXRCSA-N 2 2 323.437 1.376 10 0 DDAELP COCCc1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178335893 408807353 /nfs/dbraw/zinc/80/73/53/408807353.db2.gz AULDQUDHVKLIIW-CYBMUJFWSA-N 2 2 305.382 1.428 10 0 DDAELP COCCc1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178335893 408807354 /nfs/dbraw/zinc/80/73/54/408807354.db2.gz AULDQUDHVKLIIW-CYBMUJFWSA-N 2 2 305.382 1.428 10 0 DDAELP CCOc1cc(C)nc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000131201460 196149455 /nfs/dbraw/zinc/14/94/55/196149455.db2.gz ORMZLCVMRQPPPU-UHFFFAOYSA-N 2 2 316.409 1.202 10 0 DDAELP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000171480673 279043027 /nfs/dbraw/zinc/04/30/27/279043027.db2.gz PJQYBKYEXGOQFG-HZPDHXFCSA-N 2 2 305.422 1.126 10 0 DDAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000171480673 279043028 /nfs/dbraw/zinc/04/30/28/279043028.db2.gz PJQYBKYEXGOQFG-HZPDHXFCSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000171480673 279043029 /nfs/dbraw/zinc/04/30/29/279043029.db2.gz PJQYBKYEXGOQFG-HZPDHXFCSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000171480673 279043030 /nfs/dbraw/zinc/04/30/30/279043030.db2.gz PJQYBKYEXGOQFG-HZPDHXFCSA-N 2 2 305.422 1.126 10 0 DDAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000171480668 279045559 /nfs/dbraw/zinc/04/55/59/279045559.db2.gz PJQYBKYEXGOQFG-CVEARBPZSA-N 2 2 305.422 1.126 10 0 DDAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000171480668 279045560 /nfs/dbraw/zinc/04/55/60/279045560.db2.gz PJQYBKYEXGOQFG-CVEARBPZSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000171480668 279045561 /nfs/dbraw/zinc/04/55/61/279045561.db2.gz PJQYBKYEXGOQFG-CVEARBPZSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000171480668 279045562 /nfs/dbraw/zinc/04/55/62/279045562.db2.gz PJQYBKYEXGOQFG-CVEARBPZSA-N 2 2 305.422 1.126 10 0 DDAELP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000261721943 295371138 /nfs/dbraw/zinc/37/11/38/295371138.db2.gz NODZUHZFRGHGDC-HOCLYGCPSA-N 2 2 317.433 1.860 10 0 DDAELP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000261721943 295371141 /nfs/dbraw/zinc/37/11/41/295371141.db2.gz NODZUHZFRGHGDC-HOCLYGCPSA-N 2 2 317.433 1.860 10 0 DDAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000382271480 483961576 /nfs/dbraw/zinc/96/15/76/483961576.db2.gz BRTSOUZAVZMEHD-MNOVXSKESA-N 2 2 306.859 1.991 10 0 DDAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000382271480 483961586 /nfs/dbraw/zinc/96/15/86/483961586.db2.gz BRTSOUZAVZMEHD-MNOVXSKESA-N 2 2 306.859 1.991 10 0 DDAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000089455600 484010680 /nfs/dbraw/zinc/01/06/80/484010680.db2.gz JMOJQYLXUFHHPM-HUUCEWRRSA-N 2 2 307.463 1.767 10 0 DDAELP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262401598 484271074 /nfs/dbraw/zinc/27/10/74/484271074.db2.gz CGUJZNNSXSCNNP-CVEARBPZSA-N 2 2 309.454 1.217 10 0 DDAELP CCN(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767959 185016521 /nfs/dbraw/zinc/01/65/21/185016521.db2.gz DSBSWAMPBNPXFB-UHFFFAOYSA-N 2 2 310.486 1.988 10 0 DDAELP [NH3+]C[C@H]([NH2+]CCCO)c1cc2c(c(Br)c1)OCO2 ZINC000087929737 185237775 /nfs/dbraw/zinc/23/77/75/185237775.db2.gz FGWJILFFEUVRDS-JTQLQIEISA-N 2 2 317.183 1.150 10 0 DDAELP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2n2cc[nH+]c2)o1 ZINC000088539144 185255293 /nfs/dbraw/zinc/25/52/93/185255293.db2.gz RDJLYOCGMGMHMM-VXGBXAGGSA-N 2 2 310.379 1.007 10 0 DDAELP Brc1ccsc1C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090309137 185290554 /nfs/dbraw/zinc/29/05/54/185290554.db2.gz SSNHOSVTIJFLPZ-UHFFFAOYSA-N 2 2 316.268 1.600 10 0 DDAELP CC(C)NC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272951 539570825 /nfs/dbraw/zinc/57/08/25/539570825.db2.gz VZTOQEYTYGMDIK-ZYHUDNBSSA-N 2 2 311.455 1.842 10 0 DDAELP CC(C)NC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272951 539570829 /nfs/dbraw/zinc/57/08/29/539570829.db2.gz VZTOQEYTYGMDIK-ZYHUDNBSSA-N 2 2 311.455 1.842 10 0 DDAELP C[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2C1 ZINC000072144660 191052107 /nfs/dbraw/zinc/05/21/07/191052107.db2.gz PSVFBQQFRMDLTE-CYBMUJFWSA-N 2 2 317.437 1.098 10 0 DDAELP C[N@H+]1CCc2n[nH]c(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2C1 ZINC000072144660 191052110 /nfs/dbraw/zinc/05/21/10/191052110.db2.gz PSVFBQQFRMDLTE-CYBMUJFWSA-N 2 2 317.437 1.098 10 0 DDAELP C[C@@H]1C[NH+](CCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000113216643 353976089 /nfs/dbraw/zinc/97/60/89/353976089.db2.gz XDGWKBYFXMRODP-RUPPMWDTSA-N 2 2 300.443 1.221 10 0 DDAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1cccc2[nH+]ccn21 ZINC000328634555 354555275 /nfs/dbraw/zinc/55/52/75/354555275.db2.gz UDZCWCBAEBKISG-ZDUSSCGKSA-N 2 2 309.373 1.865 10 0 DDAELP [NH3+]C[C@@H](c1cc(Cl)cs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000093095864 193202713 /nfs/dbraw/zinc/20/27/13/193202713.db2.gz IAFZDCUQHUPHIB-STQMWFEESA-N 2 2 315.870 1.808 10 0 DDAELP C[C@H]([NH3+])c1nc(-c2nc([C@@H]3C[N@H+](C)CCN3C)no2)cs1 ZINC000093892790 193323853 /nfs/dbraw/zinc/32/38/53/193323853.db2.gz PAWGHKHUTOLLOY-WPRPVWTQSA-N 2 2 308.411 1.131 10 0 DDAELP C[C@H]([NH3+])c1nc(-c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)cs1 ZINC000093892790 193323854 /nfs/dbraw/zinc/32/38/54/193323854.db2.gz PAWGHKHUTOLLOY-WPRPVWTQSA-N 2 2 308.411 1.131 10 0 DDAELP C[NH+](C)CCN1CC[NH+]([C@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489509 193373398 /nfs/dbraw/zinc/37/33/98/193373398.db2.gz QTVJUUKMGQNOGZ-MRXNPFEDSA-N 3 2 314.543 1.026 10 0 DDAELP [NH3+][C@H](Cc1c(Cl)cccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508201 193375074 /nfs/dbraw/zinc/37/50/74/193375074.db2.gz MNZCYJVBZMLZFO-KGLIPLIRSA-N 2 2 300.233 1.863 10 0 DDAELP [NH3+][C@H](Cc1ccccc1Br)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508561 193375161 /nfs/dbraw/zinc/37/51/61/193375161.db2.gz LLGFBFUXQALISE-KGLIPLIRSA-N 2 2 310.239 1.319 10 0 DDAELP CC[NH+](CC)CCNC(=O)Cc1c(C)[nH+]c2c(C)cccn12 ZINC000041288251 183183582 /nfs/dbraw/zinc/18/35/82/183183582.db2.gz BWFOLRHIIHHTIM-UHFFFAOYSA-N 2 2 302.422 1.952 10 0 DDAELP CCCc1nc(N2CC[C@H]([NH+]3CCOCC3)C2)sc1C[NH3+] ZINC000110275785 194318817 /nfs/dbraw/zinc/31/88/17/194318817.db2.gz YCMNONCLPRVLFJ-LBPRGKRZSA-N 2 2 310.467 1.465 10 0 DDAELP COC(=O)[C@@](C)(CCC[N@H+](C)CCC[NH+](C)C)[NH2+]C(C)C ZINC000111145370 194394999 /nfs/dbraw/zinc/39/49/99/194394999.db2.gz FZWUVWVOMASZDX-MRXNPFEDSA-N 3 2 301.475 1.580 10 0 DDAELP COC(=O)[C@@](C)(CCC[N@@H+](C)CCC[NH+](C)C)[NH2+]C(C)C ZINC000111145370 194395002 /nfs/dbraw/zinc/39/50/02/194395002.db2.gz FZWUVWVOMASZDX-MRXNPFEDSA-N 3 2 301.475 1.580 10 0 DDAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933484 184196624 /nfs/dbraw/zinc/19/66/24/184196624.db2.gz CTVMWEBIDUMDRM-MRXNPFEDSA-N 2 2 300.443 1.810 10 0 DDAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCCOCC1)C(=O)OCC ZINC000061933484 184196625 /nfs/dbraw/zinc/19/66/25/184196625.db2.gz CTVMWEBIDUMDRM-MRXNPFEDSA-N 2 2 300.443 1.810 10 0 DDAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)CCCOC)[NH2+]C1CC1 ZINC000062034767 184202790 /nfs/dbraw/zinc/20/27/90/184202790.db2.gz PNSSXXJKNDHOMV-MRXNPFEDSA-N 2 2 300.443 1.809 10 0 DDAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CCCOC)[NH2+]C1CC1 ZINC000062034767 184202791 /nfs/dbraw/zinc/20/27/91/184202791.db2.gz PNSSXXJKNDHOMV-MRXNPFEDSA-N 2 2 300.443 1.809 10 0 DDAELP Cc1cnn(C[C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000122673549 407307834 /nfs/dbraw/zinc/30/78/34/407307834.db2.gz CVPJNNACQFDXNS-QGZVFWFLSA-N 2 2 317.437 1.878 10 0 DDAELP Cc1cnn(C[C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)c1 ZINC000122673549 407307836 /nfs/dbraw/zinc/30/78/36/407307836.db2.gz CVPJNNACQFDXNS-QGZVFWFLSA-N 2 2 317.437 1.878 10 0 DDAELP CC(C)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106904944 407365736 /nfs/dbraw/zinc/36/57/36/407365736.db2.gz DADQLNNKKUKYNX-QGZVFWFLSA-N 2 2 303.450 1.712 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262541292 407862627 /nfs/dbraw/zinc/86/26/27/407862627.db2.gz RCZGNWUZYDMISV-WCFLWFBJSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262541292 407862633 /nfs/dbraw/zinc/86/26/33/407862633.db2.gz RCZGNWUZYDMISV-WCFLWFBJSA-N 2 2 323.824 1.956 10 0 DDAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262997427 407998541 /nfs/dbraw/zinc/99/85/41/407998541.db2.gz OJZAZQDVJZSIDL-CQSZACIVSA-N 2 2 315.408 1.897 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(COC)no2)C1 ZINC000182243031 408104894 /nfs/dbraw/zinc/10/48/94/408104894.db2.gz LVLBUDHEHISCNU-GFCCVEGCSA-N 2 2 305.382 1.812 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(COC)no2)C1 ZINC000182243031 408104904 /nfs/dbraw/zinc/10/49/04/408104904.db2.gz LVLBUDHEHISCNU-GFCCVEGCSA-N 2 2 305.382 1.812 10 0 DDAELP C[C@H]([NH2+]CC(=O)N1CCNC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912660 408134972 /nfs/dbraw/zinc/13/49/72/408134972.db2.gz HIOLMCXARMYVPT-LBPRGKRZSA-N 2 2 313.361 1.075 10 0 DDAELP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173978655 162383059 /nfs/dbraw/zinc/38/30/59/162383059.db2.gz ZEUFAUXARPWTNP-KRWDZBQOSA-N 2 2 317.433 1.295 10 0 DDAELP CC[C@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@@H+]1C[C@H](C)O ZINC000249096995 408687059 /nfs/dbraw/zinc/68/70/59/408687059.db2.gz OSUOTQIKAPQQSQ-KBPBESRZSA-N 2 2 323.437 1.376 10 0 DDAELP CC[C@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@H+]1C[C@H](C)O ZINC000249096995 408687066 /nfs/dbraw/zinc/68/70/66/408687066.db2.gz OSUOTQIKAPQQSQ-KBPBESRZSA-N 2 2 323.437 1.376 10 0 DDAELP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000190165050 163130567 /nfs/dbraw/zinc/13/05/67/163130567.db2.gz LBXDEDDEYUUOJM-OAHLLOKOSA-N 2 2 314.474 1.080 10 0 DDAELP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000190165050 163130571 /nfs/dbraw/zinc/13/05/71/163130571.db2.gz LBXDEDDEYUUOJM-OAHLLOKOSA-N 2 2 314.474 1.080 10 0 DDAELP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000194697771 163293910 /nfs/dbraw/zinc/29/39/10/163293910.db2.gz VFDOSGYROOPWFV-PBHICJAKSA-N 2 2 321.465 1.040 10 0 DDAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195051241 163303695 /nfs/dbraw/zinc/30/36/95/163303695.db2.gz KOLPSHNEYBVDDN-HNNXBMFYSA-N 2 2 311.389 1.578 10 0 DDAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195051241 163303698 /nfs/dbraw/zinc/30/36/98/163303698.db2.gz KOLPSHNEYBVDDN-HNNXBMFYSA-N 2 2 311.389 1.578 10 0 DDAELP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C[C@H](C)O1 ZINC000131870785 196205678 /nfs/dbraw/zinc/20/56/78/196205678.db2.gz HHXSZWYOXNYXOI-LZWOXQAQSA-N 2 2 319.405 1.171 10 0 DDAELP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C[C@H](C)O1 ZINC000131870785 196205680 /nfs/dbraw/zinc/20/56/80/196205680.db2.gz HHXSZWYOXNYXOI-LZWOXQAQSA-N 2 2 319.405 1.171 10 0 DDAELP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH3+])[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000584607067 337371875 /nfs/dbraw/zinc/37/18/75/337371875.db2.gz UJSAHUBHOFQOHO-XFKAJCMBSA-N 2 2 314.385 1.015 10 0 DDAELP COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4([NH3+])[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000584607067 337371876 /nfs/dbraw/zinc/37/18/76/337371876.db2.gz UJSAHUBHOFQOHO-XFKAJCMBSA-N 2 2 314.385 1.015 10 0 DDAELP Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309925595 545655749 /nfs/dbraw/zinc/65/57/49/545655749.db2.gz SVPILELNZUWJSN-IXDOHACOSA-N 2 2 311.433 1.815 10 0 DDAELP Cn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309925595 545655754 /nfs/dbraw/zinc/65/57/54/545655754.db2.gz SVPILELNZUWJSN-IXDOHACOSA-N 2 2 311.433 1.815 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC000886082584 708694950 /nfs/dbraw/zinc/69/49/50/708694950.db2.gz ROQYNVXYZIQQAE-ZNMIVQPWSA-N 2 2 312.845 1.768 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC000886082584 708694952 /nfs/dbraw/zinc/69/49/52/708694952.db2.gz ROQYNVXYZIQQAE-ZNMIVQPWSA-N 2 2 312.845 1.768 10 0 DDAELP C[NH+]1CCC([NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000082348103 185176759 /nfs/dbraw/zinc/17/67/59/185176759.db2.gz WXIKXLOSCDYMHY-UHFFFAOYSA-N 2 2 319.424 1.607 10 0 DDAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000183116571 539240838 /nfs/dbraw/zinc/24/08/38/539240838.db2.gz OYUBAPGHJDNYGV-GOEBONIOSA-N 2 2 321.421 1.081 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000090327875 185291216 /nfs/dbraw/zinc/29/12/16/185291216.db2.gz FWKDZEMNPMBLPT-FOGDFJRCSA-N 2 2 311.788 1.957 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000090327875 185291217 /nfs/dbraw/zinc/29/12/17/185291217.db2.gz FWKDZEMNPMBLPT-FOGDFJRCSA-N 2 2 311.788 1.957 10 0 DDAELP [NH3+][C@@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000090379727 185293452 /nfs/dbraw/zinc/29/34/52/185293452.db2.gz IFNUSTFJQMTMHY-GXSJLCMTSA-N 2 2 306.753 1.438 10 0 DDAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000328619938 354547742 /nfs/dbraw/zinc/54/77/42/354547742.db2.gz GMOQTEHJKZYWKH-ZDUSSCGKSA-N 2 2 309.373 1.865 10 0 DDAELP Cc1cc(C)n(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cc(=O)[nH]2)n1 ZINC000073696253 191343073 /nfs/dbraw/zinc/34/30/73/191343073.db2.gz VQSPYPKJOIKGDL-CYBMUJFWSA-N 2 2 316.409 1.074 10 0 DDAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(N)=O ZINC000180659870 199192394 /nfs/dbraw/zinc/19/23/94/199192394.db2.gz KIBFORAWDBCHOP-WDEREUQCSA-N 2 2 301.350 1.106 10 0 DDAELP CCS(=O)(=O)CCC[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000091640489 193082563 /nfs/dbraw/zinc/08/25/63/193082563.db2.gz RDVNBMSRWCXIOJ-AWEZNQCLSA-N 2 2 302.484 1.937 10 0 DDAELP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000091767275 193103777 /nfs/dbraw/zinc/10/37/77/193103777.db2.gz SKMBJTRXGILQOS-LZWOXQAQSA-N 2 2 318.421 1.727 10 0 DDAELP CCC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC000093895818 193325811 /nfs/dbraw/zinc/32/58/11/193325811.db2.gz TVZIUBOOMNVPOB-HZPDHXFCSA-N 2 2 310.873 1.892 10 0 DDAELP CCC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[N@@H+](C)CCN1C ZINC000093895818 193325813 /nfs/dbraw/zinc/32/58/13/193325813.db2.gz TVZIUBOOMNVPOB-HZPDHXFCSA-N 2 2 310.873 1.892 10 0 DDAELP CCn1nc(C)c(Br)c1Cn1c[nH+]c(CC[NH3+])c1 ZINC000094529540 193376990 /nfs/dbraw/zinc/37/69/90/193376990.db2.gz PHANAQKAEMGMGC-UHFFFAOYSA-N 2 2 312.215 1.720 10 0 DDAELP COc1nccnc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000333600070 249036868 /nfs/dbraw/zinc/03/68/68/249036868.db2.gz VANJRGWRLHSYMA-CYBMUJFWSA-N 2 2 301.394 1.673 10 0 DDAELP COc1nccnc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000333600070 249036870 /nfs/dbraw/zinc/03/68/70/249036870.db2.gz VANJRGWRLHSYMA-CYBMUJFWSA-N 2 2 301.394 1.673 10 0 DDAELP Cc1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756897 183129867 /nfs/dbraw/zinc/12/98/67/183129867.db2.gz SNDZWOFTJYYVHT-UHFFFAOYSA-N 2 2 313.409 1.685 10 0 DDAELP Clc1nc(N[C@@H]2C[NH+]3CCC2CC3)nc(-n2cc[nH+]c2)n1 ZINC000061536704 184172317 /nfs/dbraw/zinc/17/23/17/184172317.db2.gz WPQLMVFVLQWQMI-SNVBAGLBSA-N 2 2 305.773 1.217 10 0 DDAELP CC[NH+](CC)C[C@H](C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061541595 184174286 /nfs/dbraw/zinc/17/42/86/184174286.db2.gz RICNWZBZJBCQSR-JTQLQIEISA-N 2 2 309.805 1.853 10 0 DDAELP CC1(C)C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@H]1[NH3+] ZINC000261610013 207365787 /nfs/dbraw/zinc/36/57/87/207365787.db2.gz BWJAWUAZAMLABU-GFCCVEGCSA-N 2 2 324.450 1.133 10 0 DDAELP CC1(C)C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@H]1[NH3+] ZINC000261610013 207365795 /nfs/dbraw/zinc/36/57/95/207365795.db2.gz BWJAWUAZAMLABU-GFCCVEGCSA-N 2 2 324.450 1.133 10 0 DDAELP Cc1oncc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000128537177 407548036 /nfs/dbraw/zinc/54/80/36/407548036.db2.gz IRALEDLMZFPUQL-QGZVFWFLSA-N 2 2 322.453 1.210 10 0 DDAELP Cc1oncc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000128537177 407548040 /nfs/dbraw/zinc/54/80/40/407548040.db2.gz IRALEDLMZFPUQL-QGZVFWFLSA-N 2 2 322.453 1.210 10 0 DDAELP CC(C)Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261901942 407663491 /nfs/dbraw/zinc/66/34/91/407663491.db2.gz HUTDBXIZZAPZJB-ARFHVFGLSA-N 2 2 306.454 1.786 10 0 DDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132288385 407777993 /nfs/dbraw/zinc/77/79/93/407777993.db2.gz VWPROTOHPXCHFR-UHFFFAOYSA-N 2 2 319.497 1.640 10 0 DDAELP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000238008881 407870461 /nfs/dbraw/zinc/87/04/61/407870461.db2.gz LIRAYHFDYHIDFN-CVEARBPZSA-N 2 2 302.422 1.243 10 0 DDAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182113566 408074025 /nfs/dbraw/zinc/07/40/25/408074025.db2.gz KGJFVTMGHGGFLB-UHFFFAOYSA-N 2 2 319.453 1.079 10 0 DDAELP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182113566 408074033 /nfs/dbraw/zinc/07/40/33/408074033.db2.gz KGJFVTMGHGGFLB-UHFFFAOYSA-N 2 2 319.453 1.079 10 0 DDAELP Cc1ccc([C@@H](CNC(=O)C[NH2+]C2CC2)[NH+]2CCOCC2)s1 ZINC000182415375 408150300 /nfs/dbraw/zinc/15/03/00/408150300.db2.gz PHNCUMYXIUQXDM-CQSZACIVSA-N 2 2 323.462 1.298 10 0 DDAELP Cc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nc(C2CC2)[nH+]1 ZINC000246415315 408252140 /nfs/dbraw/zinc/25/21/40/408252140.db2.gz FPLIGGJDAQMYPS-DOMZBBRYSA-N 2 2 302.422 1.819 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246378101 408236660 /nfs/dbraw/zinc/23/66/60/408236660.db2.gz SLQOYXNGQUKROZ-ZWKOTPCHSA-N 2 2 315.461 1.856 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246378101 408236667 /nfs/dbraw/zinc/23/66/67/408236667.db2.gz SLQOYXNGQUKROZ-ZWKOTPCHSA-N 2 2 315.461 1.856 10 0 DDAELP COc1c(C)c[nH+]c(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000246527145 408283794 /nfs/dbraw/zinc/28/37/94/408283794.db2.gz RTCYJESURBQGSN-PBHICJAKSA-N 2 2 319.449 1.860 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000246611256 408304311 /nfs/dbraw/zinc/30/43/11/408304311.db2.gz DMPBIQNFVXKZOA-HUUCEWRRSA-N 2 2 307.442 1.643 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000246611256 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CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000180567534 199176893 /nfs/dbraw/zinc/17/68/93/199176893.db2.gz NPNIDGLKLFLUGO-GXTWGEPZSA-N 2 2 315.425 1.571 10 0 DDAELP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1N1CCOCC1 ZINC000180654908 199191918 /nfs/dbraw/zinc/19/19/18/199191918.db2.gz DRZOJKGJCKRBJD-HOCLYGCPSA-N 2 2 300.406 1.487 10 0 DDAELP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1N1CCOCC1 ZINC000180654908 199191919 /nfs/dbraw/zinc/19/19/19/199191919.db2.gz DRZOJKGJCKRBJD-HOCLYGCPSA-N 2 2 300.406 1.487 10 0 DDAELP CCC[N@@H+]1CCO[C@@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093920050 193327957 /nfs/dbraw/zinc/32/79/57/193327957.db2.gz IRORRYDTYYMFFN-TZMCWYRMSA-N 2 2 314.861 1.623 10 0 DDAELP CCC[N@H+]1CCO[C@@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093920050 193327958 /nfs/dbraw/zinc/32/79/58/193327958.db2.gz IRORRYDTYYMFFN-TZMCWYRMSA-N 2 2 314.861 1.623 10 0 DDAELP CCc1nn(C)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1Cl ZINC000094072260 193343336 /nfs/dbraw/zinc/34/33/36/193343336.db2.gz CLDHVIIKRXJCCM-UHFFFAOYSA-N 2 2 314.861 1.966 10 0 DDAELP C[N@H+](CCc1ccccn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915859 194168515 /nfs/dbraw/zinc/16/85/15/194168515.db2.gz QEVICWRMWBPFKB-UHFFFAOYSA-N 2 2 313.449 1.917 10 0 DDAELP C[N@@H+](CCc1ccccn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915859 194168517 /nfs/dbraw/zinc/16/85/17/194168517.db2.gz QEVICWRMWBPFKB-UHFFFAOYSA-N 2 2 313.449 1.917 10 0 DDAELP NC(=[NH2+])c1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000061941505 184197515 /nfs/dbraw/zinc/19/75/15/184197515.db2.gz QNHAEYWOCOTEDK-UHFFFAOYSA-N 2 2 300.328 1.651 10 0 DDAELP [NH3+]CCC[NH+]1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000063003854 184266161 /nfs/dbraw/zinc/26/61/61/184266161.db2.gz VQOSKBNVQUGQEV-UHFFFAOYSA-N 2 2 301.312 1.211 10 0 DDAELP C[C@]1(C[NH+]2CCN(c3nc4ccccc4o3)CC2)CC[NH2+]C1 ZINC000261936460 407678012 /nfs/dbraw/zinc/67/80/12/407678012.db2.gz DIMWTWJLDUNEST-KRWDZBQOSA-N 2 2 300.406 1.949 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc2ccccn12 ZINC000261953354 407688513 /nfs/dbraw/zinc/68/85/13/407688513.db2.gz OQGNYXRRXOYQBR-BZUAXINKSA-N 2 2 300.406 1.581 10 0 DDAELP Cc1cccc(NC[C@H]2CCN(Cc3noc(C[NH3+])n3)C2)[nH+]1 ZINC000262237023 407773572 /nfs/dbraw/zinc/77/35/72/407773572.db2.gz ORSCPSOOJXLGDB-GFCCVEGCSA-N 2 2 302.382 1.166 10 0 DDAELP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245423689 407973627 /nfs/dbraw/zinc/97/36/27/407973627.db2.gz REEJYXGHEVUAIJ-GJZGRUSLSA-N 2 2 319.453 1.358 10 0 DDAELP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245423689 407973646 /nfs/dbraw/zinc/97/36/46/407973646.db2.gz REEJYXGHEVUAIJ-GJZGRUSLSA-N 2 2 319.453 1.358 10 0 DDAELP C[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000171939385 162249359 /nfs/dbraw/zinc/24/93/59/162249359.db2.gz HKWACBPPYSLBIN-LSDHHAIUSA-N 2 2 301.438 1.997 10 0 DDAELP C[C@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000171939385 162249362 /nfs/dbraw/zinc/24/93/62/162249362.db2.gz HKWACBPPYSLBIN-LSDHHAIUSA-N 2 2 301.438 1.997 10 0 DDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCCCC1 ZINC000195515690 163327229 /nfs/dbraw/zinc/32/72/29/163327229.db2.gz ZKCRGXMMCJVALL-HNNXBMFYSA-N 2 2 302.422 1.828 10 0 DDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCCCC1 ZINC000195515690 163327230 /nfs/dbraw/zinc/32/72/30/163327230.db2.gz ZKCRGXMMCJVALL-HNNXBMFYSA-N 2 2 302.422 1.828 10 0 DDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000332917309 164067419 /nfs/dbraw/zinc/06/74/19/164067419.db2.gz CCXZRAUGTGHUNB-GDBMZVCRSA-N 2 2 318.421 1.729 10 0 DDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000332917309 164067420 /nfs/dbraw/zinc/06/74/20/164067420.db2.gz CCXZRAUGTGHUNB-GDBMZVCRSA-N 2 2 318.421 1.729 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000168336632 484090229 /nfs/dbraw/zinc/09/02/29/484090229.db2.gz OZOOVJNJVVXTLS-GFCCVEGCSA-N 2 2 302.378 1.975 10 0 DDAELP Cn1cc[nH+]c1N1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000328890365 534793910 /nfs/dbraw/zinc/79/39/10/534793910.db2.gz ROOBBFFQTRYDIY-UHFFFAOYSA-N 2 2 314.418 1.747 10 0 DDAELP O=C(NCCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CSC[NH2+]1 ZINC000074600043 185001209 /nfs/dbraw/zinc/00/12/09/185001209.db2.gz UIIWPJMVOQMFAM-LLVKDONJSA-N 2 2 310.810 1.309 10 0 DDAELP Cn1cc[nH+]c1CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000328835551 231362169 /nfs/dbraw/zinc/36/21/69/231362169.db2.gz MINRTNFBTQKSOU-UHFFFAOYSA-N 2 2 315.421 1.568 10 0 DDAELP CC(C)NC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272946 539569977 /nfs/dbraw/zinc/56/99/77/539569977.db2.gz VZTOQEYTYGMDIK-CMPLNLGQSA-N 2 2 311.455 1.842 10 0 DDAELP CC(C)NC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272946 539569981 /nfs/dbraw/zinc/56/99/81/539569981.db2.gz VZTOQEYTYGMDIK-CMPLNLGQSA-N 2 2 311.455 1.842 10 0 DDAELP C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(c1cc[nH+]cc1F)C2 ZINC000220394579 354314246 /nfs/dbraw/zinc/31/42/46/354314246.db2.gz JAZUZKOSROEZMR-INIZCTEOSA-N 2 2 319.384 1.423 10 0 DDAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000328625687 354550553 /nfs/dbraw/zinc/55/05/53/354550553.db2.gz KXPCGWMVDMFZAC-CYBMUJFWSA-N 2 2 309.373 1.865 10 0 DDAELP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194018344 201164588 /nfs/dbraw/zinc/16/45/88/201164588.db2.gz BCPXZUFROHQSOJ-INIZCTEOSA-N 2 2 303.406 1.599 10 0 DDAELP CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250709 201366387 /nfs/dbraw/zinc/36/63/87/201366387.db2.gz YRZWATUYWOFNMA-CQSZACIVSA-N 2 2 324.494 1.731 10 0 DDAELP CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250709 201366388 /nfs/dbraw/zinc/36/63/88/201366388.db2.gz YRZWATUYWOFNMA-CQSZACIVSA-N 2 2 324.494 1.731 10 0 DDAELP CCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250709 201366392 /nfs/dbraw/zinc/36/63/92/201366392.db2.gz YRZWATUYWOFNMA-CQSZACIVSA-N 2 2 324.494 1.731 10 0 DDAELP CCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250709 201366395 /nfs/dbraw/zinc/36/63/95/201366395.db2.gz YRZWATUYWOFNMA-CQSZACIVSA-N 2 2 324.494 1.731 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894218 193323774 /nfs/dbraw/zinc/32/37/74/193323774.db2.gz QHRAKRLUFWZWGD-FZMZJTMJSA-N 2 2 313.877 1.234 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894218 193323776 /nfs/dbraw/zinc/32/37/76/193323776.db2.gz QHRAKRLUFWZWGD-FZMZJTMJSA-N 2 2 313.877 1.234 10 0 DDAELP C[N@H+](CCS(C)(=O)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000094297587 193356860 /nfs/dbraw/zinc/35/68/60/193356860.db2.gz WACBPWOZJILKHG-MGPQQGTHSA-N 2 2 304.500 1.753 10 0 DDAELP C[N@@H+](CCS(C)(=O)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000094297587 193356862 /nfs/dbraw/zinc/35/68/62/193356862.db2.gz WACBPWOZJILKHG-MGPQQGTHSA-N 2 2 304.500 1.753 10 0 DDAELP CC(C)([C@H]([NH3+])[C@H]1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000094642885 193389083 /nfs/dbraw/zinc/38/90/83/193389083.db2.gz OUIAKRAJIHQYMV-MELADBBJSA-N 2 2 302.484 1.792 10 0 DDAELP CC[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094644257 193389699 /nfs/dbraw/zinc/38/96/99/193389699.db2.gz FCSGAKNTPLMFAP-ZNMIVQPWSA-N 2 2 302.484 1.664 10 0 DDAELP CC[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000094644257 193389700 /nfs/dbraw/zinc/38/97/00/193389700.db2.gz FCSGAKNTPLMFAP-ZNMIVQPWSA-N 2 2 302.484 1.664 10 0 DDAELP [NH3+]CC1C[NH+]([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000039952181 183024048 /nfs/dbraw/zinc/02/40/48/183024048.db2.gz FOCCGVWNUFVKGJ-MRXNPFEDSA-N 2 2 303.406 1.678 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(NC3CCCCC3)c2N)CC1 ZINC000040708507 183120696 /nfs/dbraw/zinc/12/06/96/183120696.db2.gz RAVZJJSAITWFRU-UHFFFAOYSA-N 2 2 305.430 1.378 10 0 DDAELP CN(Cc1[nH+]ccn1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863512 194150346 /nfs/dbraw/zinc/15/03/46/194150346.db2.gz AMXWWSNZRWXIIC-UHFFFAOYSA-N 2 2 302.426 1.213 10 0 DDAELP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)CCO[C@H]3C2)cc(OC)c1 ZINC000248109719 257109596 /nfs/dbraw/zinc/10/95/96/257109596.db2.gz GWKILJGUVRNBQO-PBHICJAKSA-N 2 2 306.406 1.466 10 0 DDAELP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)CCO[C@H]3C2)cc(OC)c1 ZINC000248109719 257109597 /nfs/dbraw/zinc/10/95/97/257109597.db2.gz GWKILJGUVRNBQO-PBHICJAKSA-N 2 2 306.406 1.466 10 0 DDAELP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)CCO[C@H]3C2)cc(OC)c1 ZINC000248109719 257109598 /nfs/dbraw/zinc/10/95/98/257109598.db2.gz GWKILJGUVRNBQO-PBHICJAKSA-N 2 2 306.406 1.466 10 0 DDAELP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)CCO[C@H]3C2)cc(OC)c1 ZINC000248109719 257109600 /nfs/dbraw/zinc/10/96/00/257109600.db2.gz GWKILJGUVRNBQO-PBHICJAKSA-N 2 2 306.406 1.466 10 0 DDAELP O=C(NCc1c[nH+]c2n1CC[N@@H+](CC1CC1)CC2)C1CCC1 ZINC000096197066 257132988 /nfs/dbraw/zinc/13/29/88/257132988.db2.gz WNAJDQCNVGTZHA-UHFFFAOYSA-N 2 2 302.422 1.568 10 0 DDAELP O=C(NCc1c[nH+]c2n1CC[N@H+](CC1CC1)CC2)C1CCC1 ZINC000096197066 257132989 /nfs/dbraw/zinc/13/29/89/257132989.db2.gz WNAJDQCNVGTZHA-UHFFFAOYSA-N 2 2 302.422 1.568 10 0 DDAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc3ncccn23)C1 ZINC000097139218 407282061 /nfs/dbraw/zinc/28/20/61/407282061.db2.gz CEBLTKXPDGHCCF-AWEZNQCLSA-N 2 2 310.405 1.918 10 0 DDAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc3ncccn23)C1 ZINC000097139218 407282063 /nfs/dbraw/zinc/28/20/63/407282063.db2.gz CEBLTKXPDGHCCF-AWEZNQCLSA-N 2 2 310.405 1.918 10 0 DDAELP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1[NH3+] ZINC000262048384 407724171 /nfs/dbraw/zinc/72/41/71/407724171.db2.gz QALPLVOWPCUECD-GXFFZTMASA-N 2 2 300.362 1.584 10 0 DDAELP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1[NH3+] ZINC000262048384 407724177 /nfs/dbraw/zinc/72/41/77/407724177.db2.gz QALPLVOWPCUECD-GXFFZTMASA-N 2 2 300.362 1.584 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000262279544 407782022 /nfs/dbraw/zinc/78/20/22/407782022.db2.gz LOYWYHZZFPJCSB-XEZPLFJOSA-N 2 2 321.421 1.208 10 0 DDAELP [NH3+]CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000262417555 407829641 /nfs/dbraw/zinc/82/96/41/407829641.db2.gz ZTDWHIFFDRPFIT-UHFFFAOYSA-N 2 2 318.352 1.705 10 0 DDAELP CC[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117467753 407839036 /nfs/dbraw/zinc/83/90/36/407839036.db2.gz MYICRIAZNAQDOO-HNNXBMFYSA-N 2 2 323.441 1.025 10 0 DDAELP CC[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117467753 407839044 /nfs/dbraw/zinc/83/90/44/407839044.db2.gz MYICRIAZNAQDOO-HNNXBMFYSA-N 2 2 323.441 1.025 10 0 DDAELP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000263052683 408012132 /nfs/dbraw/zinc/01/21/32/408012132.db2.gz USGZGZDSMIMJDN-WDEREUQCSA-N 2 2 303.378 1.464 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000175500682 408145859 /nfs/dbraw/zinc/14/58/59/408145859.db2.gz ONYVZJZRCPELLR-OAHLLOKOSA-N 2 2 316.409 1.652 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nccn2C)nc[nH+]1 ZINC000183216984 306709905 /nfs/dbraw/zinc/70/99/05/306709905.db2.gz KDGRLJJTEDDKAF-OLZOCXBDSA-N 2 2 315.425 1.571 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn(C)nc2C)nc[nH+]1 ZINC000162031444 408662543 /nfs/dbraw/zinc/66/25/43/408662543.db2.gz HPOMUFFILAOBEZ-CQSZACIVSA-N 2 2 315.425 1.319 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCS(=O)(=O)C(C)C)C1 ZINC000178224040 408789753 /nfs/dbraw/zinc/78/97/53/408789753.db2.gz GPANHVKGVIJNHH-AWEZNQCLSA-N 2 2 313.467 1.906 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCS(=O)(=O)C(C)C)C1 ZINC000178224040 408789754 /nfs/dbraw/zinc/78/97/54/408789754.db2.gz GPANHVKGVIJNHH-AWEZNQCLSA-N 2 2 313.467 1.906 10 0 DDAELP O[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[NH+]1CCOCC1 ZINC000301723590 410779859 /nfs/dbraw/zinc/77/98/59/410779859.db2.gz LAICBHSFUQHZDF-ZDUSSCGKSA-N 2 2 305.353 1.479 10 0 DDAELP C[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000129689900 196068679 /nfs/dbraw/zinc/06/86/79/196068679.db2.gz PUSRETAXZCPVKI-SJLPKXTDSA-N 2 2 304.434 1.548 10 0 DDAELP C[C@@](O)(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000129689900 196068680 /nfs/dbraw/zinc/06/86/80/196068680.db2.gz PUSRETAXZCPVKI-SJLPKXTDSA-N 2 2 304.434 1.548 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000178289320 279173207 /nfs/dbraw/zinc/17/32/07/279173207.db2.gz VQIMTABUUZWLJT-INIZCTEOSA-N 2 2 323.404 1.832 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000178289320 279173209 /nfs/dbraw/zinc/17/32/09/279173209.db2.gz VQIMTABUUZWLJT-INIZCTEOSA-N 2 2 323.404 1.832 10 0 DDAELP C[N@@H+]1CCC[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315873 185175678 /nfs/dbraw/zinc/17/56/78/185175678.db2.gz YGADTTACIZBIKU-HNNXBMFYSA-N 2 2 302.422 1.462 10 0 DDAELP C[N@H+]1CCC[C@@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315873 185175679 /nfs/dbraw/zinc/17/56/79/185175679.db2.gz YGADTTACIZBIKU-HNNXBMFYSA-N 2 2 302.422 1.462 10 0 DDAELP CC[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000087532921 185227673 /nfs/dbraw/zinc/22/76/73/185227673.db2.gz RZYYDTAPTPXVKU-OLZOCXBDSA-N 2 2 311.451 1.223 10 0 DDAELP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306645 185290105 /nfs/dbraw/zinc/29/01/05/185290105.db2.gz BRSBAXZNUVPMJS-GFCCVEGCSA-N 2 2 302.447 1.947 10 0 DDAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000395014525 354649786 /nfs/dbraw/zinc/64/97/86/354649786.db2.gz MYNJKRRLPWGVOM-AWEZNQCLSA-N 2 2 313.239 1.995 10 0 DDAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000395014525 354649790 /nfs/dbraw/zinc/64/97/90/354649790.db2.gz MYNJKRRLPWGVOM-AWEZNQCLSA-N 2 2 313.239 1.995 10 0 DDAELP Cc1[nH+]cc(C[NH2+][C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000081293034 192246650 /nfs/dbraw/zinc/24/66/50/192246650.db2.gz BNVZNXGZTUMQOR-ZDUSSCGKSA-N 2 2 305.403 1.457 10 0 DDAELP Cc1ccc(C(N)=S)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091671479 193089149 /nfs/dbraw/zinc/08/91/49/193089149.db2.gz SWUMLKPNJDBUBJ-NEPJUHHUSA-N 2 2 306.435 1.299 10 0 DDAELP Cc1ccc(C(N)=S)c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000091671479 193089151 /nfs/dbraw/zinc/08/91/51/193089151.db2.gz SWUMLKPNJDBUBJ-NEPJUHHUSA-N 2 2 306.435 1.299 10 0 DDAELP CCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@](C)(CC)C[NH3+] ZINC000093695992 193291593 /nfs/dbraw/zinc/29/15/93/193291593.db2.gz VGLSEZYMCMDHKD-CABCVRRESA-N 2 2 319.515 1.497 10 0 DDAELP CCC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)[C@@](C)(CC)C[NH3+] ZINC000093695992 193291595 /nfs/dbraw/zinc/29/15/95/193291595.db2.gz VGLSEZYMCMDHKD-CABCVRRESA-N 2 2 319.515 1.497 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@H]1C[N@H+](CC)CCO1 ZINC000093913896 193327425 /nfs/dbraw/zinc/32/74/25/193327425.db2.gz JIKIZHJSAYTREX-YPMHNXCESA-N 2 2 300.834 1.455 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC)CCO1 ZINC000093913896 193327427 /nfs/dbraw/zinc/32/74/27/193327427.db2.gz JIKIZHJSAYTREX-YPMHNXCESA-N 2 2 300.834 1.455 10 0 DDAELP CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510158 193375365 /nfs/dbraw/zinc/37/53/65/193375365.db2.gz FCSUHPSOFNEJKI-JKSUJKDBSA-N 2 2 311.832 2.000 10 0 DDAELP O=C(Nc1cccc(Cl)c1-n1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000043708395 183382969 /nfs/dbraw/zinc/38/29/69/183382969.db2.gz CBTCDOPTDLRMPP-LBPRGKRZSA-N 2 2 306.753 1.453 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCSCC2)nc[nH+]1 ZINC000105904862 194166234 /nfs/dbraw/zinc/16/62/34/194166234.db2.gz RJNNETGLCRYFOD-ZDUSSCGKSA-N 2 2 307.467 1.972 10 0 DDAELP CCc1nc(N2CC[C@@H]([NH+]3CCOCC3)C2)sc1C[NH2+]C ZINC000110275807 194319169 /nfs/dbraw/zinc/31/91/69/194319169.db2.gz NLQOITRHAVAVQR-GFCCVEGCSA-N 2 2 310.467 1.336 10 0 DDAELP Cc1cc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)c(C)s1 ZINC000062978727 184264278 /nfs/dbraw/zinc/26/42/78/184264278.db2.gz LJNHEZPTFLKVBR-HOCLYGCPSA-N 2 2 309.479 1.771 10 0 DDAELP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)[C@@H]2CCCO2)C1 ZINC000248144074 257108320 /nfs/dbraw/zinc/10/83/20/257108320.db2.gz VDHHYCHXKXEWOK-GJZGRUSLSA-N 2 2 320.437 1.361 10 0 DDAELP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)[C@@H]2CCCO2)C1 ZINC000248144074 257108321 /nfs/dbraw/zinc/10/83/21/257108321.db2.gz VDHHYCHXKXEWOK-GJZGRUSLSA-N 2 2 320.437 1.361 10 0 DDAELP CCCCNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863045 407356676 /nfs/dbraw/zinc/35/66/76/407356676.db2.gz KTPIWLHXJSZSFD-UHFFFAOYSA-N 2 2 321.469 1.196 10 0 DDAELP CCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863045 407356677 /nfs/dbraw/zinc/35/66/77/407356677.db2.gz KTPIWLHXJSZSFD-UHFFFAOYSA-N 2 2 321.469 1.196 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613744 /nfs/dbraw/zinc/61/37/44/407613744.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613750 /nfs/dbraw/zinc/61/37/50/407613750.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613757 /nfs/dbraw/zinc/61/37/57/407613757.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613764 /nfs/dbraw/zinc/61/37/64/407613764.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 2 302.466 1.835 10 0 DDAELP [NH3+]Cc1nc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)no1 ZINC000261821606 407627763 /nfs/dbraw/zinc/62/77/63/407627763.db2.gz SFUVFZZBLMPEGD-UHFFFAOYSA-N 2 2 319.384 1.375 10 0 DDAELP [NH3+]Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)no1 ZINC000261821606 407627764 /nfs/dbraw/zinc/62/77/64/407627764.db2.gz SFUVFZZBLMPEGD-UHFFFAOYSA-N 2 2 319.384 1.375 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262416717 407827711 /nfs/dbraw/zinc/82/77/11/407827711.db2.gz DPMMVVOLKNCSIS-IMJJTQAJSA-N 2 2 323.462 1.106 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000262416717 407827717 /nfs/dbraw/zinc/82/77/17/407827717.db2.gz DPMMVVOLKNCSIS-IMJJTQAJSA-N 2 2 323.462 1.106 10 0 DDAELP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263158303 408042276 /nfs/dbraw/zinc/04/22/76/408042276.db2.gz DPTOXXXJOBJKTD-CQSZACIVSA-N 2 2 324.375 1.159 10 0 DDAELP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262983330 407993993 /nfs/dbraw/zinc/99/39/93/407993993.db2.gz MWNZCSDPPQLFQY-OAHLLOKOSA-N 2 2 323.387 1.764 10 0 DDAELP C[NH+](C)C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)Cc2ccccc2C1 ZINC000263223113 408064994 /nfs/dbraw/zinc/06/49/94/408064994.db2.gz MHMFIABLEGFKSB-AWEZNQCLSA-N 2 2 323.387 1.199 10 0 DDAELP COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245909938 408094721 /nfs/dbraw/zinc/09/47/21/408094721.db2.gz DEKHJQDSIXABSD-HZPDHXFCSA-N 2 2 314.389 1.965 10 0 DDAELP COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245909938 408094724 /nfs/dbraw/zinc/09/47/24/408094724.db2.gz DEKHJQDSIXABSD-HZPDHXFCSA-N 2 2 314.389 1.965 10 0 DDAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(Cl)c1OC ZINC000263319140 408105336 /nfs/dbraw/zinc/10/53/36/408105336.db2.gz ZYOCAWQLHQQDKO-GHMZBOCLSA-N 2 2 300.786 1.027 10 0 DDAELP CCOCC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000246018103 408121267 /nfs/dbraw/zinc/12/12/67/408121267.db2.gz LDLWZLXDNLJAOF-SJORKVTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000246018103 408121270 /nfs/dbraw/zinc/12/12/70/408121270.db2.gz LDLWZLXDNLJAOF-SJORKVTESA-N 2 2 313.486 1.140 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246893976 408361943 /nfs/dbraw/zinc/36/19/43/408361943.db2.gz HIHHJGYIIHWMDK-OVYGPGRDSA-N 2 2 323.481 1.427 10 0 DDAELP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000170833852 162195641 /nfs/dbraw/zinc/19/56/41/162195641.db2.gz MQSDIGNPXCAXKA-OAHLLOKOSA-N 2 2 313.405 1.718 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000247271242 408442241 /nfs/dbraw/zinc/44/22/41/408442241.db2.gz JXNNROGYCROKSR-RBSFLKMASA-N 2 2 319.453 1.578 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000247271242 408442249 /nfs/dbraw/zinc/44/22/49/408442249.db2.gz JXNNROGYCROKSR-RBSFLKMASA-N 2 2 319.453 1.578 10 0 DDAELP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857030 408770779 /nfs/dbraw/zinc/77/07/79/408770779.db2.gz DPSYGPSBUPDVFY-CABCVRRESA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857030 408770781 /nfs/dbraw/zinc/77/07/81/408770781.db2.gz DPSYGPSBUPDVFY-CABCVRRESA-N 2 2 304.438 1.976 10 0 DDAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261753349 163696980 /nfs/dbraw/zinc/69/69/80/163696980.db2.gz QIRRRBIBLQVOGD-CZUORRHYSA-N 2 2 303.406 1.313 10 0 DDAELP COc1cc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000262069836 484261422 /nfs/dbraw/zinc/26/14/22/484261422.db2.gz CBWQSGRKLQNPEF-SKDRFNHKSA-N 2 2 305.205 1.672 10 0 DDAELP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262366995 484269772 /nfs/dbraw/zinc/26/97/72/484269772.db2.gz VUALHQVLLFQQMW-CJNGLKHVSA-N 2 2 313.357 1.184 10 0 DDAELP C[N@H+](C[C@H](O)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000158238612 523087359 /nfs/dbraw/zinc/08/73/59/523087359.db2.gz AGMYIUSLDUIJFB-ZDUSSCGKSA-N 2 2 320.359 1.203 10 0 DDAELP C[N@@H+](C[C@H](O)C(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000158238612 523087369 /nfs/dbraw/zinc/08/73/69/523087369.db2.gz AGMYIUSLDUIJFB-ZDUSSCGKSA-N 2 2 320.359 1.203 10 0 DDAELP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1C(N)=S ZINC000087832381 185232568 /nfs/dbraw/zinc/23/25/68/185232568.db2.gz SMFZKKBKVNWKRS-UHFFFAOYSA-N 2 2 307.463 1.855 10 0 DDAELP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C(N)=S ZINC000087832381 185232569 /nfs/dbraw/zinc/23/25/69/185232569.db2.gz SMFZKKBKVNWKRS-UHFFFAOYSA-N 2 2 307.463 1.855 10 0 DDAELP C[C@H]([NH2+][C@H]1C=CS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000088855813 185267206 /nfs/dbraw/zinc/26/72/06/185267206.db2.gz KILKVAZWCUNJER-JSGCOSHPSA-N 2 2 303.387 1.834 10 0 DDAELP CCn1c[nH+]cc1[C@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000090174296 185285012 /nfs/dbraw/zinc/28/50/12/185285012.db2.gz BWVOURHEOMTVNS-LBPRGKRZSA-N 2 2 306.439 1.182 10 0 DDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172305894 198075734 /nfs/dbraw/zinc/07/57/34/198075734.db2.gz CDGVFHUVYWXUFI-CQSZACIVSA-N 2 2 316.405 1.134 10 0 DDAELP C[C@@]1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC[NH2+]1 ZINC000136196469 354117325 /nfs/dbraw/zinc/11/73/25/354117325.db2.gz HWGZGYUQBIIZPI-INIZCTEOSA-N 2 2 307.463 1.925 10 0 DDAELP CC1CC[NH+](CC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000328632413 354554466 /nfs/dbraw/zinc/55/44/66/354554466.db2.gz RTMROFVNZWYOBH-OAHLLOKOSA-N 2 2 304.438 1.636 10 0 DDAELP Cn1c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nnc1C1CC1 ZINC000328641197 354556863 /nfs/dbraw/zinc/55/68/63/354556863.db2.gz QLJSLYNODXIUGX-LBPRGKRZSA-N 2 2 300.410 1.583 10 0 DDAELP Cn1c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nnc1C1CC1 ZINC000328641197 354556868 /nfs/dbraw/zinc/55/68/68/354556868.db2.gz QLJSLYNODXIUGX-LBPRGKRZSA-N 2 2 300.410 1.583 10 0 DDAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237606863 202302140 /nfs/dbraw/zinc/30/21/40/202302140.db2.gz SFUCVOKOUBYTCR-GJZGRUSLSA-N 2 2 320.437 1.453 10 0 DDAELP CS(=O)(=O)CCC[C@@H]([NH3+])C1([NH+]2CCCCC2)CCCC1 ZINC000091641998 193082799 /nfs/dbraw/zinc/08/27/99/193082799.db2.gz SUKNXALJYISQAX-CQSZACIVSA-N 2 2 302.484 1.937 10 0 DDAELP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695738 193290300 /nfs/dbraw/zinc/29/03/00/193290300.db2.gz LXPLZIGBGRNJOJ-QLFBSQMISA-N 2 2 317.499 1.120 10 0 DDAELP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093695738 193290302 /nfs/dbraw/zinc/29/03/02/193290302.db2.gz LXPLZIGBGRNJOJ-QLFBSQMISA-N 2 2 317.499 1.120 10 0 DDAELP C[C@@H]1SCCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000094478715 193372848 /nfs/dbraw/zinc/37/28/48/193372848.db2.gz QAMPGWZGOYHEBX-HOCLYGCPSA-N 2 2 306.479 1.817 10 0 DDAELP CC1(C)CC(Nc2[nH+]cnc(-n3ccnc3)c2N)CC(C)(C)[NH2+]1 ZINC000040760966 183130599 /nfs/dbraw/zinc/13/05/99/183130599.db2.gz JKVMIGKDYPBMLB-UHFFFAOYSA-N 2 2 315.425 1.966 10 0 DDAELP CC(C)OCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845677 194145679 /nfs/dbraw/zinc/14/56/79/194145679.db2.gz PCVRPKWWFYITOJ-KRWDZBQOSA-N 2 2 313.486 1.138 10 0 DDAELP CC(C)OCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845677 194145682 /nfs/dbraw/zinc/14/56/82/194145682.db2.gz PCVRPKWWFYITOJ-KRWDZBQOSA-N 2 2 313.486 1.138 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000105915170 194167825 /nfs/dbraw/zinc/16/78/25/194167825.db2.gz ZKAHDAHUZHFSRM-SFHVURJKSA-N 2 2 318.465 1.308 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000105915170 194167827 /nfs/dbraw/zinc/16/78/27/194167827.db2.gz ZKAHDAHUZHFSRM-SFHVURJKSA-N 2 2 318.465 1.308 10 0 DDAELP CC[N@@H+]1CC[C@@H](CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061538136 184173014 /nfs/dbraw/zinc/17/30/14/184173014.db2.gz ALVXPPLBOUIEMW-JTQLQIEISA-N 2 2 307.789 1.464 10 0 DDAELP CC[N@H+]1CC[C@@H](CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061538136 184173017 /nfs/dbraw/zinc/17/30/17/184173017.db2.gz ALVXPPLBOUIEMW-JTQLQIEISA-N 2 2 307.789 1.464 10 0 DDAELP CC1CCN(c2[nH+]cnc(NCC[NH+]3CCOCC3)c2N)CC1 ZINC000040733124 134721393 /nfs/dbraw/zinc/72/13/93/134721393.db2.gz DAOSISAGUQFXCH-UHFFFAOYSA-N 2 2 320.441 1.039 10 0 DDAELP CC(C)[NH+](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000047684232 407079999 /nfs/dbraw/zinc/07/99/99/407079999.db2.gz GFQHKXQURRAQMJ-HNNXBMFYSA-N 2 2 314.474 1.125 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000108867973 407391987 /nfs/dbraw/zinc/39/19/87/407391987.db2.gz DNCGFZHVGQECCJ-OAHLLOKOSA-N 2 2 304.438 1.999 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000108867973 407391988 /nfs/dbraw/zinc/39/19/88/407391988.db2.gz DNCGFZHVGQECCJ-OAHLLOKOSA-N 2 2 304.438 1.999 10 0 DDAELP [NH3+]C1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000261750798 407601678 /nfs/dbraw/zinc/60/16/78/407601678.db2.gz FFXHQXVJGSTGAQ-UHFFFAOYSA-N 2 2 304.325 1.458 10 0 DDAELP CCc1nnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1C ZINC000173960552 407909275 /nfs/dbraw/zinc/90/92/75/407909275.db2.gz LZESVULSVMIFAW-UHFFFAOYSA-N 2 2 321.469 1.454 10 0 DDAELP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730543 407909983 /nfs/dbraw/zinc/90/99/83/407909983.db2.gz BMEANIPSGXILJB-OLZOCXBDSA-N 2 2 301.381 1.174 10 0 DDAELP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730543 407909990 /nfs/dbraw/zinc/90/99/90/407909990.db2.gz BMEANIPSGXILJB-OLZOCXBDSA-N 2 2 301.381 1.174 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270684 408085166 /nfs/dbraw/zinc/08/51/66/408085166.db2.gz SDOLIRQLIJMZRY-WMLDXEAASA-N 3 2 323.868 1.474 10 0 DDAELP C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888870 408127576 /nfs/dbraw/zinc/12/75/76/408127576.db2.gz JTZOYLXJHVCREF-CYBMUJFWSA-N 2 2 312.373 1.672 10 0 DDAELP C[C@@H]([NH2+]CCCS(N)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890123 408129173 /nfs/dbraw/zinc/12/91/73/408129173.db2.gz GIPIRCDGUVYGDZ-GFCCVEGCSA-N 2 2 308.407 1.202 10 0 DDAELP CC[N@H+](CC(=O)[O-])C1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000263454041 408143274 /nfs/dbraw/zinc/14/32/74/408143274.db2.gz AJKAINALLXBFNF-UHFFFAOYSA-N 2 2 311.470 1.776 10 0 DDAELP CC[N@@H+](CC(=O)[O-])C1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000263454041 408143278 /nfs/dbraw/zinc/14/32/78/408143278.db2.gz AJKAINALLXBFNF-UHFFFAOYSA-N 2 2 311.470 1.776 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CC13CC[NH2+]CC3)C2 ZINC000137243514 408151232 /nfs/dbraw/zinc/15/12/32/408151232.db2.gz MWOMWJRILMAZLO-CYBMUJFWSA-N 2 2 316.449 1.818 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000246308440 408216353 /nfs/dbraw/zinc/21/63/53/408216353.db2.gz VYBBVFVAWFZELN-JKSUJKDBSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000246308440 408216359 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C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000247474333 408475887 /nfs/dbraw/zinc/47/58/87/408475887.db2.gz RZSPIKPURFFACL-HIFRSBDPSA-N 2 2 311.389 1.576 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)CCO2)n1 ZINC000162974381 408749217 /nfs/dbraw/zinc/74/92/17/408749217.db2.gz RETGQKGFQDUGGJ-DLBZAZTESA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000162974381 408749224 /nfs/dbraw/zinc/74/92/24/408749224.db2.gz RETGQKGFQDUGGJ-DLBZAZTESA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CCO2)n1 ZINC000162974381 408749227 /nfs/dbraw/zinc/74/92/27/408749227.db2.gz RETGQKGFQDUGGJ-DLBZAZTESA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)CCO2)n1 ZINC000162974381 408749233 /nfs/dbraw/zinc/74/92/33/408749233.db2.gz RETGQKGFQDUGGJ-DLBZAZTESA-N 2 2 306.454 1.685 10 0 DDAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583616521 422198849 /nfs/dbraw/zinc/19/88/49/422198849.db2.gz GKGQYVDJXMDHSR-DOTOQJQBSA-N 2 2 316.453 1.809 10 0 DDAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583616521 422198852 /nfs/dbraw/zinc/19/88/52/422198852.db2.gz GKGQYVDJXMDHSR-DOTOQJQBSA-N 2 2 316.453 1.809 10 0 DDAELP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396398225 483994107 /nfs/dbraw/zinc/99/41/07/483994107.db2.gz WQQDLJITQDVCKO-MAUKXSAKSA-N 2 2 301.434 1.861 10 0 DDAELP C[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396398225 483994116 /nfs/dbraw/zinc/99/41/16/483994116.db2.gz WQQDLJITQDVCKO-MAUKXSAKSA-N 2 2 301.434 1.861 10 0 DDAELP CC[C@H]1CN(c2nc(NN)[nH+]cc2Br)CC[N@@H+]1C ZINC000087877252 185234042 /nfs/dbraw/zinc/23/40/42/185234042.db2.gz GTFYUJSRRNZFRP-QMMMGPOBSA-N 2 2 315.219 1.055 10 0 DDAELP CC[C@H]1CN(c2nc(NN)[nH+]cc2Br)CC[N@H+]1C ZINC000087877252 185234043 /nfs/dbraw/zinc/23/40/43/185234043.db2.gz GTFYUJSRRNZFRP-QMMMGPOBSA-N 2 2 315.219 1.055 10 0 DDAELP O=C(Nc1cccc(Cl)c1-n1cc[nH+]c1)[C@@H]1COCC[NH2+]1 ZINC000088358249 185246830 /nfs/dbraw/zinc/24/68/30/185246830.db2.gz HUZIUOGSJIKHBC-LBPRGKRZSA-N 2 2 306.753 1.453 10 0 DDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2CC)[C@H](C)C1 ZINC000253295702 282214455 /nfs/dbraw/zinc/21/44/55/282214455.db2.gz HEGARLXHEBYOQS-GDBMZVCRSA-N 2 2 323.485 1.833 10 0 DDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2CC)[C@H](C)C1 ZINC000253295702 282214460 /nfs/dbraw/zinc/21/44/60/282214460.db2.gz HEGARLXHEBYOQS-GDBMZVCRSA-N 2 2 323.485 1.833 10 0 DDAELP CCn1c[nH+]cc1[C@@H](C[NH3+])N1CCN(c2nccs2)CC1 ZINC000090174294 185285072 /nfs/dbraw/zinc/28/50/72/185285072.db2.gz BWVOURHEOMTVNS-GFCCVEGCSA-N 2 2 306.439 1.182 10 0 DDAELP Brc1ccc(C[NH+]2CCN(C3C[NH2+]C3)CC2)s1 ZINC000090306774 185290344 /nfs/dbraw/zinc/29/03/44/185290344.db2.gz WUXRDRXBXKLFQI-UHFFFAOYSA-N 2 2 316.268 1.600 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000092713941 185335854 /nfs/dbraw/zinc/33/58/54/185335854.db2.gz SCLBUEHYLZZQBH-RYUDHWBXSA-N 2 2 307.360 1.647 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](n2cc[nH+]c2)C1 ZINC000616678552 362777621 /nfs/dbraw/zinc/77/76/21/362777621.db2.gz IZRGRHYEWLOFDD-ZDUSSCGKSA-N 2 2 310.398 1.629 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](n2cc[nH+]c2)C1 ZINC000616678552 362777624 /nfs/dbraw/zinc/77/76/24/362777624.db2.gz IZRGRHYEWLOFDD-ZDUSSCGKSA-N 2 2 310.398 1.629 10 0 DDAELP Cn1c[nH+]c([C@@H]2CN(C(=O)Cc3ccc4c(c3)CCC4)C[C@H]2[NH3+])c1 ZINC000685942679 539566468 /nfs/dbraw/zinc/56/64/68/539566468.db2.gz LSMLGEMXMGTFFQ-IAGOWNOFSA-N 2 2 324.428 1.405 10 0 DDAELP CC[N@H+](CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)C1CC1 ZINC000152438761 186073430 /nfs/dbraw/zinc/07/34/30/186073430.db2.gz PMFXYHRBBJGGRL-UHFFFAOYSA-N 2 2 322.478 1.580 10 0 DDAELP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)C1CC1 ZINC000152438761 186073432 /nfs/dbraw/zinc/07/34/32/186073432.db2.gz PMFXYHRBBJGGRL-UHFFFAOYSA-N 2 2 322.478 1.580 10 0 DDAELP Fc1cccc(Cn2c[nH+]c3c2CCNC32CC[NH2+]CC2)c1 ZINC000096032947 283014741 /nfs/dbraw/zinc/01/47/41/283014741.db2.gz ZYYSOZWDADAQQX-UHFFFAOYSA-N 2 2 300.381 1.795 10 0 DDAELP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269660 192019220 /nfs/dbraw/zinc/01/92/20/192019220.db2.gz RBWVKPGKCFNPSP-WCQYABFASA-N 2 2 308.451 1.537 10 0 DDAELP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269660 192019221 /nfs/dbraw/zinc/01/92/21/192019221.db2.gz RBWVKPGKCFNPSP-WCQYABFASA-N 2 2 308.451 1.537 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000180481318 199165465 /nfs/dbraw/zinc/16/54/65/199165465.db2.gz SMDKICQJNCGHGM-GFCCVEGCSA-N 2 2 323.397 1.277 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000180481318 199165467 /nfs/dbraw/zinc/16/54/67/199165467.db2.gz SMDKICQJNCGHGM-GFCCVEGCSA-N 2 2 323.397 1.277 10 0 DDAELP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1Cl ZINC000091668024 193087637 /nfs/dbraw/zinc/08/76/37/193087637.db2.gz UZZRFMPUECRCMO-DVOMOZLQSA-N 2 2 310.825 1.826 10 0 DDAELP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1Cl ZINC000091668024 193087639 /nfs/dbraw/zinc/08/76/39/193087639.db2.gz UZZRFMPUECRCMO-DVOMOZLQSA-N 2 2 310.825 1.826 10 0 DDAELP CCC[NH2+][C@H](Cc1c(Br)c(C)nn1C)C[NH+](C)C ZINC000091720113 193097191 /nfs/dbraw/zinc/09/71/91/193097191.db2.gz SUHSZDQJNYXEDX-LLVKDONJSA-N 2 2 317.275 1.963 10 0 DDAELP CC1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000333771276 249100177 /nfs/dbraw/zinc/10/01/77/249100177.db2.gz CAXXJSVGPFCONF-CQSZACIVSA-N 2 2 305.426 1.447 10 0 DDAELP CN(c1nc[nH+]c(NC2CCCC2)c1N)C1CC[NH+](C)CC1 ZINC000040800429 183135346 /nfs/dbraw/zinc/13/53/46/183135346.db2.gz VJMRUZRJQJZHOS-UHFFFAOYSA-N 2 2 304.442 1.944 10 0 DDAELP CN(c1[nH+]cnc(NC2CCCC2)c1N)C1CC[NH+](C)CC1 ZINC000040800429 183135348 /nfs/dbraw/zinc/13/53/48/183135348.db2.gz VJMRUZRJQJZHOS-UHFFFAOYSA-N 2 2 304.442 1.944 10 0 DDAELP CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C1CC[NH+](C)CC1 ZINC000061535178 184172687 /nfs/dbraw/zinc/17/26/87/184172687.db2.gz TYPJAZNLROWFMC-UHFFFAOYSA-N 2 2 307.789 1.241 10 0 DDAELP CC(C)COc1ccccc1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142962 184393210 /nfs/dbraw/zinc/39/32/10/184393210.db2.gz CFNYWUDMZWGHBO-UHFFFAOYSA-N 2 2 319.449 1.828 10 0 DDAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261610132 207365585 /nfs/dbraw/zinc/36/55/85/207365585.db2.gz BXKHXGVFVQZFEP-MRXNPFEDSA-N 2 2 319.449 1.713 10 0 DDAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261610132 207365592 /nfs/dbraw/zinc/36/55/92/207365592.db2.gz BXKHXGVFVQZFEP-MRXNPFEDSA-N 2 2 319.449 1.713 10 0 DDAELP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863454 407356460 /nfs/dbraw/zinc/35/64/60/407356460.db2.gz VKMHEDKBPWNPME-UHFFFAOYSA-N 2 2 321.469 1.194 10 0 DDAELP CC(C)NC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863454 407356461 /nfs/dbraw/zinc/35/64/61/407356461.db2.gz VKMHEDKBPWNPME-UHFFFAOYSA-N 2 2 321.469 1.194 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000178751142 407582576 /nfs/dbraw/zinc/58/25/76/407582576.db2.gz HUQZOCJEMZHIIE-CQSZACIVSA-N 2 2 312.377 1.192 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n2nccc2[nH]1 ZINC000178751142 407582587 /nfs/dbraw/zinc/58/25/87/407582587.db2.gz HUQZOCJEMZHIIE-CQSZACIVSA-N 2 2 312.377 1.192 10 0 DDAELP CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000262273782 407781821 /nfs/dbraw/zinc/78/18/21/407781821.db2.gz SVFXVLGEPXJKAY-AWEZNQCLSA-N 2 2 301.394 1.931 10 0 DDAELP CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000262273782 407781826 /nfs/dbraw/zinc/78/18/26/407781826.db2.gz SVFXVLGEPXJKAY-AWEZNQCLSA-N 2 2 301.394 1.931 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000180621561 407902947 /nfs/dbraw/zinc/90/29/47/407902947.db2.gz DPDWPBQVLJJLKO-JKSUJKDBSA-N 2 2 306.454 1.803 10 0 DDAELP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1N1CCOCC1 ZINC000245642346 408036616 /nfs/dbraw/zinc/03/66/16/408036616.db2.gz DRZOJKGJCKRBJD-GDBMZVCRSA-N 2 2 300.406 1.487 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1N1CCOCC1 ZINC000245642346 408036631 /nfs/dbraw/zinc/03/66/31/408036631.db2.gz DRZOJKGJCKRBJD-GDBMZVCRSA-N 2 2 300.406 1.487 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263227159 408064953 /nfs/dbraw/zinc/06/49/53/408064953.db2.gz MYVCAQSAOXNVID-VXGBXAGGSA-N 2 2 312.364 1.606 10 0 DDAELP CC(C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121490309 408222829 /nfs/dbraw/zinc/22/28/29/408222829.db2.gz NIEMUJNESAKZFS-VPSFDDGASA-N 2 2 322.497 1.983 10 0 DDAELP CC(C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121490309 408222835 /nfs/dbraw/zinc/22/28/35/408222835.db2.gz NIEMUJNESAKZFS-VPSFDDGASA-N 2 2 322.497 1.983 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247190141 408423063 /nfs/dbraw/zinc/42/30/63/408423063.db2.gz SPIPHTMKJIJIDS-CABCVRRESA-N 2 2 319.453 1.917 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247190141 408423070 /nfs/dbraw/zinc/42/30/70/408423070.db2.gz SPIPHTMKJIJIDS-CABCVRRESA-N 2 2 319.453 1.917 10 0 DDAELP Cn1c[nH+]cc1CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177053753 408508489 /nfs/dbraw/zinc/50/84/89/408508489.db2.gz LZCMMTYJXSEOCK-QGZVFWFLSA-N 2 2 300.406 1.271 10 0 DDAELP CCC[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000161733594 408633571 /nfs/dbraw/zinc/63/35/71/408633571.db2.gz LILLDOPSSYPJDD-AWEZNQCLSA-N 2 2 309.479 1.953 10 0 DDAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177487308 408637183 /nfs/dbraw/zinc/63/71/83/408637183.db2.gz WXRVJXVXIDIDNJ-LSDHHAIUSA-N 2 2 307.442 1.787 10 0 DDAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177487308 408637190 /nfs/dbraw/zinc/63/71/90/408637190.db2.gz WXRVJXVXIDIDNJ-LSDHHAIUSA-N 2 2 307.442 1.787 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000249157463 408701316 /nfs/dbraw/zinc/70/13/16/408701316.db2.gz XMQFGTNUSVZIFF-BFHYXJOUSA-N 2 2 305.426 1.502 10 0 DDAELP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000194697787 408793344 /nfs/dbraw/zinc/79/33/44/408793344.db2.gz VFDOSGYROOPWFV-YOEHRIQHSA-N 2 2 321.465 1.040 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000178298192 408801080 /nfs/dbraw/zinc/80/10/80/408801080.db2.gz WNICHRMYDTXBAG-LLVKDONJSA-N 2 2 304.316 1.334 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000178298192 408801083 /nfs/dbraw/zinc/80/10/83/408801083.db2.gz WNICHRMYDTXBAG-LLVKDONJSA-N 2 2 304.316 1.334 10 0 DDAELP Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000129592429 196060887 /nfs/dbraw/zinc/06/08/87/196060887.db2.gz YBKIEWMQHUZQQN-CQSZACIVSA-N 2 2 315.421 1.981 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257736 222194772 /nfs/dbraw/zinc/19/47/72/222194772.db2.gz GBELWMHRGKISGN-UONOGXRCSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257736 222194778 /nfs/dbraw/zinc/19/47/78/222194778.db2.gz GBELWMHRGKISGN-UONOGXRCSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257736 222194781 /nfs/dbraw/zinc/19/47/81/222194781.db2.gz GBELWMHRGKISGN-UONOGXRCSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000195257736 222194785 /nfs/dbraw/zinc/19/47/85/222194785.db2.gz GBELWMHRGKISGN-UONOGXRCSA-N 2 2 322.478 1.436 10 0 DDAELP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000644120906 423501097 /nfs/dbraw/zinc/50/10/97/423501097.db2.gz TYJUMTBVWBZDCT-KGLIPLIRSA-N 2 2 306.410 1.430 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)n1C ZINC000178290307 279173039 /nfs/dbraw/zinc/17/30/39/279173039.db2.gz SLDOCQRZSNAMSY-AWEZNQCLSA-N 2 2 300.410 1.862 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000178290307 279173041 /nfs/dbraw/zinc/17/30/41/279173041.db2.gz SLDOCQRZSNAMSY-AWEZNQCLSA-N 2 2 300.410 1.862 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119290826 281094965 /nfs/dbraw/zinc/09/49/65/281094965.db2.gz BTJQVQQFAXYRNT-RBSFLKMASA-N 2 2 302.422 1.531 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119290826 281094967 /nfs/dbraw/zinc/09/49/67/281094967.db2.gz BTJQVQQFAXYRNT-RBSFLKMASA-N 2 2 302.422 1.531 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000262165125 484264953 /nfs/dbraw/zinc/26/49/53/484264953.db2.gz UGBRMYGXALKWFB-BXKDBHETSA-N 2 2 319.630 1.772 10 0 DDAELP O[C@H](C[NH2+]CC[NH2+]Cc1ccccc1)COc1ccccc1 ZINC000146209683 354159404 /nfs/dbraw/zinc/15/94/04/354159404.db2.gz UPMONSURRUVNLD-QGZVFWFLSA-N 2 2 300.402 1.806 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000178338796 198851689 /nfs/dbraw/zinc/85/16/89/198851689.db2.gz HUSKSWLORIJKRD-UONOGXRCSA-N 2 2 307.442 1.580 10 0 DDAELP C[NH2+]CCc1cn(Cc2c(Br)c(C)nn2C)c[nH+]1 ZINC000094529797 193377399 /nfs/dbraw/zinc/37/73/99/193377399.db2.gz LJFGEBURWIZSNG-UHFFFAOYSA-N 2 2 312.215 1.498 10 0 DDAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1)N1CC[NH2+]CC1 ZINC000040508444 183085908 /nfs/dbraw/zinc/08/59/08/183085908.db2.gz YJDCTYHJRRUOEN-ZDUSSCGKSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1)N1CC[NH2+]CC1 ZINC000040508444 183085910 /nfs/dbraw/zinc/08/59/10/183085910.db2.gz YJDCTYHJRRUOEN-ZDUSSCGKSA-N 2 2 308.813 1.131 10 0 DDAELP C[N@H+](CCc1ccncc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915834 194168980 /nfs/dbraw/zinc/16/89/80/194168980.db2.gz DCMHCTSNVKOKRG-UHFFFAOYSA-N 2 2 313.449 1.917 10 0 DDAELP C[N@@H+](CCc1ccncc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915834 194168982 /nfs/dbraw/zinc/16/89/82/194168982.db2.gz DCMHCTSNVKOKRG-UHFFFAOYSA-N 2 2 313.449 1.917 10 0 DDAELP CC[C@H]([NH3+])[C@H](c1ccsc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977883 184264477 /nfs/dbraw/zinc/26/44/77/184264477.db2.gz MNVDVVXOGNCETL-JYJNAYRXSA-N 2 2 309.479 1.933 10 0 DDAELP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262393433 407823596 /nfs/dbraw/zinc/82/35/96/407823596.db2.gz BNKYVMXXFCNODW-RCBQFDQVSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262393433 407823598 /nfs/dbraw/zinc/82/35/98/407823598.db2.gz BNKYVMXXFCNODW-RCBQFDQVSA-N 2 2 303.406 1.693 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000262950928 407984309 /nfs/dbraw/zinc/98/43/09/407984309.db2.gz JRDKVLLFMCAHII-CQSZACIVSA-N 2 2 315.408 1.708 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000263283160 408089859 /nfs/dbraw/zinc/08/98/59/408089859.db2.gz UOKIOHNRGPXMOT-BXKDBHETSA-N 2 2 319.630 1.772 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1C[C@H](C)O ZINC000247694997 408504834 /nfs/dbraw/zinc/50/48/34/408504834.db2.gz TVGNKFQDWYBJQL-GJZGRUSLSA-N 2 2 302.422 1.611 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1C[C@H](C)O ZINC000247694997 408504840 /nfs/dbraw/zinc/50/48/40/408504840.db2.gz TVGNKFQDWYBJQL-GJZGRUSLSA-N 2 2 302.422 1.611 10 0 DDAELP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515781 163325751 /nfs/dbraw/zinc/32/57/51/163325751.db2.gz AHMNZVHFOKIFJZ-HUUCEWRRSA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515781 163325753 /nfs/dbraw/zinc/32/57/53/163325753.db2.gz AHMNZVHFOKIFJZ-HUUCEWRRSA-N 2 2 304.438 1.976 10 0 DDAELP Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657730705 424492247 /nfs/dbraw/zinc/49/22/47/424492247.db2.gz IUWAARMNFQTLOH-XJKSGUPXSA-N 2 2 311.389 1.935 10 0 DDAELP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262044775 277386263 /nfs/dbraw/zinc/38/62/63/277386263.db2.gz YYHINDFHIFSCGU-RCCFBDPRSA-N 3 2 309.498 1.854 10 0 DDAELP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173416151 279479107 /nfs/dbraw/zinc/47/91/07/279479107.db2.gz ZOGYXJAYFTWBCN-WBVHZDCISA-N 2 2 323.481 1.286 10 0 DDAELP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CN3CCOCC3)[nH]c21 ZINC000067872430 281263596 /nfs/dbraw/zinc/26/35/96/281263596.db2.gz SUZCGYKXCMDUFJ-CQSZACIVSA-N 2 2 302.422 1.724 10 0 DDAELP COc1ccccc1[C@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[NH2+]1 ZINC000886039499 708686749 /nfs/dbraw/zinc/68/67/49/708686749.db2.gz LFACYTWSSKTAIT-WUKHSURWSA-N 2 2 303.406 1.286 10 0 DDAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000077121347 185110695 /nfs/dbraw/zinc/11/06/95/185110695.db2.gz LRWPPMIEAYOOAW-INIZCTEOSA-N 2 2 302.422 1.692 10 0 DDAELP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173329436 535144974 /nfs/dbraw/zinc/14/49/74/535144974.db2.gz SIKUURUEDQLMAY-MRXNPFEDSA-N 2 2 309.454 1.040 10 0 DDAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172305898 198076399 /nfs/dbraw/zinc/07/63/99/198076399.db2.gz CDGVFHUVYWXUFI-AWEZNQCLSA-N 2 2 316.405 1.134 10 0 DDAELP CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080627659 192175166 /nfs/dbraw/zinc/17/51/66/192175166.db2.gz KBNDWNFBIPHGOB-CYBMUJFWSA-N 2 2 308.407 1.559 10 0 DDAELP [NH3+][C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000085367280 192497233 /nfs/dbraw/zinc/49/72/33/192497233.db2.gz QTQJELQGBSETJF-GJZGRUSLSA-N 2 2 307.463 1.910 10 0 DDAELP C[N@H+](CC(=O)NC(=O)c1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093874352 193322558 /nfs/dbraw/zinc/32/25/58/193322558.db2.gz LMWUEAQIDQYDFV-UHFFFAOYSA-N 2 2 311.813 1.513 10 0 DDAELP C[N@@H+](CC(=O)NC(=O)c1ccccc1Cl)CC(C)(C)C[NH3+] ZINC000093874352 193322559 /nfs/dbraw/zinc/32/25/59/193322559.db2.gz LMWUEAQIDQYDFV-UHFFFAOYSA-N 2 2 311.813 1.513 10 0 DDAELP CC[NH2+]Cc1cc(F)c(OC[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000094346762 193363173 /nfs/dbraw/zinc/36/31/73/193363173.db2.gz UYVGVPMWGOEPKC-GFCCVEGCSA-N 2 2 300.349 1.784 10 0 DDAELP CC[NH2+]Cc1cc(F)c(OC[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000094346762 193363174 /nfs/dbraw/zinc/36/31/74/193363174.db2.gz UYVGVPMWGOEPKC-GFCCVEGCSA-N 2 2 300.349 1.784 10 0 DDAELP C[NH2+]Cc1ccc(C[NH+]2CCN(c3nccs3)CC2)nc1 ZINC000094756042 193395836 /nfs/dbraw/zinc/39/58/36/193395836.db2.gz AQSFZWSKMBGFCG-UHFFFAOYSA-N 2 2 303.435 1.580 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969500 183391412 /nfs/dbraw/zinc/39/14/12/183391412.db2.gz XCLIQGPSKLZEEN-ZNMIVQPWSA-N 2 2 300.443 1.617 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969500 183391414 /nfs/dbraw/zinc/39/14/14/183391414.db2.gz XCLIQGPSKLZEEN-ZNMIVQPWSA-N 2 2 300.443 1.617 10 0 DDAELP [NH3+]Cc1ccc(F)cc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000069401584 184512127 /nfs/dbraw/zinc/51/21/27/184512127.db2.gz KKEQWFOHCDIRKJ-UHFFFAOYSA-N 2 2 305.319 1.964 10 0 DDAELP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](CC)CC)CC2)cn1 ZINC000105830748 407355524 /nfs/dbraw/zinc/35/55/24/407355524.db2.gz ISGBZWFYINZTOR-UHFFFAOYSA-N 2 2 321.469 1.279 10 0 DDAELP CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897750 407357668 /nfs/dbraw/zinc/35/76/68/407357668.db2.gz QNWLPEIUVPEKTA-CQSZACIVSA-N 2 2 313.467 1.907 10 0 DDAELP CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897750 407357669 /nfs/dbraw/zinc/35/76/69/407357669.db2.gz QNWLPEIUVPEKTA-CQSZACIVSA-N 2 2 313.467 1.907 10 0 DDAELP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261821683 407629142 /nfs/dbraw/zinc/62/91/42/407629142.db2.gz SGYLXZIKVOBCOF-YUELXQCFSA-N 2 2 316.405 1.951 10 0 DDAELP CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261821683 407629147 /nfs/dbraw/zinc/62/91/47/407629147.db2.gz SGYLXZIKVOBCOF-YUELXQCFSA-N 2 2 316.405 1.951 10 0 DDAELP COC(=O)COc1c(C)cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000262023769 407714537 /nfs/dbraw/zinc/71/45/37/407714537.db2.gz NKSAPXACXXJDSN-HIFRSBDPSA-N 2 2 306.406 1.634 10 0 DDAELP COC(=O)COc1c(C)cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000262023769 407714545 /nfs/dbraw/zinc/71/45/45/407714545.db2.gz NKSAPXACXXJDSN-HIFRSBDPSA-N 2 2 306.406 1.634 10 0 DDAELP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000262331296 407804744 /nfs/dbraw/zinc/80/47/44/407804744.db2.gz SMYKPKPCYDAVNT-MGPQQGTHSA-N 2 2 323.462 1.365 10 0 DDAELP CCOCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1CC ZINC000173680776 407894867 /nfs/dbraw/zinc/89/48/67/407894867.db2.gz JOJGKVVYSNAPGF-QGZVFWFLSA-N 2 2 313.486 1.141 10 0 DDAELP CCOCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1CC ZINC000173680776 407894875 /nfs/dbraw/zinc/89/48/75/407894875.db2.gz JOJGKVVYSNAPGF-QGZVFWFLSA-N 2 2 313.486 1.141 10 0 DDAELP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000262710248 407906416 /nfs/dbraw/zinc/90/64/16/407906416.db2.gz PXOIEYMBJLWNKB-BLLLJJGKSA-N 2 2 320.441 1.121 10 0 DDAELP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000262710248 407906419 /nfs/dbraw/zinc/90/64/19/407906419.db2.gz PXOIEYMBJLWNKB-BLLLJJGKSA-N 2 2 320.441 1.121 10 0 DDAELP C[C@H]1CCCN(c2cc(NCC[N@@H+]3CCCOCC3)nc[nH+]2)C1 ZINC000188501127 407949790 /nfs/dbraw/zinc/94/97/90/407949790.db2.gz QVPDEHAFUROLLK-HNNXBMFYSA-N 2 2 319.453 1.847 10 0 DDAELP C[C@H]1CCCN(c2cc(NCC[N@H+]3CCCOCC3)nc[nH+]2)C1 ZINC000188501127 407949791 /nfs/dbraw/zinc/94/97/91/407949791.db2.gz QVPDEHAFUROLLK-HNNXBMFYSA-N 2 2 319.453 1.847 10 0 DDAELP C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000263111956 408028339 /nfs/dbraw/zinc/02/83/39/408028339.db2.gz AHZMNZUKZANVOS-RISCZKNCSA-N 2 2 302.378 1.848 10 0 DDAELP C[N@H+](CC[C@H]1CCOC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000120475984 408131538 /nfs/dbraw/zinc/13/15/38/408131538.db2.gz QZAHKTAKKIPEFH-HNNXBMFYSA-N 2 2 320.437 1.233 10 0 DDAELP C[N@@H+](CC[C@H]1CCOC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000120475984 408131547 /nfs/dbraw/zinc/13/15/47/408131547.db2.gz QZAHKTAKKIPEFH-HNNXBMFYSA-N 2 2 320.437 1.233 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1CC ZINC000168073306 162178754 /nfs/dbraw/zinc/17/87/54/162178754.db2.gz VMIHTRYHCVLQMK-IAGOWNOFSA-N 2 2 319.449 1.646 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1CC ZINC000168073306 162178758 /nfs/dbraw/zinc/17/87/58/162178758.db2.gz VMIHTRYHCVLQMK-IAGOWNOFSA-N 2 2 319.449 1.646 10 0 DDAELP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247779600 408508786 /nfs/dbraw/zinc/50/87/86/408508786.db2.gz ROYVXIVSMORBNO-LSDHHAIUSA-N 2 2 301.394 1.073 10 0 DDAELP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247779600 408508792 /nfs/dbraw/zinc/50/87/92/408508792.db2.gz ROYVXIVSMORBNO-LSDHHAIUSA-N 2 2 301.394 1.073 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247457868 408472040 /nfs/dbraw/zinc/47/20/40/408472040.db2.gz IBXWMBNKLJTONF-HOCLYGCPSA-N 2 2 319.453 1.110 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000247457868 408472046 /nfs/dbraw/zinc/47/20/46/408472046.db2.gz IBXWMBNKLJTONF-HOCLYGCPSA-N 2 2 319.453 1.110 10 0 DDAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177767099 408706233 /nfs/dbraw/zinc/70/62/33/408706233.db2.gz KLFFLFDRUINFDK-HNNXBMFYSA-N 2 2 315.421 1.960 10 0 DDAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177767099 408706238 /nfs/dbraw/zinc/70/62/38/408706238.db2.gz KLFFLFDRUINFDK-HNNXBMFYSA-N 2 2 315.421 1.960 10 0 DDAELP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925569 408772141 /nfs/dbraw/zinc/77/21/41/408772141.db2.gz ZRMMDSIMUONLCN-OLZOCXBDSA-N 2 2 319.409 1.050 10 0 DDAELP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249925569 408772145 /nfs/dbraw/zinc/77/21/45/408772145.db2.gz ZRMMDSIMUONLCN-OLZOCXBDSA-N 2 2 319.409 1.050 10 0 DDAELP CCN(C)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000190855466 163160942 /nfs/dbraw/zinc/16/09/42/163160942.db2.gz LVDDFFOSUSXSLN-MRXNPFEDSA-N 2 2 306.454 1.474 10 0 DDAELP Cc1nc(N2CC[C@H]([NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000302089335 279112444 /nfs/dbraw/zinc/11/24/44/279112444.db2.gz LMXDARDAEQJXQV-AWEZNQCLSA-N 2 2 302.422 1.575 10 0 DDAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540341 307272185 /nfs/dbraw/zinc/27/21/85/307272185.db2.gz OHPXAGSCLDYSHB-UONOGXRCSA-N 2 2 305.426 1.783 10 0 DDAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540341 307272186 /nfs/dbraw/zinc/27/21/86/307272186.db2.gz OHPXAGSCLDYSHB-UONOGXRCSA-N 2 2 305.426 1.783 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000262114688 484262789 /nfs/dbraw/zinc/26/27/89/484262789.db2.gz LBLKMBJUNAIJKU-BXKDBHETSA-N 2 2 319.630 1.772 10 0 DDAELP C[C@H]([NH2+]Cc1cn(C)nc1Br)[C@@H]1CCC[NH2+]C1 ZINC000720665962 699307686 /nfs/dbraw/zinc/30/76/86/699307686.db2.gz OGCAEPYZQLMKPI-VHSXEESVSA-N 2 2 301.232 1.660 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000248648796 282096286 /nfs/dbraw/zinc/09/62/86/282096286.db2.gz KEVDNLZPCLDULB-OLZOCXBDSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000248648796 282096289 /nfs/dbraw/zinc/09/62/89/282096289.db2.gz KEVDNLZPCLDULB-OLZOCXBDSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000248648796 282096293 /nfs/dbraw/zinc/09/62/93/282096293.db2.gz KEVDNLZPCLDULB-OLZOCXBDSA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000248648796 282096297 /nfs/dbraw/zinc/09/62/97/282096297.db2.gz KEVDNLZPCLDULB-OLZOCXBDSA-N 2 2 308.451 1.094 10 0 DDAELP CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088751570 185263881 /nfs/dbraw/zinc/26/38/81/185263881.db2.gz ZEYLVJXJWIIQRC-AWEZNQCLSA-N 2 2 308.407 1.559 10 0 DDAELP CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088751570 185263882 /nfs/dbraw/zinc/26/38/82/185263882.db2.gz ZEYLVJXJWIIQRC-AWEZNQCLSA-N 2 2 308.407 1.559 10 0 DDAELP Brc1ccc(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000090308392 185290146 /nfs/dbraw/zinc/29/01/46/185290146.db2.gz ZCSHQSZFQOJYIN-UHFFFAOYSA-N 2 2 310.239 1.539 10 0 DDAELP CC(C)NC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272949 539570780 /nfs/dbraw/zinc/57/07/80/539570780.db2.gz VZTOQEYTYGMDIK-JQWIXIFHSA-N 2 2 311.455 1.842 10 0 DDAELP CC(C)NC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272949 539570786 /nfs/dbraw/zinc/57/07/86/539570786.db2.gz VZTOQEYTYGMDIK-JQWIXIFHSA-N 2 2 311.455 1.842 10 0 DDAELP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000080645566 192177395 /nfs/dbraw/zinc/17/73/95/192177395.db2.gz TVWAPFYFOZPNBY-UHFFFAOYSA-N 2 2 308.407 1.386 10 0 DDAELP CCN1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@@H]1c1[nH+]ccn1C ZINC000328643355 354558351 /nfs/dbraw/zinc/55/83/51/354558351.db2.gz YURUDTONSMDRCS-OAHLLOKOSA-N 2 2 319.453 1.110 10 0 DDAELP CCN1CCN(C(=O)C[N@@H+](CC)C2CC2)C[C@@H]1c1[nH+]ccn1C ZINC000328643355 354558353 /nfs/dbraw/zinc/55/83/53/354558353.db2.gz YURUDTONSMDRCS-OAHLLOKOSA-N 2 2 319.453 1.110 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000634999545 422760636 /nfs/dbraw/zinc/76/06/36/422760636.db2.gz WAUMHOMDUIZXAG-WPRPVWTQSA-N 2 2 301.232 1.518 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000634999545 422760630 /nfs/dbraw/zinc/76/06/30/422760630.db2.gz WAUMHOMDUIZXAG-WPRPVWTQSA-N 2 2 301.232 1.518 10 0 DDAELP COc1cc(C[NH3+])cc(Cl)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092053983 193149590 /nfs/dbraw/zinc/14/95/90/193149590.db2.gz DMUHGXMEWADRSK-NSHDSACASA-N 2 2 300.786 1.517 10 0 DDAELP COc1cc(C[NH3+])cc(Cl)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092053983 193149592 /nfs/dbraw/zinc/14/95/92/193149592.db2.gz DMUHGXMEWADRSK-NSHDSACASA-N 2 2 300.786 1.517 10 0 DDAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1)N1CC[NH2+]CC1 ZINC000040508443 183086072 /nfs/dbraw/zinc/08/60/72/183086072.db2.gz YJDCTYHJRRUOEN-CYBMUJFWSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1)N1CC[NH2+]CC1 ZINC000040508443 183086075 /nfs/dbraw/zinc/08/60/75/183086075.db2.gz YJDCTYHJRRUOEN-CYBMUJFWSA-N 2 2 308.813 1.131 10 0 DDAELP C[C@@H]1C[C@H](C[NH3+])CN1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000261818962 407625831 /nfs/dbraw/zinc/62/58/31/407625831.db2.gz HDTAIDMHPQEQET-CHWSQXEVSA-N 2 2 308.389 1.989 10 0 DDAELP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000262007100 407708112 /nfs/dbraw/zinc/70/81/12/407708112.db2.gz VFHQRIDOPCCRRX-BBWFWOEESA-N 3 2 318.465 1.509 10 0 DDAELP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262044766 407722161 /nfs/dbraw/zinc/72/21/61/407722161.db2.gz YYHINDFHIFSCGU-KSZLIROESA-N 3 2 309.498 1.854 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000262950927 407981941 /nfs/dbraw/zinc/98/19/41/407981941.db2.gz JRDKVLLFMCAHII-AWEZNQCLSA-N 2 2 315.408 1.708 10 0 DDAELP COc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263236983 408069903 /nfs/dbraw/zinc/06/99/03/408069903.db2.gz OEPNHWGADUSVRS-JQWIXIFHSA-N 2 2 315.211 1.128 10 0 DDAELP COCc1noc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000182329492 408129856 /nfs/dbraw/zinc/12/98/56/408129856.db2.gz ALLTUXHIHICTPJ-ZDUSSCGKSA-N 2 2 317.393 1.853 10 0 DDAELP COCc1noc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000182329492 408129862 /nfs/dbraw/zinc/12/98/62/408129862.db2.gz ALLTUXHIHICTPJ-ZDUSSCGKSA-N 2 2 317.393 1.853 10 0 DDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000246611264 408304284 /nfs/dbraw/zinc/30/42/84/408304284.db2.gz DMPBIQNFVXKZOA-LSDHHAIUSA-N 2 2 307.442 1.643 10 0 DDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000246611264 408304289 /nfs/dbraw/zinc/30/42/89/408304289.db2.gz DMPBIQNFVXKZOA-LSDHHAIUSA-N 2 2 307.442 1.643 10 0 DDAELP C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000183050801 408313799 /nfs/dbraw/zinc/31/37/99/408313799.db2.gz GYLHJHKUKKXRMK-QWHCGFSZSA-N 2 2 307.419 1.956 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246893913 408361437 /nfs/dbraw/zinc/36/14/37/408361437.db2.gz HIHHJGYIIHWMDK-MTSZKFMLSA-N 2 2 323.481 1.427 10 0 DDAELP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000177129770 408528111 /nfs/dbraw/zinc/52/81/11/408528111.db2.gz XRNPAGGHQUGKDL-HUUCEWRRSA-N 2 2 315.421 1.154 10 0 DDAELP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000177129770 408528114 /nfs/dbraw/zinc/52/81/14/408528114.db2.gz XRNPAGGHQUGKDL-HUUCEWRRSA-N 2 2 315.421 1.154 10 0 DDAELP CC[C@H]1CN(CCCCn2cc[nH+]c2C)CC[N@@H+]1C[C@@H](C)O ZINC000161671796 408624780 /nfs/dbraw/zinc/62/47/80/408624780.db2.gz AHLZGPZLIJIJOR-WBVHZDCISA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@H]1CN(CCCCn2cc[nH+]c2C)CC[N@H+]1C[C@@H](C)O ZINC000161671796 408624789 /nfs/dbraw/zinc/62/47/89/408624789.db2.gz AHLZGPZLIJIJOR-WBVHZDCISA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1C[C@@H](C)O ZINC000161671796 408624794 /nfs/dbraw/zinc/62/47/94/408624794.db2.gz AHLZGPZLIJIJOR-WBVHZDCISA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1C[C@@H](C)O ZINC000161671796 408624801 /nfs/dbraw/zinc/62/48/01/408624801.db2.gz AHLZGPZLIJIJOR-WBVHZDCISA-N 2 2 308.470 1.749 10 0 DDAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000178230604 408791257 /nfs/dbraw/zinc/79/12/57/408791257.db2.gz AOAPXJGRMGXKIF-CQSZACIVSA-N 2 2 311.451 1.639 10 0 DDAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000178230604 408791260 /nfs/dbraw/zinc/79/12/60/408791260.db2.gz AOAPXJGRMGXKIF-CQSZACIVSA-N 2 2 311.451 1.639 10 0 DDAELP Cc1noc([C@@H](C)N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000162972194 408749074 /nfs/dbraw/zinc/74/90/74/408749074.db2.gz MIFJJAIHCMQQJE-UKRRQHHQSA-N 2 2 307.442 1.541 10 0 DDAELP Cc1noc([C@@H](C)N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000162972194 408749079 /nfs/dbraw/zinc/74/90/79/408749079.db2.gz MIFJJAIHCMQQJE-UKRRQHHQSA-N 2 2 307.442 1.541 10 0 DDAELP C[NH2+]CCCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000178887847 484110238 /nfs/dbraw/zinc/11/02/38/484110238.db2.gz UNTYYGPLAKZOKT-UHFFFAOYSA-N 2 2 321.469 1.282 10 0 DDAELP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COCc1ccccc1 ZINC000720388004 699305671 /nfs/dbraw/zinc/30/56/71/699305671.db2.gz AFAHZAPLMAXEAV-FGTMMUONSA-N 2 2 304.434 1.733 10 0 DDAELP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COCc1ccccc1 ZINC000720388004 699305673 /nfs/dbraw/zinc/30/56/73/699305673.db2.gz AFAHZAPLMAXEAV-FGTMMUONSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000720388004 699305675 /nfs/dbraw/zinc/30/56/75/699305675.db2.gz AFAHZAPLMAXEAV-FGTMMUONSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)COCc1ccccc1 ZINC000720388004 699305677 /nfs/dbraw/zinc/30/56/77/699305677.db2.gz AFAHZAPLMAXEAV-FGTMMUONSA-N 2 2 304.434 1.733 10 0 DDAELP O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000088056831 185238346 /nfs/dbraw/zinc/23/83/46/185238346.db2.gz RMOBVMSAMIQCDU-OAHLLOKOSA-N 2 2 309.435 1.781 10 0 DDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000174609197 198358670 /nfs/dbraw/zinc/35/86/70/198358670.db2.gz UKZKTDJPSHXEMT-LSDHHAIUSA-N 2 2 305.426 1.541 10 0 DDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000174609197 198358671 /nfs/dbraw/zinc/35/86/71/198358671.db2.gz UKZKTDJPSHXEMT-LSDHHAIUSA-N 2 2 305.426 1.541 10 0 DDAELP CC(C)Cn1ncnc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328637829 354555999 /nfs/dbraw/zinc/55/59/99/354555999.db2.gz OWCFIOVYUFGPJU-CQSZACIVSA-N 2 2 302.426 1.825 10 0 DDAELP CC(C)Cn1ncnc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328637829 354556002 /nfs/dbraw/zinc/55/60/02/354556002.db2.gz OWCFIOVYUFGPJU-CQSZACIVSA-N 2 2 302.426 1.825 10 0 DDAELP [NH3+]CC[NH+]1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000086995772 192607788 /nfs/dbraw/zinc/60/77/88/192607788.db2.gz KZFOAETUBNZYQS-UHFFFAOYSA-N 2 2 301.312 1.257 10 0 DDAELP COc1cc(CC[NH3+])cc(Cl)c1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092060561 193149572 /nfs/dbraw/zinc/14/95/72/193149572.db2.gz VSGWWFCWEIFTNW-LBPRGKRZSA-N 2 2 314.813 1.559 10 0 DDAELP COc1cc(CC[NH3+])cc(Cl)c1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092060561 193149574 /nfs/dbraw/zinc/14/95/74/193149574.db2.gz VSGWWFCWEIFTNW-LBPRGKRZSA-N 2 2 314.813 1.559 10 0 DDAELP Cc1ccc([C@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175971 193212067 /nfs/dbraw/zinc/21/20/67/193212067.db2.gz JSPPETNVUPVZJI-OAHLLOKOSA-N 2 2 305.422 1.889 10 0 DDAELP Cc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000093175971 193212069 /nfs/dbraw/zinc/21/20/69/193212069.db2.gz JSPPETNVUPVZJI-OAHLLOKOSA-N 2 2 305.422 1.889 10 0 DDAELP C[NH+](C)[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000170830522 248320890 /nfs/dbraw/zinc/32/08/90/248320890.db2.gz FHKISJKTDSWNQB-HNNXBMFYSA-N 2 2 317.437 1.396 10 0 DDAELP C[C@@H](Cn1cc[nH+]c1)Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000043408885 183360131 /nfs/dbraw/zinc/36/01/31/183360131.db2.gz UGFWMRAMMULEEN-JTQLQIEISA-N 2 2 301.419 1.902 10 0 DDAELP COC(=O)[C@](C)(CCCC[N@@H+]1CCCOCC1)[NH2+]C(C)C ZINC000061933605 184196768 /nfs/dbraw/zinc/19/67/68/184196768.db2.gz OCKPXEAWKLVJHH-INIZCTEOSA-N 2 2 300.443 1.809 10 0 DDAELP COC(=O)[C@](C)(CCCC[N@H+]1CCCOCC1)[NH2+]C(C)C ZINC000061933605 184196769 /nfs/dbraw/zinc/19/67/69/184196769.db2.gz OCKPXEAWKLVJHH-INIZCTEOSA-N 2 2 300.443 1.809 10 0 DDAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@H+](CC4CCOCC4)C[C@@H]23)[nH+]c1 ZINC000253480315 257105164 /nfs/dbraw/zinc/10/51/64/257105164.db2.gz WAOWGEWUVMMTRU-IKGGRYGDSA-N 2 2 317.433 1.867 10 0 DDAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@@H+](CC4CCOCC4)C[C@@H]23)[nH+]c1 ZINC000253480315 257105166 /nfs/dbraw/zinc/10/51/66/257105166.db2.gz WAOWGEWUVMMTRU-IKGGRYGDSA-N 2 2 317.433 1.867 10 0 DDAELP c1coc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000253596023 257105802 /nfs/dbraw/zinc/10/58/02/257105802.db2.gz MBJZMUCSZJRUFO-OIISXLGYSA-N 2 2 306.406 1.449 10 0 DDAELP c1coc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC000253596023 257105804 /nfs/dbraw/zinc/10/58/04/257105804.db2.gz MBJZMUCSZJRUFO-OIISXLGYSA-N 2 2 306.406 1.449 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262541289 407863307 /nfs/dbraw/zinc/86/33/07/407863307.db2.gz RCZGNWUZYDMISV-CYZMBNFOSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262541289 407863312 /nfs/dbraw/zinc/86/33/12/407863312.db2.gz RCZGNWUZYDMISV-CYZMBNFOSA-N 2 2 323.824 1.956 10 0 DDAELP CC(C)c1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1C ZINC000180958450 407936653 /nfs/dbraw/zinc/93/66/53/407936653.db2.gz RGNRIJYOTUUQGE-UHFFFAOYSA-N 2 2 322.501 1.396 10 0 DDAELP CC(C)c1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1C ZINC000180958450 407936658 /nfs/dbraw/zinc/93/66/58/407936658.db2.gz RGNRIJYOTUUQGE-UHFFFAOYSA-N 2 2 322.501 1.396 10 0 DDAELP COc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263236984 408071425 /nfs/dbraw/zinc/07/14/25/408071425.db2.gz OEPNHWGADUSVRS-PWSUYJOCSA-N 2 2 315.211 1.128 10 0 DDAELP CC[NH+]1CCC([NH2+]C2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263470004 408148390 /nfs/dbraw/zinc/14/83/90/408148390.db2.gz DKSRCYYTXCSOPT-UHFFFAOYSA-N 2 2 309.454 1.388 10 0 DDAELP CC[NH+]1CCC([NH2+]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263470004 408148393 /nfs/dbraw/zinc/14/83/93/408148393.db2.gz DKSRCYYTXCSOPT-UHFFFAOYSA-N 2 2 309.454 1.388 10 0 DDAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173978975 162382711 /nfs/dbraw/zinc/38/27/11/162382711.db2.gz GYVRJNKWMGQNDC-CVEARBPZSA-N 2 2 309.454 1.184 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000176798236 408448739 /nfs/dbraw/zinc/44/87/39/408448739.db2.gz JXNNROGYCROKSR-KFWWJZLASA-N 2 2 319.453 1.578 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000176798236 408448740 /nfs/dbraw/zinc/44/87/40/408448740.db2.gz JXNNROGYCROKSR-KFWWJZLASA-N 2 2 319.453 1.578 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccnn2C)nc[nH+]1 ZINC000192982770 408680602 /nfs/dbraw/zinc/68/06/02/408680602.db2.gz JIYLXTFCQAKJHT-QWHCGFSZSA-N 2 2 315.425 1.571 10 0 DDAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515616 163326492 /nfs/dbraw/zinc/32/64/92/163326492.db2.gz XTSOPNMWWLQYHJ-ZDUSSCGKSA-N 2 2 319.409 1.051 10 0 DDAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515616 163326495 /nfs/dbraw/zinc/32/64/95/163326495.db2.gz XTSOPNMWWLQYHJ-ZDUSSCGKSA-N 2 2 319.409 1.051 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000263277532 163942887 /nfs/dbraw/zinc/94/28/87/163942887.db2.gz TUARTZKSRGPDGG-JOYOIKCWSA-N 2 2 303.175 1.258 10 0 DDAELP C[NH+](C)C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000047597374 418458786 /nfs/dbraw/zinc/45/87/86/418458786.db2.gz KSQHWKBLOAIIQY-MRXNPFEDSA-N 2 2 315.421 1.875 10 0 DDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246672716 290108105 /nfs/dbraw/zinc/10/81/05/290108105.db2.gz HYMATLWMAWACDB-VYDXJSESSA-N 2 2 319.449 1.203 10 0 DDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000246672716 290108110 /nfs/dbraw/zinc/10/81/10/290108110.db2.gz HYMATLWMAWACDB-VYDXJSESSA-N 2 2 319.449 1.203 10 0 DDAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000168409044 298217770 /nfs/dbraw/zinc/21/77/70/298217770.db2.gz QRPBIQUMOFBZOY-STQMWFEESA-N 2 2 304.438 1.946 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1C ZINC000248874205 698382410 /nfs/dbraw/zinc/38/24/10/698382410.db2.gz IVDHWDHHGYRPMF-PBHICJAKSA-N 2 2 305.422 1.040 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1C ZINC000248874205 698382412 /nfs/dbraw/zinc/38/24/12/698382412.db2.gz IVDHWDHHGYRPMF-PBHICJAKSA-N 2 2 305.422 1.040 10 0 DDAELP Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000262489796 698471400 /nfs/dbraw/zinc/47/14/00/698471400.db2.gz KVVOUSJXBUAKGT-OAHLLOKOSA-N 2 2 307.413 1.824 10 0 DDAELP Cc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000262489796 698471404 /nfs/dbraw/zinc/47/14/04/698471404.db2.gz KVVOUSJXBUAKGT-OAHLLOKOSA-N 2 2 307.413 1.824 10 0 DDAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000886072159 708692772 /nfs/dbraw/zinc/69/27/72/708692772.db2.gz YNQOHEDCLJPTBU-MRXNPFEDSA-N 2 2 301.394 1.520 10 0 DDAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000886072159 708692773 /nfs/dbraw/zinc/69/27/73/708692773.db2.gz YNQOHEDCLJPTBU-MRXNPFEDSA-N 2 2 301.394 1.520 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886075317 708693064 /nfs/dbraw/zinc/69/30/64/708693064.db2.gz IZGLVEQCLPWPDN-KFWWJZLASA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886075317 708693066 /nfs/dbraw/zinc/69/30/66/708693066.db2.gz IZGLVEQCLPWPDN-KFWWJZLASA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886075317 708693068 /nfs/dbraw/zinc/69/30/68/708693068.db2.gz IZGLVEQCLPWPDN-KFWWJZLASA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886075317 708693070 /nfs/dbraw/zinc/69/30/70/708693070.db2.gz IZGLVEQCLPWPDN-KFWWJZLASA-N 2 2 306.410 1.100 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886082550 708695064 /nfs/dbraw/zinc/69/50/64/708695064.db2.gz NJUKNNUKACUVFT-OAGGEKHMSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886082550 708695066 /nfs/dbraw/zinc/69/50/66/708695066.db2.gz NJUKNNUKACUVFT-OAGGEKHMSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886082550 708695068 /nfs/dbraw/zinc/69/50/68/708695068.db2.gz NJUKNNUKACUVFT-OAGGEKHMSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886082550 708695071 /nfs/dbraw/zinc/69/50/71/708695071.db2.gz NJUKNNUKACUVFT-OAGGEKHMSA-N 2 2 320.437 1.443 10 0 DDAELP C[C@@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000088855818 185267149 /nfs/dbraw/zinc/26/71/49/185267149.db2.gz KILKVAZWCUNJER-TZMCWYRMSA-N 2 2 303.387 1.834 10 0 DDAELP CCCNC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272375 539570065 /nfs/dbraw/zinc/57/00/65/539570065.db2.gz PMNHIAZNXAJWSK-PWSUYJOCSA-N 2 2 311.455 1.844 10 0 DDAELP CCCNC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272375 539570068 /nfs/dbraw/zinc/57/00/68/539570068.db2.gz PMNHIAZNXAJWSK-PWSUYJOCSA-N 2 2 311.455 1.844 10 0 DDAELP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCc2[nH+]ccn2C)c1 ZINC000071276392 190951274 /nfs/dbraw/zinc/95/12/74/190951274.db2.gz YPTAMXGQNRSLIO-NSHDSACASA-N 2 2 308.407 1.179 10 0 DDAELP C[N@@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2C1 ZINC000072144658 191051924 /nfs/dbraw/zinc/05/19/24/191051924.db2.gz PSVFBQQFRMDLTE-ZDUSSCGKSA-N 2 2 317.437 1.098 10 0 DDAELP C[N@H+]1CCc2n[nH]c(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2C1 ZINC000072144658 191051926 /nfs/dbraw/zinc/05/19/26/191051926.db2.gz PSVFBQQFRMDLTE-ZDUSSCGKSA-N 2 2 317.437 1.098 10 0 DDAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000328619937 354547732 /nfs/dbraw/zinc/54/77/32/354547732.db2.gz GMOQTEHJKZYWKH-CYBMUJFWSA-N 2 2 309.373 1.865 10 0 DDAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 ZINC000081293033 192246902 /nfs/dbraw/zinc/24/69/02/192246902.db2.gz BNVZNXGZTUMQOR-CYBMUJFWSA-N 2 2 305.403 1.457 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CCCOC)nc[nH+]1 ZINC000180573451 199177681 /nfs/dbraw/zinc/17/76/81/199177681.db2.gz KPOCRJHHPGJVTA-ZIAGYGMSSA-N 2 2 307.442 1.892 10 0 DDAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000089455607 192793070 /nfs/dbraw/zinc/79/30/70/192793070.db2.gz JMOJQYLXUFHHPM-LSDHHAIUSA-N 2 2 307.463 1.767 10 0 DDAELP C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262109002 203201980 /nfs/dbraw/zinc/20/19/80/203201980.db2.gz VPJDXUFFEYSBRG-WQVCFCJDSA-N 2 2 314.389 1.556 10 0 DDAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@H]1C[NH+]2CCN1CC2 ZINC000094509268 193375201 /nfs/dbraw/zinc/37/52/01/193375201.db2.gz QIBRTDNAJKAMLQ-HUUCEWRRSA-N 2 2 309.841 1.479 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969503 183391221 /nfs/dbraw/zinc/39/12/21/183391221.db2.gz XCLIQGPSKLZEEN-RRFJBIMHSA-N 2 2 300.443 1.617 10 0 DDAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969503 183391223 /nfs/dbraw/zinc/39/12/23/183391223.db2.gz XCLIQGPSKLZEEN-RRFJBIMHSA-N 2 2 300.443 1.617 10 0 DDAELP CCCCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862682 194149905 /nfs/dbraw/zinc/14/99/05/194149905.db2.gz KECGHYHYHREROY-CQSZACIVSA-N 2 2 324.469 1.937 10 0 DDAELP CCCCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862682 194149906 /nfs/dbraw/zinc/14/99/06/194149906.db2.gz KECGHYHYHREROY-CQSZACIVSA-N 2 2 324.469 1.937 10 0 DDAELP C[NH+]1CCC(CNc2nc(Cl)nc(-n3cc[nH+]c3)n2)CC1 ZINC000061540782 184173738 /nfs/dbraw/zinc/17/37/38/184173738.db2.gz WFIIWSGVQRJXIK-UHFFFAOYSA-N 2 2 307.789 1.464 10 0 DDAELP CC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000164284100 132133179 /nfs/dbraw/zinc/13/31/79/132133179.db2.gz PDUVNFISNMFUST-MRXNPFEDSA-N 2 2 321.469 1.278 10 0 DDAELP CC[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1)[NH+](C)C ZINC000164284100 132133181 /nfs/dbraw/zinc/13/31/81/132133181.db2.gz PDUVNFISNMFUST-MRXNPFEDSA-N 2 2 321.469 1.278 10 0 DDAELP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CC[NH2+]CC1 ZINC000053994924 407176463 /nfs/dbraw/zinc/17/64/63/407176463.db2.gz GUZRWGQRLHTWDS-UHFFFAOYSA-N 2 2 315.373 1.830 10 0 DDAELP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2ccc(C)cc2)CC1 ZINC000096339200 407258947 /nfs/dbraw/zinc/25/89/47/407258947.db2.gz JPWGRZUTCPQLDS-UHFFFAOYSA-N 2 2 300.406 1.444 10 0 DDAELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000123564522 407332803 /nfs/dbraw/zinc/33/28/03/407332803.db2.gz XEIANNZPIUYWES-MRXNPFEDSA-N 2 2 302.422 1.531 10 0 DDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000178887623 407639239 /nfs/dbraw/zinc/63/92/39/407639239.db2.gz WFRRVQSRRXQUHN-INIZCTEOSA-N 2 2 321.469 1.055 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261936331 407679742 /nfs/dbraw/zinc/67/97/42/407679742.db2.gz DGCTZHZDIGMBDS-XJKSGUPXSA-N 2 2 307.442 1.310 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279540 407781568 /nfs/dbraw/zinc/78/15/68/407781568.db2.gz LOYWYHZZFPJCSB-DVOMOZLQSA-N 2 2 321.421 1.208 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000262279540 407781573 /nfs/dbraw/zinc/78/15/73/407781573.db2.gz LOYWYHZZFPJCSB-DVOMOZLQSA-N 2 2 321.421 1.208 10 0 DDAELP CCOCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1CC ZINC000173680792 407893239 /nfs/dbraw/zinc/89/32/39/407893239.db2.gz JOJGKVVYSNAPGF-KRWDZBQOSA-N 2 2 313.486 1.141 10 0 DDAELP CCOCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1CC ZINC000173680792 407893241 /nfs/dbraw/zinc/89/32/41/407893241.db2.gz JOJGKVVYSNAPGF-KRWDZBQOSA-N 2 2 313.486 1.141 10 0 DDAELP C[NH+](C)C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCCCC1 ZINC000263095906 408024695 /nfs/dbraw/zinc/02/46/95/408024695.db2.gz YWHDQROTXYXLBW-LBPRGKRZSA-N 2 2 303.397 1.754 10 0 DDAELP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263044435 408009644 /nfs/dbraw/zinc/00/96/44/408009644.db2.gz TWRFWXNEUDSOAO-CYBMUJFWSA-N 2 2 303.397 1.707 10 0 DDAELP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263044435 408009645 /nfs/dbraw/zinc/00/96/45/408009645.db2.gz TWRFWXNEUDSOAO-CYBMUJFWSA-N 2 2 303.397 1.707 10 0 DDAELP COCC[N@@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@@H]1C ZINC000245726309 408054505 /nfs/dbraw/zinc/05/45/05/408054505.db2.gz IUWGGQRPKISXSR-HNNXBMFYSA-N 2 2 302.422 1.795 10 0 DDAELP COCC[N@H+]1CCN(Cc2c[nH+]c3c(C)cccn23)C[C@@H]1C ZINC000245726309 408054512 /nfs/dbraw/zinc/05/45/12/408054512.db2.gz IUWGGQRPKISXSR-HNNXBMFYSA-N 2 2 302.422 1.795 10 0 DDAELP COc1c(C)c[nH+]c(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1C ZINC000246527153 408282512 /nfs/dbraw/zinc/28/25/12/408282512.db2.gz RTCYJESURBQGSN-YOEHRIQHSA-N 2 2 319.449 1.860 10 0 DDAELP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)on1 ZINC000171574988 162226159 /nfs/dbraw/zinc/22/61/59/162226159.db2.gz ASAIBOBGYWQCJM-KRWDZBQOSA-N 2 2 322.453 1.210 10 0 DDAELP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)on1 ZINC000171574988 162226163 /nfs/dbraw/zinc/22/61/63/162226163.db2.gz ASAIBOBGYWQCJM-KRWDZBQOSA-N 2 2 322.453 1.210 10 0 DDAELP C[C@@H]1CN(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000191503874 408438160 /nfs/dbraw/zinc/43/81/60/408438160.db2.gz SQKUGVIIEHUUMI-HZPDHXFCSA-N 2 2 304.438 1.536 10 0 DDAELP C[C@@H]1CN(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000191503874 408438168 /nfs/dbraw/zinc/43/81/68/408438168.db2.gz SQKUGVIIEHUUMI-HZPDHXFCSA-N 2 2 304.438 1.536 10 0 DDAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)c[nH+]1 ZINC000177155053 408536861 /nfs/dbraw/zinc/53/68/61/408536861.db2.gz HZXFMKLSBLHTHM-MRXNPFEDSA-N 2 2 323.404 1.771 10 0 DDAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)cn2)c[nH+]1 ZINC000177155053 408536865 /nfs/dbraw/zinc/53/68/65/408536865.db2.gz HZXFMKLSBLHTHM-MRXNPFEDSA-N 2 2 323.404 1.771 10 0 DDAELP CC[N@H+](CCO)CC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000184542076 408637419 /nfs/dbraw/zinc/63/74/19/408637419.db2.gz WTQMFPNPFRDBFA-UHFFFAOYSA-N 2 2 305.426 1.416 10 0 DDAELP CC[N@@H+](CCO)CC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000184542076 408637424 /nfs/dbraw/zinc/63/74/24/408637424.db2.gz WTQMFPNPFRDBFA-UHFFFAOYSA-N 2 2 305.426 1.416 10 0 DDAELP Cc1cccc2c(N(C)C[C@@H](O)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000301690946 410772857 /nfs/dbraw/zinc/77/28/57/410772857.db2.gz WOXCIKXNYZPQSA-OAHLLOKOSA-N 2 2 315.417 1.673 10 0 DDAELP CC(C)(C)n1cc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cn1 ZINC000131193443 196148830 /nfs/dbraw/zinc/14/88/30/196148830.db2.gz IMGDFKITGMYQCW-UHFFFAOYSA-N 2 2 316.453 1.652 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000246994311 282028083 /nfs/dbraw/zinc/02/80/83/282028083.db2.gz KIDGCUHHLCZICS-BBWFWOEESA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000246994311 282028086 /nfs/dbraw/zinc/02/80/86/282028086.db2.gz KIDGCUHHLCZICS-BBWFWOEESA-N 2 2 323.437 1.212 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479300 302370055 /nfs/dbraw/zinc/37/00/55/302370055.db2.gz VUFDNEPJEVQYGD-YTQUADARSA-N 3 2 317.477 1.865 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479300 302370059 /nfs/dbraw/zinc/37/00/59/302370059.db2.gz VUFDNEPJEVQYGD-YTQUADARSA-N 3 2 317.477 1.865 10 0 DDAELP Cc1cc[nH+]c(NC[C@@H]2C[NH2+]CCCO2)c1Br ZINC000390274891 307293641 /nfs/dbraw/zinc/29/36/41/307293641.db2.gz YTZOICYLGBZIQL-JTQLQIEISA-N 2 2 300.200 1.943 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000663372723 484835383 /nfs/dbraw/zinc/83/53/83/484835383.db2.gz PIFCAOYSULYGDS-MSOLQXFVSA-N 2 2 319.493 1.799 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000663372723 484835389 /nfs/dbraw/zinc/83/53/89/484835389.db2.gz PIFCAOYSULYGDS-MSOLQXFVSA-N 2 2 319.493 1.799 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930786 698668597 /nfs/dbraw/zinc/66/85/97/698668597.db2.gz YZZFVXXJCRDPCO-QRQLOZEOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930786 698668602 /nfs/dbraw/zinc/66/86/02/698668602.db2.gz YZZFVXXJCRDPCO-QRQLOZEOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930786 698668606 /nfs/dbraw/zinc/66/86/06/698668606.db2.gz YZZFVXXJCRDPCO-QRQLOZEOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930786 698668610 /nfs/dbraw/zinc/66/86/10/698668610.db2.gz YZZFVXXJCRDPCO-QRQLOZEOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000303491062 539289086 /nfs/dbraw/zinc/28/90/86/539289086.db2.gz JUNWYZZCURSRTR-QXAKKESOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000303491062 539289087 /nfs/dbraw/zinc/28/90/87/539289087.db2.gz JUNWYZZCURSRTR-QXAKKESOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000303491062 539289088 /nfs/dbraw/zinc/28/90/88/539289088.db2.gz JUNWYZZCURSRTR-QXAKKESOSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000303491062 539289089 /nfs/dbraw/zinc/28/90/89/539289089.db2.gz JUNWYZZCURSRTR-QXAKKESOSA-N 2 2 317.477 1.960 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616663159 362774502 /nfs/dbraw/zinc/77/45/02/362774502.db2.gz IMLNYWWQOKUIEP-ZDUSSCGKSA-N 2 2 310.398 1.281 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616663159 362774504 /nfs/dbraw/zinc/77/45/04/362774504.db2.gz IMLNYWWQOKUIEP-ZDUSSCGKSA-N 2 2 310.398 1.281 10 0 DDAELP c1cc(COC[C@H]2C[NH2+]C[C@H](C[NH+]3CCCCC3)N2)ccn1 ZINC000136461826 354117070 /nfs/dbraw/zinc/11/70/70/354117070.db2.gz XZRIVNHQJIEVPS-IAGOWNOFSA-N 2 2 304.438 1.014 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000195257072 201368023 /nfs/dbraw/zinc/36/80/23/201368023.db2.gz GTPBIHWLUAGSIZ-CQSZACIVSA-N 2 2 324.494 1.730 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC000195257072 201368027 /nfs/dbraw/zinc/36/80/27/201368027.db2.gz GTPBIHWLUAGSIZ-CQSZACIVSA-N 2 2 324.494 1.730 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000195257072 201368030 /nfs/dbraw/zinc/36/80/30/201368030.db2.gz GTPBIHWLUAGSIZ-CQSZACIVSA-N 2 2 324.494 1.730 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000195257072 201368033 /nfs/dbraw/zinc/36/80/33/201368033.db2.gz GTPBIHWLUAGSIZ-CQSZACIVSA-N 2 2 324.494 1.730 10 0 DDAELP CC(C)CNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301215 201376082 /nfs/dbraw/zinc/37/60/82/201376082.db2.gz NUYOUNCXMKWXJO-QGZVFWFLSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)CNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301215 201376086 /nfs/dbraw/zinc/37/60/86/201376086.db2.gz NUYOUNCXMKWXJO-QGZVFWFLSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)CNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195301215 201376087 /nfs/dbraw/zinc/37/60/87/201376087.db2.gz NUYOUNCXMKWXJO-QGZVFWFLSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)CNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195301215 201376091 /nfs/dbraw/zinc/37/60/91/201376091.db2.gz NUYOUNCXMKWXJO-QGZVFWFLSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696642 193291761 /nfs/dbraw/zinc/29/17/61/193291761.db2.gz NFQKHLHGRXPYIW-HUUCEWRRSA-N 2 2 319.515 1.224 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093913758 193327550 /nfs/dbraw/zinc/32/75/50/193327550.db2.gz INRSKHNWJLYGLJ-MFKMUULPSA-N 2 2 300.834 1.226 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093913758 193327552 /nfs/dbraw/zinc/32/75/52/193327552.db2.gz INRSKHNWJLYGLJ-MFKMUULPSA-N 2 2 300.834 1.226 10 0 DDAELP CCC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094633980 193385611 /nfs/dbraw/zinc/38/56/11/193385611.db2.gz AHDTVTAFEZKPOH-CABCVRRESA-N 2 2 302.484 1.806 10 0 DDAELP [NH3+][C@H](Cc1cc(Cl)ccc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094508323 193375464 /nfs/dbraw/zinc/37/54/64/193375464.db2.gz JMTRVDFPICHMEK-ZIAGYGMSSA-N 2 2 300.233 1.863 10 0 DDAELP O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1 ZINC000020463874 182221011 /nfs/dbraw/zinc/22/10/11/182221011.db2.gz BMKCSQQIINWKNW-HSFUPAIVSA-N 2 2 324.465 1.495 10 0 DDAELP C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000021042276 182263053 /nfs/dbraw/zinc/26/30/53/182263053.db2.gz ZMTMHKVOXBAKTM-OCCSQVGLSA-N 2 2 305.403 1.710 10 0 DDAELP CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000042439950 183270505 /nfs/dbraw/zinc/27/05/05/183270505.db2.gz RSCWFNYCGMFQOO-CYBMUJFWSA-N 2 2 301.228 1.851 10 0 DDAELP CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000042439950 183270506 /nfs/dbraw/zinc/27/05/06/183270506.db2.gz RSCWFNYCGMFQOO-CYBMUJFWSA-N 2 2 301.228 1.851 10 0 DDAELP CC[NH2+]Cc1sc(N2CC[C@@H]([NH+]3CCOCC3)C2)nc1C ZINC000110275801 194318858 /nfs/dbraw/zinc/31/88/58/194318858.db2.gz XKPWDUKFARWCSY-CYBMUJFWSA-N 2 2 310.467 1.472 10 0 DDAELP CC[N@@H+]1CCN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000110763476 194356238 /nfs/dbraw/zinc/35/62/38/194356238.db2.gz QHJLYJYYNQNNHS-QWHCGFSZSA-N 2 2 311.451 1.421 10 0 DDAELP CC[N@H+]1CCN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000110763476 194356241 /nfs/dbraw/zinc/35/62/41/194356241.db2.gz QHJLYJYYNQNNHS-QWHCGFSZSA-N 2 2 311.451 1.421 10 0 DDAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCOCC1)[NH2+]C(C)C ZINC000061933489 184196817 /nfs/dbraw/zinc/19/68/17/184196817.db2.gz HLZJZDGEPCCLTQ-MRXNPFEDSA-N 2 2 300.443 1.809 10 0 DDAELP CCOC(=O)[C@@](C)(CCC[N@H+]1CCCOCC1)[NH2+]C(C)C ZINC000061933489 184196818 /nfs/dbraw/zinc/19/68/18/184196818.db2.gz HLZJZDGEPCCLTQ-MRXNPFEDSA-N 2 2 300.443 1.809 10 0 DDAELP COC(=O)[C@@H](CCN(CC[NH+](C)C)CC(C)C)[NH2+]C(C)C ZINC000062456448 184237591 /nfs/dbraw/zinc/23/75/91/184237591.db2.gz NQLCSVLVPZTHLK-OAHLLOKOSA-N 2 2 301.475 1.436 10 0 DDAELP CCN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863038 407356480 /nfs/dbraw/zinc/35/64/80/407356480.db2.gz KGPRQSPUXZRTGG-UHFFFAOYSA-N 2 2 321.469 1.148 10 0 DDAELP CCN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863038 407356481 /nfs/dbraw/zinc/35/64/81/407356481.db2.gz KGPRQSPUXZRTGG-UHFFFAOYSA-N 2 2 321.469 1.148 10 0 DDAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261616565 407554720 /nfs/dbraw/zinc/55/47/20/407554720.db2.gz CNFPZYHBQFCYPZ-OLZOCXBDSA-N 2 2 315.339 1.339 10 0 DDAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261616565 407554726 /nfs/dbraw/zinc/55/47/26/407554726.db2.gz CNFPZYHBQFCYPZ-OLZOCXBDSA-N 2 2 315.339 1.339 10 0 DDAELP Cc1ccc([C@@H](CNC(=O)C[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000261790435 407616840 /nfs/dbraw/zinc/61/68/40/407616840.db2.gz KIEUKULLOPKOPT-WCQYABFASA-N 2 2 311.451 1.283 10 0 DDAELP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000262007117 407708474 /nfs/dbraw/zinc/70/84/74/407708474.db2.gz VFHQRIDOPCCRRX-ZACQAIPSSA-N 3 2 318.465 1.509 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000263145342 408038102 /nfs/dbraw/zinc/03/81/02/408038102.db2.gz CPPNHDKTHGPMHX-RHSMWYFYSA-N 3 2 323.868 1.474 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000263149411 408039680 /nfs/dbraw/zinc/03/96/80/408039680.db2.gz CZPTTZKMQAHLRD-UFBFGSQYSA-N 2 2 303.175 1.258 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000263243077 408072500 /nfs/dbraw/zinc/07/25/00/408072500.db2.gz OWOJTHRJZCTBQZ-FZMZJTMJSA-N 2 2 307.394 1.619 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cncs2)nc[nH+]1 ZINC000136071960 408074332 /nfs/dbraw/zinc/07/43/32/408074332.db2.gz AFQVFCABCAMGQO-NSHDSACASA-N 2 2 304.423 1.733 10 0 DDAELP C[C@@H]1C[NH+](CC2(C[N@@H+]3CCS[C@@H](C)C3)COC2)CCS1 ZINC000182130085 408077918 /nfs/dbraw/zinc/07/79/18/408077918.db2.gz RWVVYTNGHCWZGV-OKILXGFUSA-N 2 2 316.536 1.878 10 0 DDAELP C[C@@H]1C[NH+](CC2(C[N@H+]3CCS[C@@H](C)C3)COC2)CCS1 ZINC000182130085 408077919 /nfs/dbraw/zinc/07/79/19/408077919.db2.gz RWVVYTNGHCWZGV-OKILXGFUSA-N 2 2 316.536 1.878 10 0 DDAELP C[C@@H]1C[N@H+](CC2(C[NH+]3CCS[C@@H](C)C3)COC2)CCS1 ZINC000182130085 408077921 /nfs/dbraw/zinc/07/79/21/408077921.db2.gz RWVVYTNGHCWZGV-OKILXGFUSA-N 2 2 316.536 1.878 10 0 DDAELP C[C@@H]1C[N@@H+](CC2(C[NH+]3CCS[C@@H](C)C3)COC2)CCS1 ZINC000182130085 408077924 /nfs/dbraw/zinc/07/79/24/408077924.db2.gz RWVVYTNGHCWZGV-OKILXGFUSA-N 2 2 316.536 1.878 10 0 DDAELP Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000183091795 408323944 /nfs/dbraw/zinc/32/39/44/408323944.db2.gz LLVCVDSDEIJZQF-AWEZNQCLSA-N 2 2 323.437 1.466 10 0 DDAELP C[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246914112 408367204 /nfs/dbraw/zinc/36/72/04/408367204.db2.gz PUSRETAXZCPVKI-WMZOPIPTSA-N 2 2 304.434 1.548 10 0 DDAELP C[C@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246914112 408367212 /nfs/dbraw/zinc/36/72/12/408367212.db2.gz PUSRETAXZCPVKI-WMZOPIPTSA-N 2 2 304.434 1.548 10 0 DDAELP CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000246941428 408374202 /nfs/dbraw/zinc/37/42/02/408374202.db2.gz HOWDCESLMNETCS-WCQYABFASA-N 2 2 305.382 1.947 10 0 DDAELP CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000246941428 408374203 /nfs/dbraw/zinc/37/42/03/408374203.db2.gz HOWDCESLMNETCS-WCQYABFASA-N 2 2 305.382 1.947 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000247297667 408447334 /nfs/dbraw/zinc/44/73/34/408447334.db2.gz HUSKSWLORIJKRD-KBPBESRZSA-N 2 2 307.442 1.580 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000247229675 408433664 /nfs/dbraw/zinc/43/36/64/408433664.db2.gz RDNVBMKDFMZFEM-CABCVRRESA-N 2 2 322.453 1.624 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000247229675 408433669 /nfs/dbraw/zinc/43/36/69/408433669.db2.gz RDNVBMKDFMZFEM-CABCVRRESA-N 2 2 322.453 1.624 10 0 DDAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000184183401 408566574 /nfs/dbraw/zinc/56/65/74/408566574.db2.gz LHXDJBJAVAHRJS-GJZGRUSLSA-N 2 2 323.437 1.499 10 0 DDAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000184183401 408566580 /nfs/dbraw/zinc/56/65/80/408566580.db2.gz LHXDJBJAVAHRJS-GJZGRUSLSA-N 2 2 323.437 1.499 10 0 DDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248636707 408606299 /nfs/dbraw/zinc/60/62/99/408606299.db2.gz LHXDJBJAVAHRJS-HUUCEWRRSA-N 2 2 323.437 1.499 10 0 DDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248636707 408606304 /nfs/dbraw/zinc/60/63/04/408606304.db2.gz LHXDJBJAVAHRJS-HUUCEWRRSA-N 2 2 323.437 1.499 10 0 DDAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC000249048086 408680966 /nfs/dbraw/zinc/68/09/66/408680966.db2.gz NVGMRHWENGSDOH-IRXDYDNUSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC000249048086 408680968 /nfs/dbraw/zinc/68/09/68/408680968.db2.gz NVGMRHWENGSDOH-IRXDYDNUSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC000249048086 408680969 /nfs/dbraw/zinc/68/09/69/408680969.db2.gz NVGMRHWENGSDOH-IRXDYDNUSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC000249048086 408680971 /nfs/dbraw/zinc/68/09/71/408680971.db2.gz NVGMRHWENGSDOH-IRXDYDNUSA-N 2 2 313.486 1.140 10 0 DDAELP C[C@H](C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000261846802 298000904 /nfs/dbraw/zinc/00/09/04/298000904.db2.gz MDXUUWYPODKVPT-DZGCQCFKSA-N 2 2 316.449 1.937 10 0 DDAELP Cc1nn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000183369105 697487711 /nfs/dbraw/zinc/48/77/11/697487711.db2.gz ARQQLRFPTBUBJT-ZDUSSCGKSA-N 2 2 304.354 1.727 10 0 DDAELP Cc1nn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000183369105 697487713 /nfs/dbraw/zinc/48/77/13/697487713.db2.gz ARQQLRFPTBUBJT-ZDUSSCGKSA-N 2 2 304.354 1.727 10 0 DDAELP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261879942 698442837 /nfs/dbraw/zinc/44/28/37/698442837.db2.gz FGKSFPHSEMZPJN-FGTMMUONSA-N 3 2 307.482 1.608 10 0 DDAELP Cn1cncc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886068627 708691715 /nfs/dbraw/zinc/69/17/15/708691715.db2.gz CUGHEYQQAJTWOT-QGZVFWFLSA-N 2 2 315.421 1.530 10 0 DDAELP Cn1cncc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886068627 708691721 /nfs/dbraw/zinc/69/17/21/708691721.db2.gz CUGHEYQQAJTWOT-QGZVFWFLSA-N 2 2 315.421 1.530 10 0 DDAELP C[NH+]1CCC([NH+]2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000082358423 185177809 /nfs/dbraw/zinc/17/78/09/185177809.db2.gz RLXMMBJIGGPLQE-UHFFFAOYSA-N 2 2 302.422 1.930 10 0 DDAELP CCCNC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272377 539570539 /nfs/dbraw/zinc/57/05/39/539570539.db2.gz PMNHIAZNXAJWSK-ZYHUDNBSSA-N 2 2 311.455 1.844 10 0 DDAELP CCCNC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272377 539570542 /nfs/dbraw/zinc/57/05/42/539570542.db2.gz PMNHIAZNXAJWSK-ZYHUDNBSSA-N 2 2 311.455 1.844 10 0 DDAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000237943276 202399094 /nfs/dbraw/zinc/39/90/94/202399094.db2.gz KPLJMTNJYRTKGJ-HUUCEWRRSA-N 2 2 302.422 1.816 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000195292067 201373696 /nfs/dbraw/zinc/37/36/96/201373696.db2.gz YVIPGSHNLLGXHF-KRWDZBQOSA-N 2 2 316.449 1.458 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000195292067 201373698 /nfs/dbraw/zinc/37/36/98/201373698.db2.gz YVIPGSHNLLGXHF-KRWDZBQOSA-N 2 2 316.449 1.458 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000195292067 201373701 /nfs/dbraw/zinc/37/37/01/201373701.db2.gz YVIPGSHNLLGXHF-KRWDZBQOSA-N 2 2 316.449 1.458 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000195292067 201373704 /nfs/dbraw/zinc/37/37/04/201373704.db2.gz YVIPGSHNLLGXHF-KRWDZBQOSA-N 2 2 316.449 1.458 10 0 DDAELP Brc1cn2c(C[NH2+]CCc3c[nH]c[nH+]3)cnc2cn1 ZINC000092050267 193148121 /nfs/dbraw/zinc/14/81/21/193148121.db2.gz IKQARBOQPFPNEM-UHFFFAOYSA-N 2 2 321.182 1.547 10 0 DDAELP Brc1cn2c(C[NH2+]CCc3c[nH+]c[nH]3)cnc2cn1 ZINC000092050267 193148123 /nfs/dbraw/zinc/14/81/23/193148123.db2.gz IKQARBOQPFPNEM-UHFFFAOYSA-N 2 2 321.182 1.547 10 0 DDAELP CC[N@H+](CC(=O)Nc1sccc1C(N)=O)CC(C)(C)C[NH3+] ZINC000093891218 193323986 /nfs/dbraw/zinc/32/39/86/193323986.db2.gz MZGHNDMOCUNXMG-UHFFFAOYSA-N 2 2 312.439 1.092 10 0 DDAELP CC[N@@H+](CC(=O)Nc1sccc1C(N)=O)CC(C)(C)C[NH3+] ZINC000093891218 193323988 /nfs/dbraw/zinc/32/39/88/193323988.db2.gz MZGHNDMOCUNXMG-UHFFFAOYSA-N 2 2 312.439 1.092 10 0 DDAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000040639151 183113319 /nfs/dbraw/zinc/11/33/19/183113319.db2.gz YYSQBBCEDZYVJD-CYBMUJFWSA-N 2 2 305.403 1.471 10 0 DDAELP CC1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000333771273 249100191 /nfs/dbraw/zinc/10/01/91/249100191.db2.gz CAXXJSVGPFCONF-AWEZNQCLSA-N 2 2 305.426 1.447 10 0 DDAELP CC[NH2+][C@@](C)(CCCC[N@H+](C)CCN(C)C)C(=O)OCC ZINC000111144625 194395702 /nfs/dbraw/zinc/39/57/02/194395702.db2.gz DJJHXAIXCZNXHW-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CCN(C)C)C(=O)OCC ZINC000111144625 194395705 /nfs/dbraw/zinc/39/57/05/194395705.db2.gz DJJHXAIXCZNXHW-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP CC(C)[C@@H](C[NH+](C)C)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061539291 184173668 /nfs/dbraw/zinc/17/36/68/184173668.db2.gz YPLPVFSEORPAFH-SNVBAGLBSA-N 2 2 309.805 1.709 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1C ZINC000121679254 195328260 /nfs/dbraw/zinc/32/82/60/195328260.db2.gz MKQDVPNMPGGXDI-CQSZACIVSA-N 2 2 306.410 1.965 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1C ZINC000121679254 195328262 /nfs/dbraw/zinc/32/82/62/195328262.db2.gz MKQDVPNMPGGXDI-CQSZACIVSA-N 2 2 306.410 1.965 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262396841 407824635 /nfs/dbraw/zinc/82/46/35/407824635.db2.gz BZGFUKBVQHCCQG-BFHYXJOUSA-N 2 2 303.406 1.611 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262396841 407824642 /nfs/dbraw/zinc/82/46/42/407824642.db2.gz BZGFUKBVQHCCQG-BFHYXJOUSA-N 2 2 303.406 1.611 10 0 DDAELP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262977103 407990596 /nfs/dbraw/zinc/99/05/96/407990596.db2.gz MKAGRFKXCKLBLN-KBPBESRZSA-N 2 2 309.360 1.374 10 0 DDAELP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262977103 407990602 /nfs/dbraw/zinc/99/06/02/407990602.db2.gz MKAGRFKXCKLBLN-KBPBESRZSA-N 2 2 309.360 1.374 10 0 DDAELP C[C@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245926685 408102814 /nfs/dbraw/zinc/10/28/14/408102814.db2.gz PTEVROPWIUQUGH-PQAIKRCPSA-N 2 2 321.465 1.323 10 0 DDAELP C[C@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245926685 408102821 /nfs/dbraw/zinc/10/28/21/408102821.db2.gz PTEVROPWIUQUGH-PQAIKRCPSA-N 2 2 321.465 1.323 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000246878523 408358532 /nfs/dbraw/zinc/35/85/32/408358532.db2.gz GKMWVRUCXGKPDK-IXDOHACOSA-N 2 2 323.481 1.430 10 0 DDAELP Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc(C2CC2)[nH+]1 ZINC000176706139 408420731 /nfs/dbraw/zinc/42/07/31/408420731.db2.gz FPLIGGJDAQMYPS-IUODEOHRSA-N 2 2 302.422 1.819 10 0 DDAELP C[C@H]1CN(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000249082396 408685950 /nfs/dbraw/zinc/68/59/50/408685950.db2.gz SQKUGVIIEHUUMI-HOTGVXAUSA-N 2 2 304.438 1.536 10 0 DDAELP C[C@H]1CN(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCO1 ZINC000249082396 408685954 /nfs/dbraw/zinc/68/59/54/408685954.db2.gz SQKUGVIIEHUUMI-HOTGVXAUSA-N 2 2 304.438 1.536 10 0 DDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)c[nH+]1 ZINC000185224129 408783284 /nfs/dbraw/zinc/78/32/84/408783284.db2.gz CLYKFLRVJRNEIN-KRWDZBQOSA-N 2 2 323.404 1.583 10 0 DDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)c[nH+]1 ZINC000185224129 408783286 /nfs/dbraw/zinc/78/32/86/408783286.db2.gz CLYKFLRVJRNEIN-KRWDZBQOSA-N 2 2 323.404 1.583 10 0 DDAELP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178295369 408800066 /nfs/dbraw/zinc/80/00/66/408800066.db2.gz LMGPJYJGIZLZJM-CQSZACIVSA-N 2 2 306.435 1.888 10 0 DDAELP Cc1csc(=O)n1CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178295369 408800072 /nfs/dbraw/zinc/80/00/72/408800072.db2.gz LMGPJYJGIZLZJM-CQSZACIVSA-N 2 2 306.435 1.888 10 0 DDAELP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000282222325 409013879 /nfs/dbraw/zinc/01/38/79/409013879.db2.gz FAPFFDALAHOVKD-OTRWWLKZSA-N 2 2 301.434 1.906 10 0 DDAELP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000282222325 409013881 /nfs/dbraw/zinc/01/38/81/409013881.db2.gz FAPFFDALAHOVKD-OTRWWLKZSA-N 2 2 301.434 1.906 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000263235383 163935574 /nfs/dbraw/zinc/93/55/74/163935574.db2.gz NZUKSDQCKAIAFG-CYBMUJFWSA-N 2 2 301.381 1.318 10 0 DDAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638803877 423131569 /nfs/dbraw/zinc/13/15/69/423131569.db2.gz QJVJOAHKJSUGLZ-HUUCEWRRSA-N 2 2 323.387 1.622 10 0 DDAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638803877 423131574 /nfs/dbraw/zinc/13/15/74/423131574.db2.gz QJVJOAHKJSUGLZ-HUUCEWRRSA-N 2 2 323.387 1.622 10 0 DDAELP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3Cn3cncn3)cn2)c[nH+]1 ZINC000377987335 307279798 /nfs/dbraw/zinc/27/97/98/307279798.db2.gz HNYLCLZQSBRWJU-OAHLLOKOSA-N 2 2 309.377 1.523 10 0 DDAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)cn2)c[nH+]1 ZINC000377987335 307279799 /nfs/dbraw/zinc/27/97/99/307279799.db2.gz HNYLCLZQSBRWJU-OAHLLOKOSA-N 2 2 309.377 1.523 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000262123624 484263870 /nfs/dbraw/zinc/26/38/70/484263870.db2.gz MOYSFGPGDCMDCX-CABZTGNLSA-N 2 2 303.175 1.258 10 0 DDAELP CCC[NH+]1CCN(c2nc(C)[nH+]c3c2NC(=O)[C@@H](C)N3)CC1 ZINC000224024077 697764196 /nfs/dbraw/zinc/76/41/96/697764196.db2.gz METXBYIEOZSYPF-SNVBAGLBSA-N 2 2 304.398 1.070 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000092713924 185335874 /nfs/dbraw/zinc/33/58/74/185335874.db2.gz SVQOJGNERQVQBN-ZYHUDNBSSA-N 2 2 307.360 1.647 10 0 DDAELP C[NH+](C)C[C@]1(O)CC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000072420955 191157217 /nfs/dbraw/zinc/15/72/17/191157217.db2.gz KJSFAJNTGYHOFO-QGZVFWFLSA-N 2 2 300.406 1.371 10 0 DDAELP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000072420955 191157220 /nfs/dbraw/zinc/15/72/20/191157220.db2.gz KJSFAJNTGYHOFO-QGZVFWFLSA-N 2 2 300.406 1.371 10 0 DDAELP CC(C)Cn1ncnc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328637827 354556101 /nfs/dbraw/zinc/55/61/01/354556101.db2.gz OWCFIOVYUFGPJU-AWEZNQCLSA-N 2 2 302.426 1.825 10 0 DDAELP CC(C)Cn1ncnc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328637827 354556103 /nfs/dbraw/zinc/55/61/03/354556103.db2.gz OWCFIOVYUFGPJU-AWEZNQCLSA-N 2 2 302.426 1.825 10 0 DDAELP C[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000129690116 291342780 /nfs/dbraw/zinc/34/27/80/291342780.db2.gz PUSRETAXZCPVKI-AEFFLSMTSA-N 2 2 304.434 1.548 10 0 DDAELP C[C@](O)(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000129690116 291342784 /nfs/dbraw/zinc/34/27/84/291342784.db2.gz PUSRETAXZCPVKI-AEFFLSMTSA-N 2 2 304.434 1.548 10 0 DDAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000040638805 183113291 /nfs/dbraw/zinc/11/32/91/183113291.db2.gz KHFOFZVFGAOUKO-LBPRGKRZSA-N 2 2 307.419 1.717 10 0 DDAELP [NH3+]CC1([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCS(=O)(=O)CC1 ZINC000042332354 183255248 /nfs/dbraw/zinc/25/52/48/183255248.db2.gz YFSCAONBMVONBA-UONOGXRCSA-N 2 2 300.468 1.405 10 0 DDAELP [NH3+]CC1([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCS(=O)(=O)CC1 ZINC000042332354 183255250 /nfs/dbraw/zinc/25/52/50/183255250.db2.gz YFSCAONBMVONBA-UONOGXRCSA-N 2 2 300.468 1.405 10 0 DDAELP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+](CCO)CCO ZINC000043021069 183329613 /nfs/dbraw/zinc/32/96/13/183329613.db2.gz IGGJWPZPGMWHQC-GWCFXTLKSA-N 2 2 317.227 1.124 10 0 DDAELP CC[C@@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CC[N@H+]1C ZINC000110763481 194356806 /nfs/dbraw/zinc/35/68/06/194356806.db2.gz IZTMCHSILAWMPX-TZMCWYRMSA-N 2 2 311.451 1.421 10 0 DDAELP CC[C@@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CC[N@@H+]1C ZINC000110763481 194356805 /nfs/dbraw/zinc/35/68/05/194356805.db2.gz IZTMCHSILAWMPX-TZMCWYRMSA-N 2 2 311.451 1.421 10 0 DDAELP CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000062249849 184225628 /nfs/dbraw/zinc/22/56/28/184225628.db2.gz ABTKBNPBHOEFER-VIFPVBQESA-N 2 2 313.199 1.907 10 0 DDAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000333340088 296585020 /nfs/dbraw/zinc/58/50/20/296585020.db2.gz XXOONJLLOOAUSY-BPLDGKMQSA-N 2 2 312.421 1.627 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000105897555 407357233 /nfs/dbraw/zinc/35/72/33/407357233.db2.gz FGIUHIHLKGEAGL-HNNXBMFYSA-N 2 2 320.437 1.331 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000105897555 407357234 /nfs/dbraw/zinc/35/72/34/407357234.db2.gz FGIUHIHLKGEAGL-HNNXBMFYSA-N 2 2 320.437 1.331 10 0 DDAELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000261683624 407578509 /nfs/dbraw/zinc/57/85/09/407578509.db2.gz AKBXLTCKQMYDRJ-AEFFLSMTSA-N 3 2 316.493 1.998 10 0 DDAELP C[C@H](NC(=O)C1([NH3+])CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000261855471 407644473 /nfs/dbraw/zinc/64/44/73/407644473.db2.gz MSONSISZVBVIEI-ZDUSSCGKSA-N 2 2 314.389 1.557 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000262661297 407895579 /nfs/dbraw/zinc/89/55/79/407895579.db2.gz NSVHMZAGCBUFQT-IAGOWNOFSA-N 2 2 319.449 1.564 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC[N@H+]1CCOC ZINC000262661297 407895586 /nfs/dbraw/zinc/89/55/86/407895586.db2.gz NSVHMZAGCBUFQT-IAGOWNOFSA-N 2 2 319.449 1.564 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000263071150 408015726 /nfs/dbraw/zinc/01/57/26/408015726.db2.gz WNEPLNBUBNOFSE-XBFCOCLRSA-N 2 2 313.392 1.459 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000263071150 408015732 /nfs/dbraw/zinc/01/57/32/408015732.db2.gz WNEPLNBUBNOFSE-XBFCOCLRSA-N 2 2 313.392 1.459 10 0 DDAELP O[C@H](CNc1cc(NCC2CC2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000119518418 408087667 /nfs/dbraw/zinc/08/76/67/408087667.db2.gz FWDJNFNIFZRVTC-CQSZACIVSA-N 2 2 305.426 1.557 10 0 DDAELP O[C@H](CNc1cc(NCC2CC2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000119518418 408087672 /nfs/dbraw/zinc/08/76/72/408087672.db2.gz FWDJNFNIFZRVTC-CQSZACIVSA-N 2 2 305.426 1.557 10 0 DDAELP C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900484 408132599 /nfs/dbraw/zinc/13/25/99/408132599.db2.gz ZPPJWQYKRDJOAH-RHSMWYFYSA-N 2 2 311.389 1.781 10 0 DDAELP C[C@@H]([NH2+]CC(=O)N1CCNC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189912678 408135219 /nfs/dbraw/zinc/13/52/19/408135219.db2.gz HIOLMCXARMYVPT-GFCCVEGCSA-N 2 2 313.361 1.075 10 0 DDAELP CCOCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000175963701 408253661 /nfs/dbraw/zinc/25/36/61/408253661.db2.gz MSDWZOKYOGSCFY-AWEZNQCLSA-N 2 2 308.426 1.235 10 0 DDAELP CCOCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000175963701 408253665 /nfs/dbraw/zinc/25/36/65/408253665.db2.gz MSDWZOKYOGSCFY-AWEZNQCLSA-N 2 2 308.426 1.235 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000247356469 408456652 /nfs/dbraw/zinc/45/66/52/408456652.db2.gz OGYCGBJHYFTLBN-HUUCEWRRSA-N 2 2 319.453 1.912 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000247356469 408456657 /nfs/dbraw/zinc/45/66/57/408456657.db2.gz OGYCGBJHYFTLBN-HUUCEWRRSA-N 2 2 319.453 1.912 10 0 DDAELP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000191985879 408517620 /nfs/dbraw/zinc/51/76/20/408517620.db2.gz JEUYTBVBGNEFDO-UHFFFAOYSA-N 2 2 322.453 1.621 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000178307052 408802456 /nfs/dbraw/zinc/80/24/56/408802456.db2.gz IWBHCDYWAKTQBV-AWEZNQCLSA-N 2 2 302.378 1.565 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC000178307052 408802460 /nfs/dbraw/zinc/80/24/60/408802460.db2.gz IWBHCDYWAKTQBV-AWEZNQCLSA-N 2 2 302.378 1.565 10 0 DDAELP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c1 ZINC000643963372 423420463 /nfs/dbraw/zinc/42/04/63/423420463.db2.gz URBBZYFQWPYRMW-NXHRZFHOSA-N 2 2 304.434 1.951 10 0 DDAELP Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c1 ZINC000643963372 423420466 /nfs/dbraw/zinc/42/04/66/423420466.db2.gz URBBZYFQWPYRMW-NXHRZFHOSA-N 2 2 304.434 1.951 10 0 DDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(CC)n2C)[C@H](C)C1 ZINC000248860557 282112179 /nfs/dbraw/zinc/11/21/79/282112179.db2.gz ACTYJEAJUIQJJN-CABCVRRESA-N 2 2 323.485 1.604 10 0 DDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(CC)n2C)[C@H](C)C1 ZINC000248860557 282112183 /nfs/dbraw/zinc/11/21/83/282112183.db2.gz ACTYJEAJUIQJJN-CABCVRRESA-N 2 2 323.485 1.604 10 0 DDAELP CCc1cc(N2CC[NH+]([C@@H](CC)C(N)=S)CC2)nc(C)[nH+]1 ZINC000088760028 185264405 /nfs/dbraw/zinc/26/44/05/185264405.db2.gz WUIZMTQESCWSEJ-ZDUSSCGKSA-N 2 2 307.467 1.534 10 0 DDAELP C[NH2+][C@@H]1COC[C@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000090438665 185296653 /nfs/dbraw/zinc/29/66/53/185296653.db2.gz UOLCWPNBFIHRNT-UKRRQHHQSA-N 2 2 309.841 1.696 10 0 DDAELP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000080531915 192165914 /nfs/dbraw/zinc/16/59/14/192165914.db2.gz NNJKEEKXCXBAGT-NSHDSACASA-N 2 2 308.407 1.511 10 0 DDAELP CC(=O)c1ccc(OCC[NH+](C)C)cc1N1CC[NH+](C)CC1 ZINC000167971328 354250444 /nfs/dbraw/zinc/25/04/44/354250444.db2.gz RXCKPAQNPAXKBJ-UHFFFAOYSA-N 2 2 305.422 1.581 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](COC)C(C)C)nc[nH+]1 ZINC000180574408 199177652 /nfs/dbraw/zinc/17/76/52/199177652.db2.gz DNIBXDMLSVVDHF-KGLIPLIRSA-N 2 2 307.442 1.748 10 0 DDAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(N)=O ZINC000180659835 199192246 /nfs/dbraw/zinc/19/22/46/199192246.db2.gz KIBFORAWDBCHOP-QWRGUYRKSA-N 2 2 301.350 1.106 10 0 DDAELP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282533 201373750 /nfs/dbraw/zinc/37/37/50/201373750.db2.gz DVKAWGLKFWUQPR-INIZCTEOSA-N 2 2 304.438 1.360 10 0 DDAELP CC(C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282533 201373751 /nfs/dbraw/zinc/37/37/51/201373751.db2.gz DVKAWGLKFWUQPR-INIZCTEOSA-N 2 2 304.438 1.360 10 0 DDAELP CC(C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195282533 201373755 /nfs/dbraw/zinc/37/37/55/201373755.db2.gz DVKAWGLKFWUQPR-INIZCTEOSA-N 2 2 304.438 1.360 10 0 DDAELP CC(C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282533 201373757 /nfs/dbraw/zinc/37/37/57/201373757.db2.gz DVKAWGLKFWUQPR-INIZCTEOSA-N 2 2 304.438 1.360 10 0 DDAELP C[NH+](C)[C@H]1CCCN(c2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000091430252 193055012 /nfs/dbraw/zinc/05/50/12/193055012.db2.gz ARHYDHARDLFGKV-JTQLQIEISA-N 2 2 307.789 1.241 10 0 DDAELP CC[NH2+][C@H](Cc1c(Br)c(C)nn1C)C[NH+](C)C ZINC000091719843 193097211 /nfs/dbraw/zinc/09/72/11/193097211.db2.gz CAIAQYYRNPABNS-SNVBAGLBSA-N 2 2 303.248 1.573 10 0 DDAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000262710249 284004295 /nfs/dbraw/zinc/00/42/95/284004295.db2.gz PXOIEYMBJLWNKB-LRDDRELGSA-N 2 2 320.441 1.121 10 0 DDAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000262710249 284004297 /nfs/dbraw/zinc/00/42/97/284004297.db2.gz PXOIEYMBJLWNKB-LRDDRELGSA-N 2 2 320.441 1.121 10 0 DDAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697658 193292682 /nfs/dbraw/zinc/29/26/82/193292682.db2.gz UOXZJXOUPKBWEJ-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP CC[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697658 193292684 /nfs/dbraw/zinc/29/26/84/193292684.db2.gz UOXZJXOUPKBWEJ-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894220 193324197 /nfs/dbraw/zinc/32/41/97/193324197.db2.gz QHRAKRLUFWZWGD-SMDDNHRTSA-N 2 2 313.877 1.234 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894220 193324198 /nfs/dbraw/zinc/32/41/98/193324198.db2.gz QHRAKRLUFWZWGD-SMDDNHRTSA-N 2 2 313.877 1.234 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894499 193325449 /nfs/dbraw/zinc/32/54/49/193325449.db2.gz QRUWPVNJVQRONA-JSGCOSHPSA-N 2 2 313.877 1.012 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH2+]C)[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894499 193325450 /nfs/dbraw/zinc/32/54/50/193325450.db2.gz QRUWPVNJVQRONA-JSGCOSHPSA-N 2 2 313.877 1.012 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093926005 193328667 /nfs/dbraw/zinc/32/86/67/193328667.db2.gz SSHWXXABVDUFNF-JSGCOSHPSA-N 2 2 314.861 1.844 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093926005 193328669 /nfs/dbraw/zinc/32/86/69/193328669.db2.gz SSHWXXABVDUFNF-JSGCOSHPSA-N 2 2 314.861 1.844 10 0 DDAELP C[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000094300276 193357993 /nfs/dbraw/zinc/35/79/93/193357993.db2.gz ZNGIDYVMFJEYKH-MJBXVCDLSA-N 2 2 304.500 1.753 10 0 DDAELP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000094300276 193357994 /nfs/dbraw/zinc/35/79/94/193357994.db2.gz ZNGIDYVMFJEYKH-MJBXVCDLSA-N 2 2 304.500 1.753 10 0 DDAELP [NH3+]Cc1ccc(-c2csc([C@H]3C[NH+]4CCN3CC4)n2)cc1 ZINC000094511571 193375748 /nfs/dbraw/zinc/37/57/48/193375748.db2.gz ZDQPLXAGKJIEEP-OAHLLOKOSA-N 2 2 300.431 1.941 10 0 DDAELP CCC1(CC)CC[N@@H+]([C@@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)C1 ZINC000094799000 193399519 /nfs/dbraw/zinc/39/95/19/193399519.db2.gz OAJRLBIAACDGOJ-DZGCQCFKSA-N 2 2 302.484 1.793 10 0 DDAELP CCC1(CC)CC[N@H+]([C@@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)C1 ZINC000094799000 193399521 /nfs/dbraw/zinc/39/95/21/193399521.db2.gz OAJRLBIAACDGOJ-DZGCQCFKSA-N 2 2 302.484 1.793 10 0 DDAELP C[N@H+](CC(=O)Nc1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC000019775781 182147276 /nfs/dbraw/zinc/14/72/76/182147276.db2.gz XAIFSFOGRYCCPB-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP C[N@@H+](CC(=O)Nc1ccc(N)cc1Cl)C1CC[NH+](C)CC1 ZINC000019775781 182147279 /nfs/dbraw/zinc/14/72/79/182147279.db2.gz XAIFSFOGRYCCPB-UHFFFAOYSA-N 2 2 310.829 1.887 10 0 DDAELP CC[NH+](CC)c1ccc(NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000040861947 183143921 /nfs/dbraw/zinc/14/39/21/183143921.db2.gz HKEDEYJNQJJOLX-UHFFFAOYSA-N 2 2 312.439 1.095 10 0 DDAELP C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000049238115 183721509 /nfs/dbraw/zinc/72/15/09/183721509.db2.gz YSVGAYDZOIUAAF-NEPJUHHUSA-N 2 2 308.407 1.270 10 0 DDAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977923 184264360 /nfs/dbraw/zinc/26/43/60/184264360.db2.gz HNEOZTOFCLVNCX-SOUVJXGZSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062977923 184264361 /nfs/dbraw/zinc/26/43/61/184264361.db2.gz HNEOZTOFCLVNCX-SOUVJXGZSA-N 2 2 309.479 1.851 10 0 DDAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977923 184264363 /nfs/dbraw/zinc/26/43/63/184264363.db2.gz HNEOZTOFCLVNCX-SOUVJXGZSA-N 2 2 309.479 1.851 10 0 DDAELP CC[N@H+](Cc1noc(C[NH3+])n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000261725235 407592376 /nfs/dbraw/zinc/59/23/76/407592376.db2.gz LNQJNTRHDOWDOW-GFCCVEGCSA-N 2 2 304.394 1.990 10 0 DDAELP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171558801 407705597 /nfs/dbraw/zinc/70/55/97/407705597.db2.gz QBZNTAGRAPEPEI-KRWDZBQOSA-N 2 2 319.449 1.204 10 0 DDAELP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171558801 407705598 /nfs/dbraw/zinc/70/55/98/407705598.db2.gz QBZNTAGRAPEPEI-KRWDZBQOSA-N 2 2 319.449 1.204 10 0 DDAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262054049 407727048 /nfs/dbraw/zinc/72/70/48/407727048.db2.gz ZZPOWNSZCUESTC-XMTFNYHQSA-N 3 2 309.498 1.854 10 0 DDAELP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262054049 407727051 /nfs/dbraw/zinc/72/70/51/407727051.db2.gz ZZPOWNSZCUESTC-XMTFNYHQSA-N 3 2 309.498 1.854 10 0 DDAELP COC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000262279543 407781134 /nfs/dbraw/zinc/78/11/34/407781134.db2.gz LOYWYHZZFPJCSB-IOASZLSFSA-N 2 2 321.421 1.208 10 0 DDAELP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000262495971 407851733 /nfs/dbraw/zinc/85/17/33/407851733.db2.gz LKBBUXRDKBPLBX-AWEZNQCLSA-N 2 2 310.442 1.219 10 0 DDAELP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000262495971 407851737 /nfs/dbraw/zinc/85/17/37/407851737.db2.gz LKBBUXRDKBPLBX-AWEZNQCLSA-N 2 2 310.442 1.219 10 0 DDAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000246819130 408347553 /nfs/dbraw/zinc/34/75/53/408347553.db2.gz AMNUFFVOWXGUEO-JSGCOSHPSA-N 2 2 317.393 1.980 10 0 DDAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000246819130 408347565 /nfs/dbraw/zinc/34/75/65/408347565.db2.gz AMNUFFVOWXGUEO-JSGCOSHPSA-N 2 2 317.393 1.980 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nnnn1C1CC1 ZINC000248892520 408655315 /nfs/dbraw/zinc/65/53/15/408655315.db2.gz SJOURSAZFPQKLH-BXUZGUMPSA-N 2 2 301.398 1.739 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nnnn1C1CC1 ZINC000248892520 408655321 /nfs/dbraw/zinc/65/53/21/408655321.db2.gz SJOURSAZFPQKLH-BXUZGUMPSA-N 2 2 301.398 1.739 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCS(=O)(=O)C(C)C)C1 ZINC000178224028 408789384 /nfs/dbraw/zinc/78/93/84/408789384.db2.gz GPANHVKGVIJNHH-CQSZACIVSA-N 2 2 313.467 1.906 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCS(=O)(=O)C(C)C)C1 ZINC000178224028 408789385 /nfs/dbraw/zinc/78/93/85/408789385.db2.gz GPANHVKGVIJNHH-CQSZACIVSA-N 2 2 313.467 1.906 10 0 DDAELP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000301813118 410802376 /nfs/dbraw/zinc/80/23/76/410802376.db2.gz HRZZYZKQIJJABL-CQSZACIVSA-N 2 2 314.393 1.246 10 0 DDAELP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000301813118 410802379 /nfs/dbraw/zinc/80/23/79/410802379.db2.gz HRZZYZKQIJJABL-CQSZACIVSA-N 2 2 314.393 1.246 10 0 DDAELP C[C@H]1C[NH+](CC2(C[N@@H+]3CCS[C@@H](C)C3)COC2)CCS1 ZINC000248435935 300250221 /nfs/dbraw/zinc/25/02/21/300250221.db2.gz RWVVYTNGHCWZGV-KBPBESRZSA-N 2 2 316.536 1.878 10 0 DDAELP C[C@H]1C[NH+](CC2(C[N@H+]3CCS[C@@H](C)C3)COC2)CCS1 ZINC000248435935 300250231 /nfs/dbraw/zinc/25/02/31/300250231.db2.gz RWVVYTNGHCWZGV-KBPBESRZSA-N 2 2 316.536 1.878 10 0 DDAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000392971290 307294830 /nfs/dbraw/zinc/29/48/30/307294830.db2.gz MSNRGCIPVHKIBV-BHYGNILZSA-N 2 2 301.434 1.908 10 0 DDAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000392971290 307294831 /nfs/dbraw/zinc/29/48/31/307294831.db2.gz MSNRGCIPVHKIBV-BHYGNILZSA-N 2 2 301.434 1.908 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000262069712 484260961 /nfs/dbraw/zinc/26/09/61/484260961.db2.gz BYALACVPQJNHQL-DZGCQCFKSA-N 2 2 310.825 1.799 10 0 DDAELP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000886078348 708693703 /nfs/dbraw/zinc/69/37/03/708693703.db2.gz WBLQIKFZHDSDTC-XHSDSOJGSA-N 2 2 318.417 1.535 10 0 DDAELP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000886078348 708693705 /nfs/dbraw/zinc/69/37/05/708693705.db2.gz WBLQIKFZHDSDTC-XHSDSOJGSA-N 2 2 318.417 1.535 10 0 DDAELP NNc1nc(NCCCn2cc[nH+]c2)c(Br)c[nH+]1 ZINC000087884239 185234470 /nfs/dbraw/zinc/23/44/70/185234470.db2.gz PYKBALHOHGSAFS-UHFFFAOYSA-N 2 2 312.175 1.223 10 0 DDAELP O=C(Nc1cccc(Cl)c1-n1cc[nH+]c1)[C@H]1COCC[NH2+]1 ZINC000088358250 185247125 /nfs/dbraw/zinc/24/71/25/185247125.db2.gz HUZIUOGSJIKHBC-GFCCVEGCSA-N 2 2 306.753 1.453 10 0 DDAELP O=C([C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1)N1CC[NH2+]CC1 ZINC000092366698 185314309 /nfs/dbraw/zinc/31/43/09/185314309.db2.gz WQYGRLNNPVQOFY-ZDUSSCGKSA-N 2 2 308.813 1.131 10 0 DDAELP O=C([C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1)N1CC[NH2+]CC1 ZINC000092366698 185314310 /nfs/dbraw/zinc/31/43/10/185314310.db2.gz WQYGRLNNPVQOFY-ZDUSSCGKSA-N 2 2 308.813 1.131 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000246528548 354360358 /nfs/dbraw/zinc/36/03/58/354360358.db2.gz RSWJEAGFAFKMOV-WMLDXEAASA-N 2 2 317.433 1.053 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000246528548 354360361 /nfs/dbraw/zinc/36/03/61/354360361.db2.gz RSWJEAGFAFKMOV-WMLDXEAASA-N 2 2 317.433 1.053 10 0 DDAELP C[N@@H+]1CCO[C@H](c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000074890054 191380606 /nfs/dbraw/zinc/38/06/06/191380606.db2.gz FAMKTTOKZUGCDO-KBPBESRZSA-N 2 2 307.419 1.291 10 0 DDAELP C[N@H+]1CCO[C@H](c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C1 ZINC000074890054 191380611 /nfs/dbraw/zinc/38/06/11/191380611.db2.gz FAMKTTOKZUGCDO-KBPBESRZSA-N 2 2 307.419 1.291 10 0 DDAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000187553625 200127875 /nfs/dbraw/zinc/12/78/75/200127875.db2.gz ACAUEQBVTWOICR-OAHLLOKOSA-N 2 2 320.437 1.501 10 0 DDAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000187553625 200127876 /nfs/dbraw/zinc/12/78/76/200127876.db2.gz ACAUEQBVTWOICR-OAHLLOKOSA-N 2 2 320.437 1.501 10 0 DDAELP [NH3+][C@H](Cc1ccc(Cl)cc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094508435 193376015 /nfs/dbraw/zinc/37/60/15/193376015.db2.gz NGMZAEXPWWYUOA-ZIAGYGMSSA-N 2 2 300.233 1.863 10 0 DDAELP C[NH+](C)CCC[NH2+]CC(=O)Nc1ccccc1Br ZINC000020054168 182184540 /nfs/dbraw/zinc/18/45/40/182184540.db2.gz AGQHKFZVIVFLRG-UHFFFAOYSA-N 2 2 314.227 1.929 10 0 DDAELP CCCN(CC[NH+](C)C)CC[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000041674484 183215301 /nfs/dbraw/zinc/21/53/01/183215301.db2.gz YYASMFRIYJNPFY-MRXNPFEDSA-N 2 2 301.475 1.580 10 0 DDAELP CCC[NH2+][C@@](C)(CCN(CCC)CC[NH+](C)C)C(=O)OC ZINC000041674449 183215350 /nfs/dbraw/zinc/21/53/50/183215350.db2.gz TUILZBKRJSIFHO-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000105896350 194163634 /nfs/dbraw/zinc/16/36/34/194163634.db2.gz DWNNVECGNHLKLF-LLVKDONJSA-N 2 2 318.343 1.761 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000105896350 194163636 /nfs/dbraw/zinc/16/36/36/194163636.db2.gz DWNNVECGNHLKLF-LLVKDONJSA-N 2 2 318.343 1.761 10 0 DDAELP COC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915372 194169762 /nfs/dbraw/zinc/16/97/62/194169762.db2.gz XQMSLHGUCWYOAZ-RHSMWYFYSA-N 2 2 320.433 1.583 10 0 DDAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000106454246 194215847 /nfs/dbraw/zinc/21/58/47/194215847.db2.gz KZSJEQWKZRTNGC-INIZCTEOSA-N 2 2 300.406 1.562 10 0 DDAELP CC[NH2+][C@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145824 194395514 /nfs/dbraw/zinc/39/55/14/194395514.db2.gz QUGNQKMSNLCCRA-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CC[NH2+][C@](C)(CCC[N@@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145824 194395516 /nfs/dbraw/zinc/39/55/16/194395516.db2.gz QUGNQKMSNLCCRA-MRXNPFEDSA-N 3 2 301.475 1.581 10 0 DDAELP CC[N@@H+]1CCC[C@H](Nc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061539213 184172743 /nfs/dbraw/zinc/17/27/43/184172743.db2.gz GOGSLBJQOXNHTE-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP CC[N@H+]1CCC[C@H](Nc2nc(Cl)nc(-n3cc[nH+]c3)n2)C1 ZINC000061539213 184172745 /nfs/dbraw/zinc/17/27/45/184172745.db2.gz GOGSLBJQOXNHTE-JTQLQIEISA-N 2 2 307.789 1.607 10 0 DDAELP CC[NH2+][C@H]1CCCCC[C@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096380 184205773 /nfs/dbraw/zinc/20/57/73/184205773.db2.gz MWFDHUDCBUBPNI-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP CCC[NH2+][C@@H](CCN(CCC)CC[NH+](C)C)C(=O)OCC ZINC000062527903 184241867 /nfs/dbraw/zinc/24/18/67/184241867.db2.gz ZMYFYCPOGUAXNV-HNNXBMFYSA-N 2 2 301.475 1.581 10 0 DDAELP CCCOc1ccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000066142954 184392951 /nfs/dbraw/zinc/39/29/51/184392951.db2.gz NFRSCXGAUZFUSH-UHFFFAOYSA-N 2 2 305.422 1.582 10 0 DDAELP Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(C)[nH+]1 ZINC000154877885 197001883 /nfs/dbraw/zinc/00/18/83/197001883.db2.gz CKDSVHFIXNOCKE-AWEZNQCLSA-N 2 2 320.437 1.729 10 0 DDAELP O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccccc1 ZINC000012529596 406846674 /nfs/dbraw/zinc/84/66/74/406846674.db2.gz WPKGTWHCOCLZLQ-HSFUPAIVSA-N 2 2 318.417 1.115 10 0 DDAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cn2c1 ZINC000262029038 407717603 /nfs/dbraw/zinc/71/76/03/407717603.db2.gz XHQQSONWLNGIEG-BRWVUGGUSA-N 2 2 314.433 1.889 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@H]1C ZINC000117277217 407819169 /nfs/dbraw/zinc/81/91/69/407819169.db2.gz FSFBVYZCDWDFST-HZPDHXFCSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C[C@H]1C ZINC000117277217 407819171 /nfs/dbraw/zinc/81/91/71/407819171.db2.gz FSFBVYZCDWDFST-HZPDHXFCSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC000117277217 407819177 /nfs/dbraw/zinc/81/91/77/407819177.db2.gz FSFBVYZCDWDFST-HZPDHXFCSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC000117277217 407819181 /nfs/dbraw/zinc/81/91/81/407819181.db2.gz FSFBVYZCDWDFST-HZPDHXFCSA-N 2 2 311.470 1.430 10 0 DDAELP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117467752 407839103 /nfs/dbraw/zinc/83/91/03/407839103.db2.gz MYICRIAZNAQDOO-OAHLLOKOSA-N 2 2 323.441 1.025 10 0 DDAELP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117467752 407839110 /nfs/dbraw/zinc/83/91/10/407839110.db2.gz MYICRIAZNAQDOO-OAHLLOKOSA-N 2 2 323.441 1.025 10 0 DDAELP CC[NH+](CC)CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000180960511 407938979 /nfs/dbraw/zinc/93/89/79/407938979.db2.gz DZLNZGWDEFMOTD-CQSZACIVSA-N 2 2 307.442 1.582 10 0 DDAELP CC[NH+](CC)CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000180960511 407938987 /nfs/dbraw/zinc/93/89/87/407938987.db2.gz DZLNZGWDEFMOTD-CQSZACIVSA-N 2 2 307.442 1.582 10 0 DDAELP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263082881 408020842 /nfs/dbraw/zinc/02/08/42/408020842.db2.gz XREFGJHNXJPSRH-LLVKDONJSA-N 2 2 315.389 1.220 10 0 DDAELP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263082881 408020848 /nfs/dbraw/zinc/02/08/48/408020848.db2.gz XREFGJHNXJPSRH-LLVKDONJSA-N 2 2 315.389 1.220 10 0 DDAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(Cl)c1OC ZINC000263319144 408105390 /nfs/dbraw/zinc/10/53/90/408105390.db2.gz ZYOCAWQLHQQDKO-WDEREUQCSA-N 2 2 300.786 1.027 10 0 DDAELP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182753259 408240633 /nfs/dbraw/zinc/24/06/33/408240633.db2.gz SIRMACCUZLXLRU-OAHLLOKOSA-N 2 2 300.410 1.664 10 0 DDAELP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000182753259 408240637 /nfs/dbraw/zinc/24/06/37/408240637.db2.gz SIRMACCUZLXLRU-OAHLLOKOSA-N 2 2 300.410 1.664 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246414454 408250070 /nfs/dbraw/zinc/25/00/70/408250070.db2.gz BTJQVQQFAXYRNT-RRFJBIMHSA-N 2 2 302.422 1.531 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246414454 408250074 /nfs/dbraw/zinc/25/00/74/408250074.db2.gz BTJQVQQFAXYRNT-RRFJBIMHSA-N 2 2 302.422 1.531 10 0 DDAELP CCOc1ccnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000183175779 408343708 /nfs/dbraw/zinc/34/37/08/408343708.db2.gz CLMFVRHEPRBBKH-UHFFFAOYSA-N 2 2 316.409 1.284 10 0 DDAELP COCc1noc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000248460814 408573574 /nfs/dbraw/zinc/57/35/74/408573574.db2.gz OSASXUANUTYMPF-YPMHNXCESA-N 2 2 305.382 1.947 10 0 DDAELP COCc1noc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000248460814 408573580 /nfs/dbraw/zinc/57/35/80/408573580.db2.gz OSASXUANUTYMPF-YPMHNXCESA-N 2 2 305.382 1.947 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C2)[nH+]1 ZINC000185264677 408788122 /nfs/dbraw/zinc/78/81/22/408788122.db2.gz NXITXWQKEXVKEQ-ZDUSSCGKSA-N 2 2 316.409 1.773 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(N(C)C)no3)C2)[nH+]1 ZINC000185264677 408788125 /nfs/dbraw/zinc/78/81/25/408788125.db2.gz NXITXWQKEXVKEQ-ZDUSSCGKSA-N 2 2 316.409 1.773 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000178289337 408800794 /nfs/dbraw/zinc/80/07/94/408800794.db2.gz VQIMTABUUZWLJT-MRXNPFEDSA-N 2 2 323.404 1.832 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000178289337 408800797 /nfs/dbraw/zinc/80/07/97/408800797.db2.gz VQIMTABUUZWLJT-MRXNPFEDSA-N 2 2 323.404 1.832 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000263222605 163933403 /nfs/dbraw/zinc/93/34/03/163933403.db2.gz MEROFUAHPIMZHJ-CHWSQXEVSA-N 2 2 301.381 1.318 10 0 DDAELP Cc1ccc(N2CCC(Nc3cc[nH+]cc3C(N)=O)CC2)[nH+]c1 ZINC000302008935 230033509 /nfs/dbraw/zinc/03/35/09/230033509.db2.gz BQGILJPXCATONW-UHFFFAOYSA-N 2 2 311.389 1.965 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616595531 422514326 /nfs/dbraw/zinc/51/43/26/422514326.db2.gz NBBYGBZUIPKRRS-CYBMUJFWSA-N 2 2 310.398 1.629 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616595531 422514329 /nfs/dbraw/zinc/51/43/29/422514329.db2.gz NBBYGBZUIPKRRS-CYBMUJFWSA-N 2 2 310.398 1.629 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662743680 424753480 /nfs/dbraw/zinc/75/34/80/424753480.db2.gz KVUNZTXJNIUHRU-IAGOWNOFSA-N 2 2 318.465 1.046 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662743680 424753483 /nfs/dbraw/zinc/75/34/83/424753483.db2.gz KVUNZTXJNIUHRU-IAGOWNOFSA-N 2 2 318.465 1.046 10 0 DDAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000155847331 276802156 /nfs/dbraw/zinc/80/21/56/276802156.db2.gz SPOQYHXLWRBUGB-CVEARBPZSA-N 2 2 312.417 1.865 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000168336738 484090655 /nfs/dbraw/zinc/09/06/55/484090655.db2.gz OZOOVJNJVVXTLS-LBPRGKRZSA-N 2 2 302.378 1.975 10 0 DDAELP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928484 185237634 /nfs/dbraw/zinc/23/76/34/185237634.db2.gz CJXIHILAQQSNRQ-DGCLKSJQSA-N 2 2 312.797 1.880 10 0 DDAELP [NH3+][C@@H]1CCC2(C[C@@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419637 185249574 /nfs/dbraw/zinc/24/95/74/185249574.db2.gz OMRPAHFCADWWQU-NEPJUHHUSA-N 2 2 308.344 1.884 10 0 DDAELP Cc1[nH+]ccn1-c1cc2c(cc1Br)[C@@H]([NH3+])C(=O)N2 ZINC000092776152 185339974 /nfs/dbraw/zinc/33/99/74/185339974.db2.gz CQYWXMWPSDKZSF-LLVKDONJSA-N 2 2 307.151 1.895 10 0 DDAELP C[NH+](C)[C@H]1CCCN(c2cc(N[C@@H]3CCCOC3)[nH+]cn2)C1 ZINC000328621462 354548555 /nfs/dbraw/zinc/54/85/55/354548555.db2.gz AMVDCEHZCDCEIH-KGLIPLIRSA-N 2 2 305.426 1.598 10 0 DDAELP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262304637 203257050 /nfs/dbraw/zinc/25/70/50/203257050.db2.gz CCLRFGTWPCGKBJ-DZGCQCFKSA-N 2 2 314.389 1.428 10 0 DDAELP CCC[N@@H+]1CCO[C@@H](c2noc([C@H]([NH3+])CCSC)n2)C1 ZINC000093917095 193328344 /nfs/dbraw/zinc/32/83/44/193328344.db2.gz OMQGWGATFZLTJF-GHMZBOCLSA-N 2 2 300.428 1.606 10 0 DDAELP CCC[N@H+]1CCO[C@@H](c2noc([C@H]([NH3+])CCSC)n2)C1 ZINC000093917095 193328346 /nfs/dbraw/zinc/32/83/46/193328346.db2.gz OMQGWGATFZLTJF-GHMZBOCLSA-N 2 2 300.428 1.606 10 0 DDAELP Cc1cc(Br)cnc1N1CCC[N@H+](CC[NH3+])CC1 ZINC000094050186 193341417 /nfs/dbraw/zinc/34/14/17/193341417.db2.gz SCPRBGQMFXGYDF-UHFFFAOYSA-N 2 2 313.243 1.623 10 0 DDAELP Cc1cc(Br)cnc1N1CCC[N@@H+](CC[NH3+])CC1 ZINC000094050186 193341419 /nfs/dbraw/zinc/34/14/19/193341419.db2.gz SCPRBGQMFXGYDF-UHFFFAOYSA-N 2 2 313.243 1.623 10 0 DDAELP COCC[N@H+]([C@@H](C)COC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489403 193373840 /nfs/dbraw/zinc/37/38/40/193373840.db2.gz AAAHYAXVKCUFJW-ZFWWWQNUSA-N 2 2 304.500 1.830 10 0 DDAELP COCC[N@@H+]([C@@H](C)COC)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489403 193373841 /nfs/dbraw/zinc/37/38/41/193373841.db2.gz AAAHYAXVKCUFJW-ZFWWWQNUSA-N 2 2 304.500 1.830 10 0 DDAELP [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508547 193375171 /nfs/dbraw/zinc/37/51/71/193375171.db2.gz KATIKNMQBCQKEE-ZIAGYGMSSA-N 2 2 300.233 1.863 10 0 DDAELP [NH3+][C@H](Cc1ccc(Br)cc1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508363 193375176 /nfs/dbraw/zinc/37/51/76/193375176.db2.gz BYRXITAMPNIAJR-ZIAGYGMSSA-N 2 2 310.239 1.319 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508432 193375405 /nfs/dbraw/zinc/37/54/05/193375405.db2.gz NGMZAEXPWWYUOA-KBPBESRZSA-N 2 2 300.233 1.863 10 0 DDAELP C[NH2+][C@H](Cc1cccc(Br)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509024 193376135 /nfs/dbraw/zinc/37/61/35/193376135.db2.gz YDBKWDKZAPHSMN-HUUCEWRRSA-N 2 2 324.266 1.579 10 0 DDAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H]1C[NH+]2CCN1CC2 ZINC000094509267 193376166 /nfs/dbraw/zinc/37/61/66/193376166.db2.gz QIBRTDNAJKAMLQ-LSDHHAIUSA-N 2 2 309.841 1.479 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000042399016 183264007 /nfs/dbraw/zinc/26/40/07/183264007.db2.gz GXIWOVNHYXFVEV-JTQLQIEISA-N 2 2 307.257 1.913 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000042399016 183264009 /nfs/dbraw/zinc/26/40/09/183264009.db2.gz GXIWOVNHYXFVEV-JTQLQIEISA-N 2 2 307.257 1.913 10 0 DDAELP O=C(Nc1cccc(Cl)c1-n1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000043708396 183382472 /nfs/dbraw/zinc/38/24/72/183382472.db2.gz CBTCDOPTDLRMPP-GFCCVEGCSA-N 2 2 306.753 1.453 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C/C=C/Cl)CC2)C1 ZINC000105915327 194169432 /nfs/dbraw/zinc/16/94/32/194169432.db2.gz XQKWRYSPJQFGMK-NHZBNJEXSA-N 2 2 301.862 1.466 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C/C=C/Cl)CC2)C1 ZINC000105915327 194169435 /nfs/dbraw/zinc/16/94/35/194169435.db2.gz XQKWRYSPJQFGMK-NHZBNJEXSA-N 2 2 301.862 1.466 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000121056685 195288583 /nfs/dbraw/zinc/28/85/83/195288583.db2.gz OGYCGBJHYFTLBN-CABCVRRESA-N 2 2 319.453 1.912 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000121056685 195288584 /nfs/dbraw/zinc/28/85/84/195288584.db2.gz OGYCGBJHYFTLBN-CABCVRRESA-N 2 2 319.453 1.912 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(CCOC)no2)C1 ZINC000105897974 407357753 /nfs/dbraw/zinc/35/77/53/407357753.db2.gz SFDNDGKZWOFWSA-ZDUSSCGKSA-N 2 2 319.409 1.855 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(CCOC)no2)C1 ZINC000105897974 407357755 /nfs/dbraw/zinc/35/77/55/407357755.db2.gz SFDNDGKZWOFWSA-ZDUSSCGKSA-N 2 2 319.409 1.855 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778092 407613097 /nfs/dbraw/zinc/61/30/97/407613097.db2.gz FGVRJVQZZSEDTJ-QZTJIDSGSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778092 407613102 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CC[N@H+](C)[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263207338 408058585 /nfs/dbraw/zinc/05/85/85/408058585.db2.gz JWZKDLKRAXHRJB-GJZGRUSLSA-N 2 2 315.421 1.687 10 0 DDAELP CC[N@@H+](C)[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)c1ccccc1 ZINC000263207338 408058594 /nfs/dbraw/zinc/05/85/94/408058594.db2.gz JWZKDLKRAXHRJB-GJZGRUSLSA-N 2 2 315.421 1.687 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000263211779 408058689 /nfs/dbraw/zinc/05/86/89/408058689.db2.gz KJDYFGRECLBFFT-HNNXBMFYSA-N 2 2 324.388 1.558 10 0 DDAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299493 408290773 /nfs/dbraw/zinc/29/07/73/408290773.db2.gz HXPRWIMOZQVZRY-HOCLYGCPSA-N 2 2 320.433 1.955 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000246765898 408335449 /nfs/dbraw/zinc/33/54/49/408335449.db2.gz BZRZGRQSOJKBCZ-UKRRQHHQSA-N 2 2 319.453 1.676 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000246765898 408335453 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ZINC000262513349 698472883 /nfs/dbraw/zinc/47/28/83/698472883.db2.gz NDNMWRKDCWASTN-CQSZACIVSA-N 2 2 302.422 1.699 10 0 DDAELP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248639652 282095050 /nfs/dbraw/zinc/09/50/50/282095050.db2.gz BNWCYRYZUYZZQI-ZWKOTPCHSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248639652 282095054 /nfs/dbraw/zinc/09/50/54/282095054.db2.gz BNWCYRYZUYZZQI-ZWKOTPCHSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248639652 282095057 /nfs/dbraw/zinc/09/50/57/282095057.db2.gz BNWCYRYZUYZZQI-ZWKOTPCHSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248639652 282095061 /nfs/dbraw/zinc/09/50/61/282095061.db2.gz BNWCYRYZUYZZQI-ZWKOTPCHSA-N 2 2 321.465 1.621 10 0 DDAELP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248646876 282096569 /nfs/dbraw/zinc/09/65/69/282096569.db2.gz 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CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c1 ZINC000088751572 185264027 /nfs/dbraw/zinc/26/40/27/185264027.db2.gz ZEYLVJXJWIIQRC-CQSZACIVSA-N 2 2 308.407 1.559 10 0 DDAELP CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c1 ZINC000088751572 185264028 /nfs/dbraw/zinc/26/40/28/185264028.db2.gz ZEYLVJXJWIIQRC-CQSZACIVSA-N 2 2 308.407 1.559 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000303490457 539289034 /nfs/dbraw/zinc/28/90/34/539289034.db2.gz JUNWYZZCURSRTR-NZSAHSFTSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000303490457 539289036 /nfs/dbraw/zinc/28/90/36/539289036.db2.gz JUNWYZZCURSRTR-NZSAHSFTSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000303490457 539289037 /nfs/dbraw/zinc/28/90/37/539289037.db2.gz JUNWYZZCURSRTR-NZSAHSFTSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000303490457 539289039 /nfs/dbraw/zinc/28/90/39/539289039.db2.gz JUNWYZZCURSRTR-NZSAHSFTSA-N 2 2 317.477 1.960 10 0 DDAELP CN(C)S(=O)(=O)n1c[nH+]cc1CCCCCCCC[NH3+] ZINC000038819346 352298943 /nfs/dbraw/zinc/29/89/43/352298943.db2.gz DESCWWRYEFBJMB-UHFFFAOYSA-N 2 2 302.444 1.379 10 0 DDAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000236953399 202091574 /nfs/dbraw/zinc/09/15/74/202091574.db2.gz GHCABOYMTPOXCS-CZUORRHYSA-N 2 2 305.422 1.410 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@H+](C)Cc1csc(Br)c1 ZINC000042361972 183257886 /nfs/dbraw/zinc/25/78/86/183257886.db2.gz MIQQKPZWEDCFMD-JTQLQIEISA-N 2 2 307.257 1.913 10 0 DDAELP CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000042361972 183257889 /nfs/dbraw/zinc/25/78/89/183257889.db2.gz MIQQKPZWEDCFMD-JTQLQIEISA-N 2 2 307.257 1.913 10 0 DDAELP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110763506 194357554 /nfs/dbraw/zinc/35/75/54/194357554.db2.gz LVHMSZGWHOXUQM-GFCCVEGCSA-N 2 2 311.451 1.421 10 0 DDAELP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110763506 194357556 /nfs/dbraw/zinc/35/75/56/194357556.db2.gz LVHMSZGWHOXUQM-GFCCVEGCSA-N 2 2 311.451 1.421 10 0 DDAELP CC[NH2+][C@@H](CCN(CC[NH+](C)C)CC(C)C)C(=O)OCC ZINC000062456119 184237046 /nfs/dbraw/zinc/23/70/46/184237046.db2.gz OFNMXFLUHXZLNY-HNNXBMFYSA-N 2 2 301.475 1.437 10 0 DDAELP Cc1ccc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC000248120251 257107804 /nfs/dbraw/zinc/10/78/04/257107804.db2.gz UYMAEWZZOLAKMI-NXHRZFHOSA-N 2 2 320.433 1.757 10 0 DDAELP Cc1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)o1 ZINC000248120251 257107805 /nfs/dbraw/zinc/10/78/05/257107805.db2.gz UYMAEWZZOLAKMI-NXHRZFHOSA-N 2 2 320.433 1.757 10 0 DDAELP c1ccc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000263621727 257103968 /nfs/dbraw/zinc/10/39/68/257103968.db2.gz CCXNLURHYTZBJT-QRVBRYPASA-N 2 2 316.445 1.856 10 0 DDAELP c1ccc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000263621727 257103969 /nfs/dbraw/zinc/10/39/69/257103969.db2.gz CCXNLURHYTZBJT-QRVBRYPASA-N 2 2 316.445 1.856 10 0 DDAELP CCC[C@H](C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000121952192 195379917 /nfs/dbraw/zinc/37/99/17/195379917.db2.gz BKNPXAURKLIJIJ-HZPDHXFCSA-N 2 2 312.502 1.105 10 0 DDAELP CCC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000121952192 195379919 /nfs/dbraw/zinc/37/99/19/195379919.db2.gz BKNPXAURKLIJIJ-HZPDHXFCSA-N 2 2 312.502 1.105 10 0 DDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CC(C)(C)[NH3+])cc[nH+]1 ZINC000261627537 407556857 /nfs/dbraw/zinc/55/68/57/407556857.db2.gz CFOPKLVHYSEXBL-STQMWFEESA-N 3 2 324.448 1.129 10 0 DDAELP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC(C)(C)[NH3+])cc[nH+]1 ZINC000261627537 407556864 /nfs/dbraw/zinc/55/68/64/407556864.db2.gz CFOPKLVHYSEXBL-STQMWFEESA-N 3 2 324.448 1.129 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000178751611 407584984 /nfs/dbraw/zinc/58/49/84/407584984.db2.gz CEMBTPXSIZTWJA-LBPRGKRZSA-N 2 2 305.407 1.751 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nccs1 ZINC000178751611 407584985 /nfs/dbraw/zinc/58/49/85/407584985.db2.gz CEMBTPXSIZTWJA-LBPRGKRZSA-N 2 2 305.407 1.751 10 0 DDAELP C[C@@H]1C[C@@H](C[NH3+])CN1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000261818963 407625691 /nfs/dbraw/zinc/62/56/91/407625691.db2.gz HDTAIDMHPQEQET-OLZOCXBDSA-N 2 2 308.389 1.989 10 0 DDAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)CCCOC)C12CCOCC2 ZINC000186358690 407647457 /nfs/dbraw/zinc/64/74/57/407647457.db2.gz DPYQTIFZBRLVFI-CVEARBPZSA-N 2 2 314.470 1.519 10 0 DDAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)CCCOC)C12CCOCC2 ZINC000186358690 407647465 /nfs/dbraw/zinc/64/74/65/407647465.db2.gz DPYQTIFZBRLVFI-CVEARBPZSA-N 2 2 314.470 1.519 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1C ZINC000117277219 407818459 /nfs/dbraw/zinc/81/84/59/407818459.db2.gz FSFBVYZCDWDFST-CVEARBPZSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C[C@H]1C ZINC000117277219 407818465 /nfs/dbraw/zinc/81/84/65/407818465.db2.gz FSFBVYZCDWDFST-CVEARBPZSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC000117277219 407818470 /nfs/dbraw/zinc/81/84/70/407818470.db2.gz FSFBVYZCDWDFST-CVEARBPZSA-N 2 2 311.470 1.430 10 0 DDAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC000117277219 407818474 /nfs/dbraw/zinc/81/84/74/407818474.db2.gz FSFBVYZCDWDFST-CVEARBPZSA-N 2 2 311.470 1.430 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1Br ZINC000263245809 408072297 /nfs/dbraw/zinc/07/22/97/408072297.db2.gz PGVVFPZUMSDWOW-JOYOIKCWSA-N 2 2 319.630 1.772 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000175500660 408146055 /nfs/dbraw/zinc/14/60/55/408146055.db2.gz ONYVZJZRCPELLR-HNNXBMFYSA-N 2 2 316.409 1.652 10 0 DDAELP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000194232840 163277569 /nfs/dbraw/zinc/27/75/69/163277569.db2.gz BYLBBJFYGOTLHC-HOCLYGCPSA-N 2 2 305.422 1.126 10 0 DDAELP C[C@@H](C[NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000262444324 163830311 /nfs/dbraw/zinc/83/03/11/163830311.db2.gz VEFIWKBGWSHXHY-QMMMGPOBSA-N 2 2 311.183 1.308 10 0 DDAELP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000261721941 295370936 /nfs/dbraw/zinc/37/09/36/295370936.db2.gz NODZUHZFRGHGDC-GOEBONIOSA-N 2 2 317.433 1.860 10 0 DDAELP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000261721941 295370937 /nfs/dbraw/zinc/37/09/37/295370937.db2.gz NODZUHZFRGHGDC-GOEBONIOSA-N 2 2 317.433 1.860 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000262199396 484264688 /nfs/dbraw/zinc/26/46/88/484264688.db2.gz ZVVBSQMULBDLDF-JOYOIKCWSA-N 2 2 303.175 1.258 10 0 DDAELP Cc1nc(NCC2CC[NH+](CCO)CC2)c2c([nH+]1)CCCC2 ZINC000302033901 534623519 /nfs/dbraw/zinc/62/35/19/534623519.db2.gz DKGRRBAOZQKQPQ-UHFFFAOYSA-N 2 2 304.438 1.780 10 0 DDAELP Cn1ncnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309925594 545655883 /nfs/dbraw/zinc/65/58/83/545655883.db2.gz SVPILELNZUWJSN-GVDBMIGSSA-N 2 2 311.433 1.815 10 0 DDAELP Cn1ncnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309925594 545655886 /nfs/dbraw/zinc/65/58/86/545655886.db2.gz SVPILELNZUWJSN-GVDBMIGSSA-N 2 2 311.433 1.815 10 0 DDAELP COC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000176079397 697400728 /nfs/dbraw/zinc/40/07/28/697400728.db2.gz LCLGSKSTSACMOP-WBVHZDCISA-N 2 2 320.437 1.498 10 0 DDAELP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000261668389 698431840 /nfs/dbraw/zinc/43/18/40/698431840.db2.gz LDBSQGPULFGELJ-CQSZACIVSA-N 2 2 307.463 1.925 10 0 DDAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928483 185237791 /nfs/dbraw/zinc/23/77/91/185237791.db2.gz CJXIHILAQQSNRQ-AAEUAGOBSA-N 2 2 312.797 1.880 10 0 DDAELP C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088543119 185256017 /nfs/dbraw/zinc/25/60/17/185256017.db2.gz FXCYICVWRXWQMA-NSHDSACASA-N 2 2 315.439 1.150 10 0 DDAELP C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C[NH2+]C(C)(C)C)o2)C1 ZINC000088543119 185256018 /nfs/dbraw/zinc/25/60/18/185256018.db2.gz FXCYICVWRXWQMA-NSHDSACASA-N 2 2 315.439 1.150 10 0 DDAELP COCc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624575 354549665 /nfs/dbraw/zinc/54/96/65/354549665.db2.gz CNRIPGLJPPNKBE-NEPJUHHUSA-N 2 2 305.382 1.668 10 0 DDAELP COCc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624575 354549666 /nfs/dbraw/zinc/54/96/66/354549666.db2.gz CNRIPGLJPPNKBE-NEPJUHHUSA-N 2 2 305.382 1.668 10 0 DDAELP NC(=O)c1cnn2c1CC[C@@H](C[NH2+]Cc1cccc3[nH+]ccn31)C2 ZINC000328627297 354551589 /nfs/dbraw/zinc/55/15/89/354551589.db2.gz GAOQMIQNUXNHQB-LBPRGKRZSA-N 2 2 324.388 1.766 10 0 DDAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093523434 193264311 /nfs/dbraw/zinc/26/43/11/193264311.db2.gz IUJYTKCEJGSGFG-KGLIPLIRSA-N 2 2 304.500 1.910 10 0 DDAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093523434 193264312 /nfs/dbraw/zinc/26/43/12/193264312.db2.gz IUJYTKCEJGSGFG-KGLIPLIRSA-N 2 2 304.500 1.910 10 0 DDAELP COCC[N@H+](C)CC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094372295 193366796 /nfs/dbraw/zinc/36/67/96/193366796.db2.gz GSCYWJHIGRWSIE-AWEZNQCLSA-N 2 2 302.484 1.599 10 0 DDAELP COCC[N@@H+](C)CC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094372295 193366798 /nfs/dbraw/zinc/36/67/98/193366798.db2.gz GSCYWJHIGRWSIE-AWEZNQCLSA-N 2 2 302.484 1.599 10 0 DDAELP [NH3+]Cc1ccccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439531 193369591 /nfs/dbraw/zinc/36/95/91/193369591.db2.gz CKYFZXYICONIOE-CQSZACIVSA-N 2 2 309.435 1.004 10 0 DDAELP [NH3+]Cc1ccccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439531 193369593 /nfs/dbraw/zinc/36/95/93/193369593.db2.gz CKYFZXYICONIOE-CQSZACIVSA-N 2 2 309.435 1.004 10 0 DDAELP C[NH+](C)CCC[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000020054166 182184587 /nfs/dbraw/zinc/18/45/87/182184587.db2.gz URTGNFSSMRFNGM-UHFFFAOYSA-N 2 2 314.227 1.929 10 0 DDAELP Nc1ccc2[nH]c(CCSc3nc(N)cc(N)[nH+]3)[nH+]c2c1 ZINC000041023551 183156821 /nfs/dbraw/zinc/15/68/21/183156821.db2.gz HQYQPFFSZKXFRV-UHFFFAOYSA-N 2 2 301.379 1.434 10 0 DDAELP C[NH2+]CC1(C[NH+]2CCN(CC(F)(F)F)CC2)CCOCC1 ZINC000061947772 184197799 /nfs/dbraw/zinc/19/77/99/184197799.db2.gz IKYOITLDTSZUNV-UHFFFAOYSA-N 2 2 309.376 1.183 10 0 DDAELP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082112 184204920 /nfs/dbraw/zinc/20/49/20/184204920.db2.gz CIWZWOIRUPLZNQ-QLFBSQMISA-N 2 2 317.499 1.107 10 0 DDAELP CCC[NH2+][C@H](CCN(CC[NH+](C)C)CC(C)C)C(=O)OC ZINC000062456440 184237576 /nfs/dbraw/zinc/23/75/76/184237576.db2.gz QQOZYLXNQBDVFK-OAHLLOKOSA-N 2 2 301.475 1.437 10 0 DDAELP CCCN(CC[C@@H]([NH2+]C(C)C)C(=O)OCC)CC[NH+](C)C ZINC000062527910 184241789 /nfs/dbraw/zinc/24/17/89/184241789.db2.gz JSGWEGUQWOTJTB-OAHLLOKOSA-N 2 2 301.475 1.580 10 0 DDAELP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000062324787 184230381 /nfs/dbraw/zinc/23/03/81/184230381.db2.gz BIAVDKNDTLOZTP-LLVKDONJSA-N 2 2 308.407 1.261 10 0 DDAELP Cc1c[nH+]ccc1NC(=O)c1cccc(N2CCC[NH2+]CC2)n1 ZINC000222922019 407562394 /nfs/dbraw/zinc/56/23/94/407562394.db2.gz CZKMNHNWMZYQNI-UHFFFAOYSA-N 2 2 311.389 1.837 10 0 DDAELP CCOC(C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)OCC ZINC000124182663 407350705 /nfs/dbraw/zinc/35/07/05/407350705.db2.gz SMYLGILXSSEMRQ-UHFFFAOYSA-N 2 2 324.469 1.678 10 0 DDAELP CCOC(C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)OCC ZINC000124182663 407350707 /nfs/dbraw/zinc/35/07/07/407350707.db2.gz SMYLGILXSSEMRQ-UHFFFAOYSA-N 2 2 324.469 1.678 10 0 DDAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000108951945 407393034 /nfs/dbraw/zinc/39/30/34/407393034.db2.gz ZXCNFTFDNUUYMA-CQSZACIVSA-N 2 2 305.426 1.234 10 0 DDAELP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000108951945 407393036 /nfs/dbraw/zinc/39/30/36/407393036.db2.gz ZXCNFTFDNUUYMA-CQSZACIVSA-N 2 2 305.426 1.234 10 0 DDAELP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048445 407724077 /nfs/dbraw/zinc/72/40/77/407724077.db2.gz ZIWQYBNBJRHJGG-QRVBRYPASA-N 2 2 317.477 1.865 10 0 DDAELP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048445 407724084 /nfs/dbraw/zinc/72/40/84/407724084.db2.gz ZIWQYBNBJRHJGG-QRVBRYPASA-N 2 2 317.477 1.865 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](COC)C2CC2)nc[nH+]1 ZINC000180565475 407900341 /nfs/dbraw/zinc/90/03/41/407900341.db2.gz MORSUZDDASOMPB-KGLIPLIRSA-N 2 2 305.426 1.502 10 0 DDAELP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000246703318 408320366 /nfs/dbraw/zinc/32/03/66/408320366.db2.gz WJSVUNZZYVYPBT-HOTGVXAUSA-N 2 2 305.422 1.256 10 0 DDAELP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000246703318 408320368 /nfs/dbraw/zinc/32/03/68/408320368.db2.gz WJSVUNZZYVYPBT-HOTGVXAUSA-N 2 2 305.422 1.256 10 0 DDAELP CC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589684 162228655 /nfs/dbraw/zinc/22/86/55/162228655.db2.gz QRBUKWFXOILHKQ-HNNXBMFYSA-N 2 2 321.469 1.194 10 0 DDAELP CC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171589684 162228656 /nfs/dbraw/zinc/22/86/56/162228656.db2.gz QRBUKWFXOILHKQ-HNNXBMFYSA-N 2 2 321.469 1.194 10 0 DDAELP CCCS(=O)(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516018 163326684 /nfs/dbraw/zinc/32/66/84/163326684.db2.gz MADJHDCMYHNXTH-CQSZACIVSA-N 2 2 311.451 1.640 10 0 DDAELP CCCS(=O)(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516018 163326687 /nfs/dbraw/zinc/32/66/87/163326687.db2.gz MADJHDCMYHNXTH-CQSZACIVSA-N 2 2 311.451 1.640 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000262008568 279349486 /nfs/dbraw/zinc/34/94/86/279349486.db2.gz VGYXHUNYGRCYQO-ZKXLYKBJSA-N 3 2 309.498 1.996 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000262008568 279349488 /nfs/dbraw/zinc/34/94/88/279349488.db2.gz VGYXHUNYGRCYQO-ZKXLYKBJSA-N 3 2 309.498 1.996 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000246994338 282028059 /nfs/dbraw/zinc/02/80/59/282028059.db2.gz KIDGCUHHLCZICS-YESZJQIVSA-N 2 2 323.437 1.212 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000246994338 282028064 /nfs/dbraw/zinc/02/80/64/282028064.db2.gz KIDGCUHHLCZICS-YESZJQIVSA-N 2 2 323.437 1.212 10 0 DDAELP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262433274 298162254 /nfs/dbraw/zinc/16/22/54/298162254.db2.gz UAURGXPQAQVYAL-WMLDXEAASA-N 2 2 317.433 1.032 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2c[nH]nc2C)nc[nH+]1 ZINC000180851226 539236421 /nfs/dbraw/zinc/23/64/21/539236421.db2.gz KHDYECLBVCFJRQ-WCQYABFASA-N 2 2 315.425 1.869 10 0 DDAELP CNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)o1 ZINC000088540721 185255934 /nfs/dbraw/zinc/25/59/34/185255934.db2.gz DDYLGDMJMNDXRW-GFCCVEGCSA-N 2 2 315.439 1.009 10 0 DDAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337694 185292019 /nfs/dbraw/zinc/29/20/19/185292019.db2.gz LKZYXIUDIMXYHR-CMPLNLGQSA-N 2 2 304.419 1.186 10 0 DDAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337694 185292020 /nfs/dbraw/zinc/29/20/20/185292020.db2.gz LKZYXIUDIMXYHR-CMPLNLGQSA-N 2 2 304.419 1.186 10 0 DDAELP C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000121173676 354017002 /nfs/dbraw/zinc/01/70/02/354017002.db2.gz PGFPFEWZVQBAER-FUHWJXTLSA-N 2 2 317.433 1.146 10 0 DDAELP C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000121173676 354017005 /nfs/dbraw/zinc/01/70/05/354017005.db2.gz PGFPFEWZVQBAER-FUHWJXTLSA-N 2 2 317.433 1.146 10 0 DDAELP CO[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655626 354560407 /nfs/dbraw/zinc/56/04/07/354560407.db2.gz YONGBUTWLDCBBQ-NEPJUHHUSA-N 2 2 305.382 1.668 10 0 DDAELP CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328655626 354560410 /nfs/dbraw/zinc/56/04/10/354560410.db2.gz YONGBUTWLDCBBQ-NEPJUHHUSA-N 2 2 305.382 1.668 10 0 DDAELP OCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000398955975 354656768 /nfs/dbraw/zinc/65/67/68/354656768.db2.gz IDDJEOXARFNEBU-UHFFFAOYSA-N 2 2 314.433 1.478 10 0 DDAELP CC[NH+]1CCN(C(=O)Cc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000074974959 191399769 /nfs/dbraw/zinc/39/97/69/191399769.db2.gz DCAZORHKOCNWGM-UHFFFAOYSA-N 2 2 300.406 1.588 10 0 DDAELP COc1ccc([C@H](NC(=O)C[NH+]2CCC([NH3+])CC2)C2CC2)cc1 ZINC000237349824 202240595 /nfs/dbraw/zinc/24/05/95/202240595.db2.gz XTRUFCPUHTVSBU-GOSISDBHSA-N 2 2 317.433 1.686 10 0 DDAELP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696586 193291932 /nfs/dbraw/zinc/29/19/32/193291932.db2.gz APGDCJBJQHLTRB-CABCVRRESA-N 2 2 317.499 1.122 10 0 DDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696640 193292154 /nfs/dbraw/zinc/29/21/54/193292154.db2.gz NFQKHLHGRXPYIW-LSDHHAIUSA-N 2 2 319.515 1.224 10 0 DDAELP C[C@H]([NH3+])c1nc(-c2nc([C@H]3C[N@H+](C)CCN3C)no2)cs1 ZINC000093892792 193323624 /nfs/dbraw/zinc/32/36/24/193323624.db2.gz PAWGHKHUTOLLOY-WCBMZHEXSA-N 2 2 308.411 1.131 10 0 DDAELP C[C@H]([NH3+])c1nc(-c2nc([C@H]3C[N@@H+](C)CCN3C)no2)cs1 ZINC000093892792 193323625 /nfs/dbraw/zinc/32/36/25/193323625.db2.gz PAWGHKHUTOLLOY-WCBMZHEXSA-N 2 2 308.411 1.131 10 0 DDAELP Cc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093926095 193327988 /nfs/dbraw/zinc/32/79/88/193327988.db2.gz RPTRSPWJQNSBAT-AAEUAGOBSA-N 2 2 300.834 1.361 10 0 DDAELP Cc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093926095 193327989 /nfs/dbraw/zinc/32/79/89/193327989.db2.gz RPTRSPWJQNSBAT-AAEUAGOBSA-N 2 2 300.834 1.361 10 0 DDAELP CC[NH2+]Cc1cc(F)c(OC[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000094346761 193363762 /nfs/dbraw/zinc/36/37/62/193363762.db2.gz UYVGVPMWGOEPKC-LBPRGKRZSA-N 2 2 300.349 1.784 10 0 DDAELP CC[NH2+]Cc1cc(F)c(OC[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000094346761 193363763 /nfs/dbraw/zinc/36/37/63/193363763.db2.gz UYVGVPMWGOEPKC-LBPRGKRZSA-N 2 2 300.349 1.784 10 0 DDAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000263167154 284542893 /nfs/dbraw/zinc/54/28/93/284542893.db2.gz FHDSWZUNHOYCDU-CHWSQXEVSA-N 2 2 301.381 1.461 10 0 DDAELP CCc1nc(C[N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)cs1 ZINC000040508432 183086160 /nfs/dbraw/zinc/08/61/60/183086160.db2.gz GMBOUGPZVINTQN-ZDUSSCGKSA-N 2 2 308.451 1.102 10 0 DDAELP CCc1nc(C[N@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)cs1 ZINC000040508432 183086162 /nfs/dbraw/zinc/08/61/62/183086162.db2.gz GMBOUGPZVINTQN-ZDUSSCGKSA-N 2 2 308.451 1.102 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000105897708 194162499 /nfs/dbraw/zinc/16/24/99/194162499.db2.gz CWKCVURCTZLMOT-CYBMUJFWSA-N 2 2 319.409 1.024 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000105897708 194162501 /nfs/dbraw/zinc/16/25/01/194162501.db2.gz CWKCVURCTZLMOT-CYBMUJFWSA-N 2 2 319.409 1.024 10 0 DDAELP CC[N@@H+]1CCN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)C[C@@H]1C ZINC000110763470 194356484 /nfs/dbraw/zinc/35/64/84/194356484.db2.gz AHRUVKPFRSUHKH-QWHCGFSZSA-N 2 2 311.451 1.421 10 0 DDAELP CC[N@H+]1CCN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)C[C@@H]1C ZINC000110763470 194356486 /nfs/dbraw/zinc/35/64/86/194356486.db2.gz AHRUVKPFRSUHKH-QWHCGFSZSA-N 2 2 311.451 1.421 10 0 DDAELP CC[NH2+][C@](C)(CCC[NH+]1CCC(COC)CC1)C(=O)OC ZINC000069507520 184520729 /nfs/dbraw/zinc/52/07/29/184520729.db2.gz LTGPCCRLSIWUAY-MRXNPFEDSA-N 2 2 300.443 1.666 10 0 DDAELP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3nccs3)CC[C@H]2C1 ZINC000247815249 257117498 /nfs/dbraw/zinc/11/74/98/257117498.db2.gz ATALYBPDXPDUGZ-KBPBESRZSA-N 2 2 311.451 1.312 10 0 DDAELP COCC[N@H+]1CCO[C@H]2C[NH+](Cc3nccs3)CC[C@H]2C1 ZINC000247815249 257117499 /nfs/dbraw/zinc/11/74/99/257117499.db2.gz ATALYBPDXPDUGZ-KBPBESRZSA-N 2 2 311.451 1.312 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@H+](Cc3nccs3)CC[C@H]2C1 ZINC000247815249 257117501 /nfs/dbraw/zinc/11/75/01/257117501.db2.gz ATALYBPDXPDUGZ-KBPBESRZSA-N 2 2 311.451 1.312 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3nccs3)CC[C@H]2C1 ZINC000247815249 257117502 /nfs/dbraw/zinc/11/75/02/257117502.db2.gz ATALYBPDXPDUGZ-KBPBESRZSA-N 2 2 311.451 1.312 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000121678376 195328389 /nfs/dbraw/zinc/32/83/89/195328389.db2.gz PPOSNDDWHIZYSG-CQSZACIVSA-N 2 2 301.394 1.914 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000121678376 195328391 /nfs/dbraw/zinc/32/83/91/195328391.db2.gz PPOSNDDWHIZYSG-CQSZACIVSA-N 2 2 301.394 1.914 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965907 407693923 /nfs/dbraw/zinc/69/39/23/407693923.db2.gz PZJNXKNCVXDKTE-ZKXLYKBJSA-N 3 2 309.498 1.854 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965907 407693931 /nfs/dbraw/zinc/69/39/31/407693931.db2.gz PZJNXKNCVXDKTE-ZKXLYKBJSA-N 3 2 309.498 1.854 10 0 DDAELP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000261981436 407702192 /nfs/dbraw/zinc/70/21/92/407702192.db2.gz RSPASCIJLBIKCG-JONQDZQNSA-N 3 2 304.438 1.507 10 0 DDAELP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCSC1 ZINC000261998428 407706741 /nfs/dbraw/zinc/70/67/41/407706741.db2.gz UGFASBVYTCBRJI-WCVJEAGWSA-N 2 2 313.511 1.170 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCSc4ccccc43)C[C@@H]12 ZINC000262554883 407865958 /nfs/dbraw/zinc/86/59/58/407865958.db2.gz TYPCDOVWCODQEX-MGPQQGTHSA-N 2 2 317.458 1.794 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCSc4ccccc43)C[C@@H]12 ZINC000262554883 407865961 /nfs/dbraw/zinc/86/59/61/407865961.db2.gz TYPCDOVWCODQEX-MGPQQGTHSA-N 2 2 317.458 1.794 10 0 DDAELP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187394140 407851835 /nfs/dbraw/zinc/85/18/35/407851835.db2.gz DNZRGCHNGDUEQE-GOEBONIOSA-N 2 2 316.511 1.910 10 0 DDAELP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000187394140 407851838 /nfs/dbraw/zinc/85/18/38/407851838.db2.gz DNZRGCHNGDUEQE-GOEBONIOSA-N 2 2 316.511 1.910 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000263226481 408064568 /nfs/dbraw/zinc/06/45/68/408064568.db2.gz GOXCMQRXIABAMF-CMPLNLGQSA-N 2 2 312.439 1.287 10 0 DDAELP COC[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000263226481 408064574 /nfs/dbraw/zinc/06/45/74/408064574.db2.gz GOXCMQRXIABAMF-CMPLNLGQSA-N 2 2 312.439 1.287 10 0 DDAELP CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121352215 408190170 /nfs/dbraw/zinc/19/01/70/408190170.db2.gz OTNHWVOZIUNYMS-HZPDHXFCSA-N 2 2 323.481 1.430 10 0 DDAELP CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121352215 408190176 /nfs/dbraw/zinc/19/01/76/408190176.db2.gz OTNHWVOZIUNYMS-HZPDHXFCSA-N 2 2 323.481 1.430 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000246789391 408338999 /nfs/dbraw/zinc/33/89/99/408338999.db2.gz UKZKTDJPSHXEMT-CABCVRRESA-N 2 2 305.426 1.541 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000246789391 408339005 /nfs/dbraw/zinc/33/90/05/408339005.db2.gz UKZKTDJPSHXEMT-CABCVRRESA-N 2 2 305.426 1.541 10 0 DDAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000247017619 408387715 /nfs/dbraw/zinc/38/77/15/408387715.db2.gz LOQADSKVGAXCFC-PGKMIFDNSA-N 2 2 324.490 1.921 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)cn2c1 ZINC000247197158 408426680 /nfs/dbraw/zinc/42/66/80/408426680.db2.gz OROCMNCBXDIKKJ-GJZGRUSLSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cn2c1 ZINC000247197158 408426686 /nfs/dbraw/zinc/42/66/86/408426686.db2.gz OROCMNCBXDIKKJ-GJZGRUSLSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)cn2c1 ZINC000247197140 408428180 /nfs/dbraw/zinc/42/81/80/408428180.db2.gz OROCMNCBXDIKKJ-CABCVRRESA-N 2 2 302.422 1.530 10 0 DDAELP Cc1ccc2[nH+]c(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cn2c1 ZINC000247197140 408428184 /nfs/dbraw/zinc/42/81/84/408428184.db2.gz OROCMNCBXDIKKJ-CABCVRRESA-N 2 2 302.422 1.530 10 0 DDAELP C[N@H+](CC[C@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182303 163088365 /nfs/dbraw/zinc/08/83/65/163088365.db2.gz UGTAWFHBDACTMK-QGZVFWFLSA-N 2 2 306.454 1.848 10 0 DDAELP C[N@@H+](CC[C@H]1CCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182303 163088368 /nfs/dbraw/zinc/08/83/68/163088368.db2.gz UGTAWFHBDACTMK-QGZVFWFLSA-N 2 2 306.454 1.848 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3C(C)C)C2)[nH+]1 ZINC000195516350 163325810 /nfs/dbraw/zinc/32/58/10/163325810.db2.gz CIESXWXXKXKEHQ-AWEZNQCLSA-N 2 2 315.425 1.891 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnnn3C(C)C)C2)[nH+]1 ZINC000195516350 163325811 /nfs/dbraw/zinc/32/58/11/163325811.db2.gz CIESXWXXKXKEHQ-AWEZNQCLSA-N 2 2 315.425 1.891 10 0 DDAELP Cn1cc[nH+]c1CN(Cc1ccon1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261668960 222253642 /nfs/dbraw/zinc/25/36/42/222253642.db2.gz BTOPKHBDMBIBML-CQSZACIVSA-N 2 2 301.394 1.552 10 0 DDAELP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262044770 277386439 /nfs/dbraw/zinc/38/64/39/277386439.db2.gz YYHINDFHIFSCGU-KURKYZTESA-N 3 2 309.498 1.854 10 0 DDAELP C[C@@H]1C[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000246306260 288141528 /nfs/dbraw/zinc/14/15/28/288141528.db2.gz BOFKZTMSKKUBGD-BFYDXBDKSA-N 2 2 319.449 1.515 10 0 DDAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262366999 484270088 /nfs/dbraw/zinc/27/00/88/484270088.db2.gz VUALHQVLLFQQMW-XJKSGUPXSA-N 2 2 313.357 1.184 10 0 DDAELP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261879944 698443149 /nfs/dbraw/zinc/44/31/49/698443149.db2.gz FGKSFPHSEMZPJN-SQNIBIBYSA-N 3 2 307.482 1.608 10 0 DDAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000262374039 698466680 /nfs/dbraw/zinc/46/66/80/698466680.db2.gz XROKOLIJASWZCJ-NFAWXSAZSA-N 2 2 306.406 1.875 10 0 DDAELP C[NH+]1CCC([NH+]2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000082348102 185176856 /nfs/dbraw/zinc/17/68/56/185176856.db2.gz AHYFSLFLYWTTLD-UHFFFAOYSA-N 2 2 301.434 1.468 10 0 DDAELP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCCc2c[nH+]c[nH]2)c1 ZINC000087545699 185228008 /nfs/dbraw/zinc/22/80/08/185228008.db2.gz KENDREZSLMMNCQ-AWEZNQCLSA-N 2 2 308.407 1.341 10 0 DDAELP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCCc2c[nH]c[nH+]2)c1 ZINC000087545699 185228009 /nfs/dbraw/zinc/22/80/09/185228009.db2.gz KENDREZSLMMNCQ-AWEZNQCLSA-N 2 2 308.407 1.341 10 0 DDAELP COc1c(C)c[nH+]c(CSc2nnc(C)n2CC[NH3+])c1C ZINC000087711375 185230990 /nfs/dbraw/zinc/23/09/90/185230990.db2.gz WLVFYKFQYVZASO-UHFFFAOYSA-N 2 2 307.423 1.858 10 0 DDAELP Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000108951730 185543369 /nfs/dbraw/zinc/54/33/69/185543369.db2.gz JQDBHJFYIPCZSG-HNNXBMFYSA-N 2 2 313.405 1.614 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853952 539509944 /nfs/dbraw/zinc/50/99/44/539509944.db2.gz YHSGDJYWQRGDIB-BHIYHBOVSA-N 2 2 317.477 1.817 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853952 539509950 /nfs/dbraw/zinc/50/99/50/539509950.db2.gz YHSGDJYWQRGDIB-BHIYHBOVSA-N 2 2 317.477 1.817 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853952 539509955 /nfs/dbraw/zinc/50/99/55/539509955.db2.gz YHSGDJYWQRGDIB-BHIYHBOVSA-N 2 2 317.477 1.817 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389853952 539509959 /nfs/dbraw/zinc/50/99/59/539509959.db2.gz YHSGDJYWQRGDIB-BHIYHBOVSA-N 2 2 317.477 1.817 10 0 DDAELP c1ccc(NC[C@@H]2CC[N@@H+](CCCN3CCOCC3)C2)[nH+]c1 ZINC000173778877 198250605 /nfs/dbraw/zinc/25/06/05/198250605.db2.gz SSHXSTZEMYPBJA-INIZCTEOSA-N 2 2 304.438 1.538 10 0 DDAELP c1ccc(NC[C@@H]2CC[N@H+](CCCN3CCOCC3)C2)[nH+]c1 ZINC000173778877 198250607 /nfs/dbraw/zinc/25/06/07/198250607.db2.gz SSHXSTZEMYPBJA-INIZCTEOSA-N 2 2 304.438 1.538 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328654076 354560468 /nfs/dbraw/zinc/56/04/68/354560468.db2.gz XDNVKGVKUOOTSD-GFCCVEGCSA-N 2 2 318.381 1.291 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1nc(C(N)=O)no1 ZINC000328654076 354560470 /nfs/dbraw/zinc/56/04/70/354560470.db2.gz XDNVKGVKUOOTSD-GFCCVEGCSA-N 2 2 318.381 1.291 10 0 DDAELP O[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C[NH+]1CCCCC1 ZINC000194997311 201322855 /nfs/dbraw/zinc/32/28/55/201322855.db2.gz VTJISGDKEYWSBL-HOTGVXAUSA-N 2 2 315.421 1.331 10 0 DDAELP C[N@@H+]1CCO[C@H](COc2c(Br)cccc2C[NH3+])C1 ZINC000092054353 193149042 /nfs/dbraw/zinc/14/90/42/193149042.db2.gz PNRFLPFWNGOUTO-NSHDSACASA-N 2 2 315.211 1.617 10 0 DDAELP C[N@H+]1CCO[C@H](COc2c(Br)cccc2C[NH3+])C1 ZINC000092054353 193149043 /nfs/dbraw/zinc/14/90/43/193149043.db2.gz PNRFLPFWNGOUTO-NSHDSACASA-N 2 2 315.211 1.617 10 0 DDAELP [NH3+]CC1([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCS(=O)(=O)CC1 ZINC000042332364 183255049 /nfs/dbraw/zinc/25/50/49/183255049.db2.gz DNSAWABUORCKKY-KGLIPLIRSA-N 2 2 300.468 1.547 10 0 DDAELP [NH3+]CC1([N@H+]2CCC[C@H]3CCCC[C@@H]32)CCS(=O)(=O)CC1 ZINC000042332364 183255052 /nfs/dbraw/zinc/25/50/52/183255052.db2.gz DNSAWABUORCKKY-KGLIPLIRSA-N 2 2 300.468 1.547 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105142961 194078796 /nfs/dbraw/zinc/07/87/96/194078796.db2.gz POQJGAPNTIJCTQ-OAHLLOKOSA-N 2 2 317.437 1.763 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105142961 194078798 /nfs/dbraw/zinc/07/87/98/194078798.db2.gz POQJGAPNTIJCTQ-OAHLLOKOSA-N 2 2 317.437 1.763 10 0 DDAELP COC(=O)[C@H](CCN(CC[NH+](C)C)CC(C)C)[NH2+]C(C)C ZINC000062456443 184237236 /nfs/dbraw/zinc/23/72/36/184237236.db2.gz NQLCSVLVPZTHLK-HNNXBMFYSA-N 2 2 301.475 1.436 10 0 DDAELP CC(C)[NH2+]Cc1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062975229 184263898 /nfs/dbraw/zinc/26/38/98/184263898.db2.gz WMVMSXLAHWVQGO-ZDUSSCGKSA-N 2 2 310.467 1.552 10 0 DDAELP CC(C)Oc1ccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000066142969 184393059 /nfs/dbraw/zinc/39/30/59/184393059.db2.gz ZWARCTKZDNPNSM-UHFFFAOYSA-N 2 2 305.422 1.580 10 0 DDAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@@H+](C4CCOCC4)C[C@@H]23)[nH+]c1 ZINC000248032637 257110916 /nfs/dbraw/zinc/11/09/16/257110916.db2.gz IMHMNGLWDNHAHH-KBMXLJTQSA-N 2 2 303.406 1.619 10 0 DDAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@H+](C4CCOCC4)C[C@@H]23)[nH+]c1 ZINC000248032637 257110917 /nfs/dbraw/zinc/11/09/17/257110917.db2.gz IMHMNGLWDNHAHH-KBMXLJTQSA-N 2 2 303.406 1.619 10 0 DDAELP Fc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000503716990 257209562 /nfs/dbraw/zinc/20/95/62/257209562.db2.gz KRBZUNYZKHVZOA-SJLPKXTDSA-N 2 2 320.408 1.606 10 0 DDAELP C[C@H](C(=O)NCC[NH+](C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000034668473 406964483 /nfs/dbraw/zinc/96/44/83/406964483.db2.gz XBRGIMWEFIVYFE-CQSZACIVSA-N 2 2 322.428 1.014 10 0 DDAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170859212 407531799 /nfs/dbraw/zinc/53/17/99/407531799.db2.gz MSDXLUZHYWOIHN-CYBMUJFWSA-N 2 2 300.406 1.761 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000261580019 407545493 /nfs/dbraw/zinc/54/54/93/407545493.db2.gz PWOWOQIJUXBUGY-HBNTYKKESA-N 2 2 313.243 1.660 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Br ZINC000261580019 407545498 /nfs/dbraw/zinc/54/54/98/407545498.db2.gz PWOWOQIJUXBUGY-HBNTYKKESA-N 2 2 313.243 1.660 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@H]1[NH3+] ZINC000261942972 407682141 /nfs/dbraw/zinc/68/21/41/407682141.db2.gz DYJOCJZUJWHAKO-GOEBONIOSA-N 2 2 317.433 1.467 10 0 DDAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@H]1[NH3+] ZINC000261942972 407682147 /nfs/dbraw/zinc/68/21/47/407682147.db2.gz DYJOCJZUJWHAKO-GOEBONIOSA-N 2 2 317.433 1.467 10 0 DDAELP CCOc1cc(C)nc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262020788 407714716 /nfs/dbraw/zinc/71/47/16/407714716.db2.gz NEVGKYLCHFNCGU-KRWDZBQOSA-N 2 2 319.453 1.305 10 0 DDAELP CCc1nnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1C ZINC000171614821 407721019 /nfs/dbraw/zinc/72/10/19/407721019.db2.gz OAYHLRRWPYXAPQ-ZDUSSCGKSA-N 2 2 302.426 1.974 10 0 DDAELP CCc1nnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)n1C ZINC000171614821 407721024 /nfs/dbraw/zinc/72/10/24/407721024.db2.gz OAYHLRRWPYXAPQ-ZDUSSCGKSA-N 2 2 302.426 1.974 10 0 DDAELP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048442 407723886 /nfs/dbraw/zinc/72/38/86/407723886.db2.gz ZIWQYBNBJRHJGG-GUDVDZBRSA-N 2 2 317.477 1.865 10 0 DDAELP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000262048442 407723888 /nfs/dbraw/zinc/72/38/88/407723888.db2.gz ZIWQYBNBJRHJGG-GUDVDZBRSA-N 2 2 317.477 1.865 10 0 DDAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153700818 407882160 /nfs/dbraw/zinc/88/21/60/407882160.db2.gz LGKZOEFRJQALDP-CJNGLKHVSA-N 2 2 312.373 1.520 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000180621579 407903141 /nfs/dbraw/zinc/90/31/41/407903141.db2.gz DPDWPBQVLJJLKO-HOTGVXAUSA-N 2 2 306.454 1.803 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000263145340 408037981 /nfs/dbraw/zinc/03/79/81/408037981.db2.gz CPPNHDKTHGPMHX-PBHICJAKSA-N 3 2 323.868 1.474 10 0 DDAELP C[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246065372 408132398 /nfs/dbraw/zinc/13/23/98/408132398.db2.gz HKWACBPPYSLBIN-CABCVRRESA-N 2 2 301.438 1.997 10 0 DDAELP C[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246065372 408132405 /nfs/dbraw/zinc/13/24/05/408132405.db2.gz HKWACBPPYSLBIN-CABCVRRESA-N 2 2 301.438 1.997 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](COC)C2CC2)nc[nH+]1 ZINC000246413106 408247392 /nfs/dbraw/zinc/24/73/92/408247392.db2.gz MORSUZDDASOMPB-UONOGXRCSA-N 2 2 305.426 1.502 10 0 DDAELP CCC[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000161733726 408633752 /nfs/dbraw/zinc/63/37/52/408633752.db2.gz LILLDOPSSYPJDD-CQSZACIVSA-N 2 2 309.479 1.953 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000249157467 163631181 /nfs/dbraw/zinc/63/11/81/163631181.db2.gz XMQFGTNUSVZIFF-MGPQQGTHSA-N 2 2 305.426 1.502 10 0 DDAELP C[N@H+]1CCc2ncnc(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2C1 ZINC000329909907 410481655 /nfs/dbraw/zinc/48/16/55/410481655.db2.gz VKCBUPVENRJWJT-CQSZACIVSA-N 2 2 311.389 1.517 10 0 DDAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)n1C ZINC000643644968 423240404 /nfs/dbraw/zinc/24/04/04/423240404.db2.gz ANSAWBGKAFYWAA-SWLSCSKDSA-N 2 2 318.425 1.087 10 0 DDAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246888875 298083699 /nfs/dbraw/zinc/08/36/99/298083699.db2.gz HBTJZQIBASWREW-QXSJWSMHSA-N 2 2 309.454 1.181 10 0 DDAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246888875 298083702 /nfs/dbraw/zinc/08/37/02/298083702.db2.gz HBTJZQIBASWREW-QXSJWSMHSA-N 2 2 309.454 1.181 10 0 DDAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000089455464 484009806 /nfs/dbraw/zinc/00/98/06/484009806.db2.gz UUPCWSPAMFYWCC-ZFWWWQNUSA-N 2 2 307.463 1.767 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000176077410 697400950 /nfs/dbraw/zinc/40/09/50/697400950.db2.gz RFLBZNCVQLGTEL-ZDUSSCGKSA-N 2 2 304.394 1.399 10 0 DDAELP Cc1cn[nH]c1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054753 708689847 /nfs/dbraw/zinc/68/98/47/708689847.db2.gz BEBFQPKPVCQCJH-INIZCTEOSA-N 2 2 315.421 1.828 10 0 DDAELP Cc1cn[nH]c1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054753 708689848 /nfs/dbraw/zinc/68/98/48/708689848.db2.gz BEBFQPKPVCQCJH-INIZCTEOSA-N 2 2 315.421 1.828 10 0 DDAELP Cc1c[nH]nc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054753 708689849 /nfs/dbraw/zinc/68/98/49/708689849.db2.gz BEBFQPKPVCQCJH-INIZCTEOSA-N 2 2 315.421 1.828 10 0 DDAELP Cc1c[nH]nc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886054753 708689850 /nfs/dbraw/zinc/68/98/50/708689850.db2.gz BEBFQPKPVCQCJH-INIZCTEOSA-N 2 2 315.421 1.828 10 0 DDAELP CN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000248652352 282096397 /nfs/dbraw/zinc/09/63/97/282096397.db2.gz NUCUHJKFOPKJEU-JKSUJKDBSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000248652352 282096402 /nfs/dbraw/zinc/09/64/02/282096402.db2.gz NUCUHJKFOPKJEU-JKSUJKDBSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652352 282096404 /nfs/dbraw/zinc/09/64/04/282096404.db2.gz NUCUHJKFOPKJEU-JKSUJKDBSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652352 282096409 /nfs/dbraw/zinc/09/64/09/282096409.db2.gz NUCUHJKFOPKJEU-JKSUJKDBSA-N 2 2 302.422 1.066 10 0 DDAELP C[NH+]1CCC([NH+]2CCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000082348107 185176769 /nfs/dbraw/zinc/17/67/69/185176769.db2.gz AGZRSNRDQUIVHO-UHFFFAOYSA-N 2 2 315.461 1.858 10 0 DDAELP C[C@@](CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)([NH2+]C1CC1)C(N)=O ZINC000088435098 185249895 /nfs/dbraw/zinc/24/98/95/185249895.db2.gz FHXWLGQVZXAUKJ-GWCFXTLKSA-N 2 2 307.360 1.647 10 0 DDAELP C[C@@](CC[N@H+]1CCC[C@H](C(F)(F)F)C1)([NH2+]C1CC1)C(N)=O ZINC000088435098 185249896 /nfs/dbraw/zinc/24/98/96/185249896.db2.gz FHXWLGQVZXAUKJ-GWCFXTLKSA-N 2 2 307.360 1.647 10 0 DDAELP CC[NH+](CC)CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1 ZINC000088539812 185255285 /nfs/dbraw/zinc/25/52/85/185255285.db2.gz XNJYMMJEHVOSNA-UHFFFAOYSA-N 2 2 317.455 1.351 10 0 DDAELP Clc1ccc2nc(C[NH+]3CCN(C4C[NH2+]C4)CC3)cn2c1 ZINC000090307463 185290220 /nfs/dbraw/zinc/29/02/20/185290220.db2.gz UMBBIVVZZYVXIV-UHFFFAOYSA-N 2 2 305.813 1.077 10 0 DDAELP CC[NH2+][C@H](C)c1csc(N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000080831399 192193946 /nfs/dbraw/zinc/19/39/46/192193946.db2.gz KTTXMQMDCNYGOK-OLZOCXBDSA-N 2 2 310.467 1.725 10 0 DDAELP CNC(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Br)c1 ZINC000091315138 193038229 /nfs/dbraw/zinc/03/82/29/193038229.db2.gz ZYYQTCGQNYFEMC-LBPRGKRZSA-N 2 2 314.227 1.344 10 0 DDAELP CNC(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Br)c1 ZINC000091315138 193038231 /nfs/dbraw/zinc/03/82/31/193038231.db2.gz ZYYQTCGQNYFEMC-LBPRGKRZSA-N 2 2 314.227 1.344 10 0 DDAELP C[C@@H](C[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000093696727 193291788 /nfs/dbraw/zinc/29/17/88/193291788.db2.gz HCDZNQBBBLVVKF-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP CCC[NH2+]CCCCS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094445207 193370656 /nfs/dbraw/zinc/37/06/56/193370656.db2.gz UFHYKGQVGXOJDO-OAHLLOKOSA-N 2 2 317.499 1.266 10 0 DDAELP CCC[NH2+]CCCCS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094445207 193370658 /nfs/dbraw/zinc/37/06/58/193370658.db2.gz UFHYKGQVGXOJDO-OAHLLOKOSA-N 2 2 317.499 1.266 10 0 DDAELP C[NH2+][C@H](Cc1nc2ccccc2s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509110 193375948 /nfs/dbraw/zinc/37/59/48/193375948.db2.gz BDDSVSBPWAWIJH-KGLIPLIRSA-N 2 2 302.447 1.427 10 0 DDAELP [NH3+][C@@H](Cc1cccc(Br)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508190 193376226 /nfs/dbraw/zinc/37/62/26/193376226.db2.gz GBGNROHECRVNHT-UONOGXRCSA-N 2 2 310.239 1.319 10 0 DDAELP [NH3+]CCc1cn(CC(=O)Nc2cccc(Br)c2)c[nH+]1 ZINC000094529606 193376852 /nfs/dbraw/zinc/37/68/52/193376852.db2.gz VJSVPGRLYYFZNN-UHFFFAOYSA-N 2 2 323.194 1.786 10 0 DDAELP COC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955301 183322414 /nfs/dbraw/zinc/32/24/14/183322414.db2.gz TUTLTJIRXBYUSE-OLZOCXBDSA-N 2 2 317.227 1.388 10 0 DDAELP COC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955301 183322415 /nfs/dbraw/zinc/32/24/15/183322415.db2.gz TUTLTJIRXBYUSE-OLZOCXBDSA-N 2 2 317.227 1.388 10 0 DDAELP C[N@@H+]1CC[C@H](CNc2[nH+]c3c(cc2C(N)=S)CCCC3)C1 ZINC000043410886 183360224 /nfs/dbraw/zinc/36/02/24/183360224.db2.gz JWOFVRKTXXWJNV-LLVKDONJSA-N 2 2 304.463 1.958 10 0 DDAELP C[N@H+]1CC[C@H](CNc2[nH+]c3c(cc2C(N)=S)CCCC3)C1 ZINC000043410886 183360232 /nfs/dbraw/zinc/36/02/32/183360232.db2.gz JWOFVRKTXXWJNV-LLVKDONJSA-N 2 2 304.463 1.958 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnnn2C(C)C)C1 ZINC000105897855 194162379 /nfs/dbraw/zinc/16/23/79/194162379.db2.gz XKHWXONLUVVKMY-CYBMUJFWSA-N 2 2 303.414 1.850 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000105897855 194162381 /nfs/dbraw/zinc/16/23/81/194162381.db2.gz XKHWXONLUVVKMY-CYBMUJFWSA-N 2 2 303.414 1.850 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCCOC)C1 ZINC000105922608 194170743 /nfs/dbraw/zinc/17/07/43/194170743.db2.gz RDBTXJOUTYKFIN-AWEZNQCLSA-N 2 2 308.426 1.235 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000105922608 194170745 /nfs/dbraw/zinc/17/07/45/194170745.db2.gz RDBTXJOUTYKFIN-AWEZNQCLSA-N 2 2 308.426 1.235 10 0 DDAELP Clc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(-n2cc[nH+]c2)n1 ZINC000061540925 184173428 /nfs/dbraw/zinc/17/34/28/184173428.db2.gz HVSFSKXJXVTXIY-SECBINFHSA-N 2 2 305.773 1.359 10 0 DDAELP Clc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(-n2cc[nH+]c2)n1 ZINC000061540925 184173430 /nfs/dbraw/zinc/17/34/30/184173430.db2.gz HVSFSKXJXVTXIY-SECBINFHSA-N 2 2 305.773 1.359 10 0 DDAELP C[C@H](Cn1cc[nH+]c1)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061539318 184173650 /nfs/dbraw/zinc/17/36/50/184173650.db2.gz ZSWGMCWAXIEHFB-SECBINFHSA-N 2 2 304.745 1.408 10 0 DDAELP Fc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000247518640 257119766 /nfs/dbraw/zinc/11/97/66/257119766.db2.gz KRBZUNYZKHVZOA-FUHWJXTLSA-N 2 2 320.408 1.606 10 0 DDAELP Fc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C[NH+]3CCOCC3)C2)cc1 ZINC000247518640 257119767 /nfs/dbraw/zinc/11/97/67/257119767.db2.gz KRBZUNYZKHVZOA-FUHWJXTLSA-N 2 2 320.408 1.606 10 0 DDAELP C[N@H+](C[C@H]1CCCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863030 407356425 /nfs/dbraw/zinc/35/64/25/407356425.db2.gz FFFBTPIIYJBBNM-QGZVFWFLSA-N 2 2 306.454 1.848 10 0 DDAELP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863030 407356426 /nfs/dbraw/zinc/35/64/26/407356426.db2.gz FFFBTPIIYJBBNM-QGZVFWFLSA-N 2 2 306.454 1.848 10 0 DDAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261976439 407699838 /nfs/dbraw/zinc/69/98/38/407699838.db2.gz ITPSFGNIRRVLOQ-NHYWBVRUSA-N 2 2 308.426 1.231 10 0 DDAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261976439 407699841 /nfs/dbraw/zinc/69/98/41/407699841.db2.gz ITPSFGNIRRVLOQ-NHYWBVRUSA-N 2 2 308.426 1.231 10 0 DDAELP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730546 407909400 /nfs/dbraw/zinc/90/94/00/407909400.db2.gz BMEANIPSGXILJB-QWHCGFSZSA-N 2 2 301.381 1.174 10 0 DDAELP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262730546 407909407 /nfs/dbraw/zinc/90/94/07/407909407.db2.gz BMEANIPSGXILJB-QWHCGFSZSA-N 2 2 301.381 1.174 10 0 DDAELP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263017094 408003899 /nfs/dbraw/zinc/00/38/99/408003899.db2.gz QLVLFIOITCHCNL-LSDHHAIUSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263017094 408003902 /nfs/dbraw/zinc/00/39/02/408003902.db2.gz QLVLFIOITCHCNL-LSDHHAIUSA-N 2 2 323.387 1.764 10 0 DDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000174981961 408019992 /nfs/dbraw/zinc/01/99/92/408019992.db2.gz BIOUPKRZXZYHGE-JKSUJKDBSA-N 2 2 312.417 1.962 10 0 DDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000174981961 408019997 /nfs/dbraw/zinc/01/99/97/408019997.db2.gz BIOUPKRZXZYHGE-JKSUJKDBSA-N 2 2 312.417 1.962 10 0 DDAELP Cc1ccc(-c2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cs2)cc1 ZINC000263271518 408084389 /nfs/dbraw/zinc/08/43/89/408084389.db2.gz SGMMFGBKHWGZDK-UKRRQHHQSA-N 2 2 303.431 1.788 10 0 DDAELP CC1CCC([NH+]2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)CC1 ZINC000263275911 408087282 /nfs/dbraw/zinc/08/72/82/408087282.db2.gz SUNWCTVYKOYIEJ-JXQTWKCFSA-N 2 2 315.408 1.707 10 0 DDAELP C[C@@H]1CCCN(c2cc(N3CCO[C@@H](C[NH+](C)C)C3)nc[nH+]2)C1 ZINC000246310035 408216565 /nfs/dbraw/zinc/21/65/65/408216565.db2.gz YGNODQGVYVNSIL-CABCVRRESA-N 2 2 319.453 1.480 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000246309520 408217282 /nfs/dbraw/zinc/21/72/82/408217282.db2.gz DBNNKNLCQXUOTP-UKRRQHHQSA-N 2 2 315.421 1.862 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000246309520 408217287 /nfs/dbraw/zinc/21/72/87/408217287.db2.gz DBNNKNLCQXUOTP-UKRRQHHQSA-N 2 2 315.421 1.862 10 0 DDAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000246819152 408348377 /nfs/dbraw/zinc/34/83/77/408348377.db2.gz AMNUFFVOWXGUEO-OCCSQVGLSA-N 2 2 317.393 1.980 10 0 DDAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000246819152 408348380 /nfs/dbraw/zinc/34/83/80/408348380.db2.gz AMNUFFVOWXGUEO-OCCSQVGLSA-N 2 2 317.393 1.980 10 0 DDAELP C[NH+](C)C[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000172394961 162273025 /nfs/dbraw/zinc/27/30/25/162273025.db2.gz ZLESPHBLFBOJGN-NSHDSACASA-N 2 2 306.332 1.208 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000247092780 408405487 /nfs/dbraw/zinc/40/54/87/408405487.db2.gz IDZVVEYQKFHCNZ-ZFWWWQNUSA-N 2 2 317.437 1.526 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000247092780 408405492 /nfs/dbraw/zinc/40/54/92/408405492.db2.gz IDZVVEYQKFHCNZ-ZFWWWQNUSA-N 2 2 317.437 1.526 10 0 DDAELP COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177105498 408519045 /nfs/dbraw/zinc/51/90/45/408519045.db2.gz AZZMPCWOCOSVIA-CQSZACIVSA-N 2 2 300.362 1.652 10 0 DDAELP COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177105498 408519049 /nfs/dbraw/zinc/51/90/49/408519049.db2.gz AZZMPCWOCOSVIA-CQSZACIVSA-N 2 2 300.362 1.652 10 0 DDAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1CC ZINC000249048084 408680569 /nfs/dbraw/zinc/68/05/69/408680569.db2.gz NVGMRHWENGSDOH-DLBZAZTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1CC ZINC000249048084 408680574 /nfs/dbraw/zinc/68/05/74/408680574.db2.gz NVGMRHWENGSDOH-DLBZAZTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1CC ZINC000249048084 408680579 /nfs/dbraw/zinc/68/05/79/408680579.db2.gz NVGMRHWENGSDOH-DLBZAZTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H]1CC ZINC000249048084 408680583 /nfs/dbraw/zinc/68/05/83/408680583.db2.gz NVGMRHWENGSDOH-DLBZAZTESA-N 2 2 313.486 1.140 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCC(F)(F)F ZINC000178292679 408799946 /nfs/dbraw/zinc/79/99/46/408799946.db2.gz WFRHHHJOQYXDPT-CMPLNLGQSA-N 2 2 318.343 1.723 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCC(F)(F)F ZINC000178292679 408799949 /nfs/dbraw/zinc/79/99/49/408799949.db2.gz WFRHHHJOQYXDPT-CMPLNLGQSA-N 2 2 318.343 1.723 10 0 DDAELP CC[NH+]1CCN(c2cc(CNc3cc(C)[nH+]cn3)ccn2)CC1 ZINC000301224224 410679453 /nfs/dbraw/zinc/67/94/53/410679453.db2.gz CIUDWKDOBGBWSQ-UHFFFAOYSA-N 2 2 312.421 1.934 10 0 DDAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648813 422533753 /nfs/dbraw/zinc/53/37/53/422533753.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 3 2 317.477 1.507 10 0 DDAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648813 422533757 /nfs/dbraw/zinc/53/37/57/422533757.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648813 422533762 /nfs/dbraw/zinc/53/37/62/422533762.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648813 422533768 /nfs/dbraw/zinc/53/37/68/422533768.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 3 2 317.477 1.507 10 0 DDAELP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000173981992 289310625 /nfs/dbraw/zinc/31/06/25/289310625.db2.gz GKMWVRUCXGKPDK-BRWVUGGUSA-N 2 2 323.481 1.430 10 0 DDAELP C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402702 297148818 /nfs/dbraw/zinc/14/88/18/297148818.db2.gz VYGYGHZKWHMFBE-BFYDXBDKSA-N 2 2 319.449 1.515 10 0 DDAELP [NH3+]CC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000261831051 698439998 /nfs/dbraw/zinc/43/99/98/698439998.db2.gz BJEDPDPBKCDHJC-UHFFFAOYSA-N 2 2 323.462 1.148 10 0 DDAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cocn3)C2)ccn1 ZINC000886068765 708691759 /nfs/dbraw/zinc/69/17/59/708691759.db2.gz PWVNGAQAGYVINU-MRXNPFEDSA-N 2 2 302.378 1.785 10 0 DDAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cocn3)C2)ccn1 ZINC000886068765 708691760 /nfs/dbraw/zinc/69/17/60/708691760.db2.gz PWVNGAQAGYVINU-MRXNPFEDSA-N 2 2 302.378 1.785 10 0 DDAELP NNc1nc(N[C@@H]2C[NH+]3CCC2CC3)c(Br)c[nH+]1 ZINC000087905052 185237362 /nfs/dbraw/zinc/23/73/62/185237362.db2.gz RBSJDWKIUTVDIS-SECBINFHSA-N 2 2 313.203 1.031 10 0 DDAELP C[NH2+]Cc1ccc(S(=O)(=O)N2CC[NH+](C(C)(C)C)CC2)o1 ZINC000088544364 185256748 /nfs/dbraw/zinc/25/67/48/185256748.db2.gz ZCFTXFJQPLPMBI-UHFFFAOYSA-N 2 2 315.439 1.104 10 0 DDAELP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250195 539263246 /nfs/dbraw/zinc/26/32/46/539263246.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250195 539263249 /nfs/dbraw/zinc/26/32/49/539263249.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250195 539263250 /nfs/dbraw/zinc/26/32/50/539263250.db2.gz YTYXNGNWWHIPDR-CHWSQXEVSA-N 2 2 310.467 1.469 10 0 DDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246809674 282221133 /nfs/dbraw/zinc/22/11/33/282221133.db2.gz RUZJMKZMXFTSNA-IRXDYDNUSA-N 2 2 323.481 1.430 10 0 DDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246809674 282221134 /nfs/dbraw/zinc/22/11/34/282221134.db2.gz RUZJMKZMXFTSNA-IRXDYDNUSA-N 2 2 323.481 1.430 10 0 DDAELP CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000080531932 192166087 /nfs/dbraw/zinc/16/60/87/192166087.db2.gz AJDQENFVVUCGPB-ZDUSSCGKSA-N 2 2 308.407 1.640 10 0 DDAELP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000080531941 192166278 /nfs/dbraw/zinc/16/62/78/192166278.db2.gz FAJXSBQBOXUOAW-NSHDSACASA-N 2 2 308.407 1.511 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901531 198005104 /nfs/dbraw/zinc/00/51/04/198005104.db2.gz MSIOSRUJDNVPJK-CQSZACIVSA-N 2 2 303.410 1.373 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901531 198005106 /nfs/dbraw/zinc/00/51/06/198005106.db2.gz MSIOSRUJDNVPJK-CQSZACIVSA-N 2 2 303.410 1.373 10 0 DDAELP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)no1 ZINC000237061847 202139293 /nfs/dbraw/zinc/13/92/93/202139293.db2.gz ZNVALNWKLWAMOX-MNOVXSKESA-N 2 2 309.414 1.000 10 0 DDAELP COc1ccc([C@@H](NC(=O)C[NH+]2CCC([NH3+])CC2)C2CC2)cc1 ZINC000237254337 202207164 /nfs/dbraw/zinc/20/71/64/202207164.db2.gz XTRUFCPUHTVSBU-SFHVURJKSA-N 2 2 317.433 1.686 10 0 DDAELP C[NH2+][C@H](CCCS(C)(=O)=O)C1([NH+]2CCCC2)CCCC1 ZINC000091641024 193082935 /nfs/dbraw/zinc/08/29/35/193082935.db2.gz FBGRBXUOMZHFSQ-CQSZACIVSA-N 2 2 302.484 1.808 10 0 DDAELP C[NH2+][C@@]1(CO)CCC[C@H]([NH+]2CCN(CC(F)(F)F)CC2)C1 ZINC000093781610 193306999 /nfs/dbraw/zinc/30/69/99/193306999.db2.gz GDKZGGHDWLGSES-STQMWFEESA-N 2 2 309.376 1.059 10 0 DDAELP C[N@H+](CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645187 193390039 /nfs/dbraw/zinc/39/00/39/193390039.db2.gz CZBYSICDHQDHNE-ZNMIVQPWSA-N 2 2 302.484 1.806 10 0 DDAELP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645187 193390041 /nfs/dbraw/zinc/39/00/41/193390041.db2.gz CZBYSICDHQDHNE-ZNMIVQPWSA-N 2 2 302.484 1.806 10 0 DDAELP C[C@@H]1SCCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000094478713 193372712 /nfs/dbraw/zinc/37/27/12/193372712.db2.gz QAMPGWZGOYHEBX-GOEBONIOSA-N 2 2 306.479 1.817 10 0 DDAELP [NH3+][C@@H](Cc1ccccc1Br)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508560 193375140 /nfs/dbraw/zinc/37/51/40/193375140.db2.gz LLGFBFUXQALISE-KBPBESRZSA-N 2 2 310.239 1.319 10 0 DDAELP C[NH2+][C@H](Cc1nc2ccccc2s1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509112 193376250 /nfs/dbraw/zinc/37/62/50/193376250.db2.gz BDDSVSBPWAWIJH-ZIAGYGMSSA-N 2 2 302.447 1.427 10 0 DDAELP O=C(NCC1C[NH+](C2CC[NH2+]CC2)C1)OCc1ccccc1 ZINC000039952174 183024075 /nfs/dbraw/zinc/02/40/75/183024075.db2.gz BSVZZRYJWNBFEF-UHFFFAOYSA-N 2 2 303.406 1.597 10 0 DDAELP Cc1ncc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)s1 ZINC000040998465 183155213 /nfs/dbraw/zinc/15/52/13/183155213.db2.gz ACSPXIDXNJAJMP-CQSZACIVSA-N 2 2 308.451 1.284 10 0 DDAELP Cc1ncc(CNC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)s1 ZINC000040998465 183155215 /nfs/dbraw/zinc/15/52/15/183155215.db2.gz ACSPXIDXNJAJMP-CQSZACIVSA-N 2 2 308.451 1.284 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(O)c2)nc[nH+]1 ZINC000105904875 194166717 /nfs/dbraw/zinc/16/67/17/194166717.db2.gz IKMISVQPSPGPTC-CQSZACIVSA-N 2 2 313.405 1.983 10 0 DDAELP CC[C@@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062894644 184258890 /nfs/dbraw/zinc/25/88/90/184258890.db2.gz FEGVKSUGJTWGBH-MRXNPFEDSA-N 2 2 307.463 1.782 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000046278089 407058703 /nfs/dbraw/zinc/05/87/03/407058703.db2.gz SAAAVZWGWVSCKG-AWEZNQCLSA-N 2 2 307.442 1.913 10 0 DDAELP CCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000127458902 407437282 /nfs/dbraw/zinc/43/72/82/407437282.db2.gz CCJKPTUVYWXXKF-KRWDZBQOSA-N 3 2 324.513 1.392 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000263243079 408073743 /nfs/dbraw/zinc/07/37/43/408073743.db2.gz OWOJTHRJZCTBQZ-RISCZKNCSA-N 2 2 307.394 1.619 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1CC ZINC000168073407 162179340 /nfs/dbraw/zinc/17/93/40/162179340.db2.gz VMIHTRYHCVLQMK-DLBZAZTESA-N 2 2 319.449 1.646 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1CC ZINC000168073407 162179343 /nfs/dbraw/zinc/17/93/43/162179343.db2.gz VMIHTRYHCVLQMK-DLBZAZTESA-N 2 2 319.449 1.646 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178327592 408804566 /nfs/dbraw/zinc/80/45/66/408804566.db2.gz BBVJAGQZCPFCCR-CYBMUJFWSA-N 2 2 303.366 1.591 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178327592 408804568 /nfs/dbraw/zinc/80/45/68/408804568.db2.gz BBVJAGQZCPFCCR-CYBMUJFWSA-N 2 2 303.366 1.591 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](COC)C2CC2)nc[nH+]1 ZINC000180565495 277302362 /nfs/dbraw/zinc/30/23/62/277302362.db2.gz MORSUZDDASOMPB-KBPBESRZSA-N 2 2 305.426 1.502 10 0 DDAELP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000237952027 303466138 /nfs/dbraw/zinc/46/61/38/303466138.db2.gz SMYKPKPCYDAVNT-MCIONIFRSA-N 2 2 323.462 1.365 10 0 DDAELP CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000888103052 709214159 /nfs/dbraw/zinc/21/41/59/709214159.db2.gz CLPNQLNFKPJNCP-CABCVRRESA-N 2 2 320.437 1.657 10 0 DDAELP C[C@](CC[NH+]1CCC(C(F)(F)F)CC1)([NH2+]C1CC1)C(N)=O ZINC000088435435 185250388 /nfs/dbraw/zinc/25/03/88/185250388.db2.gz CHMGDNWELNGHHY-CYBMUJFWSA-N 2 2 307.360 1.647 10 0 DDAELP CCc1cc(N2CC[NH+](C(C)(C)C(N)=S)CC2)nc(C)[nH+]1 ZINC000088760030 185264529 /nfs/dbraw/zinc/26/45/29/185264529.db2.gz UMRLUCMFOWSQGQ-UHFFFAOYSA-N 2 2 307.467 1.534 10 0 DDAELP [NH3+][C@@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000090379726 185293778 /nfs/dbraw/zinc/29/37/78/185293778.db2.gz IFNUSTFJQMTMHY-MWLCHTKSSA-N 2 2 306.753 1.438 10 0 DDAELP C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180669979 199194528 /nfs/dbraw/zinc/19/45/28/199194528.db2.gz ZLGAXZXXHWGUAV-LBPRGKRZSA-N 2 2 313.361 1.075 10 0 DDAELP CC[NH2+][C@H](Cc1c(Br)c(CC)nn1C)C[NH+](C)C ZINC000091719759 193097450 /nfs/dbraw/zinc/09/74/50/193097450.db2.gz CSJBDIPEEDACAN-SNVBAGLBSA-N 2 2 317.275 1.827 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](c2noc(-c3csc(C[NH3+])n3)n2)C1 ZINC000093922857 193328458 /nfs/dbraw/zinc/32/84/58/193328458.db2.gz YZKXFHREHJZMFY-JTQLQIEISA-N 2 2 309.395 1.434 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](c2noc(-c3csc(C[NH3+])n3)n2)C1 ZINC000093922857 193328460 /nfs/dbraw/zinc/32/84/60/193328460.db2.gz YZKXFHREHJZMFY-JTQLQIEISA-N 2 2 309.395 1.434 10 0 DDAELP C[NH2+][C@@H](Cc1ccc(Br)cc1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509209 193375385 /nfs/dbraw/zinc/37/53/85/193375385.db2.gz NETRVZUZFWDYKZ-GJZGRUSLSA-N 2 2 324.266 1.579 10 0 DDAELP CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510156 193376005 /nfs/dbraw/zinc/37/60/05/193376005.db2.gz FCSUHPSOFNEJKI-HOTGVXAUSA-N 2 2 311.832 2.000 10 0 DDAELP COc1ccc([C@@H](C)[NH+]2CCN(C(=O)CC[NH3+])CC2)cc1OC ZINC000024867898 182393674 /nfs/dbraw/zinc/39/36/74/182393674.db2.gz XYQBYMGATCZDOV-CYBMUJFWSA-N 2 2 321.421 1.258 10 0 DDAELP CN(c1[nH+]c2c(cc1C(N)=S)CCC2)C1CC[NH+](C)CC1 ZINC000043408333 183360264 /nfs/dbraw/zinc/36/02/64/183360264.db2.gz FSMFCQCWKSIIAK-UHFFFAOYSA-N 2 2 304.463 1.735 10 0 DDAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933483 184196738 /nfs/dbraw/zinc/19/67/38/184196738.db2.gz CTVMWEBIDUMDRM-INIZCTEOSA-N 2 2 300.443 1.810 10 0 DDAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCCOCC1)C(=O)OCC ZINC000061933483 184196739 /nfs/dbraw/zinc/19/67/39/184196739.db2.gz CTVMWEBIDUMDRM-INIZCTEOSA-N 2 2 300.443 1.810 10 0 DDAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)CCOC)C12CCOCC2 ZINC000186310569 286281362 /nfs/dbraw/zinc/28/13/62/286281362.db2.gz KMZAAZDKAMYMQA-HUUCEWRRSA-N 2 2 300.443 1.128 10 0 DDAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)CCOC)C12CCOCC2 ZINC000186310569 286281363 /nfs/dbraw/zinc/28/13/63/286281363.db2.gz KMZAAZDKAMYMQA-HUUCEWRRSA-N 2 2 300.443 1.128 10 0 DDAELP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000261981440 407701042 /nfs/dbraw/zinc/70/10/42/407701042.db2.gz RSPASCIJLBIKCG-ZJIFWQFVSA-N 3 2 304.438 1.507 10 0 DDAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262900044 407963584 /nfs/dbraw/zinc/96/35/84/407963584.db2.gz DLXFOHCXSXQLCF-XQQFMLRXSA-N 2 2 317.424 1.856 10 0 DDAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262900044 407963590 /nfs/dbraw/zinc/96/35/90/407963590.db2.gz DLXFOHCXSXQLCF-XQQFMLRXSA-N 2 2 317.424 1.856 10 0 DDAELP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263312571 408101692 /nfs/dbraw/zinc/10/16/92/408101692.db2.gz YYTBKRPSDXYLMD-CYBMUJFWSA-N 2 2 303.397 1.564 10 0 DDAELP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100284 408256309 /nfs/dbraw/zinc/25/63/09/408256309.db2.gz MZLLQZPXFAASTC-HUUCEWRRSA-N 2 2 307.438 1.991 10 0 DDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000246789408 408338902 /nfs/dbraw/zinc/33/89/02/408338902.db2.gz UKZKTDJPSHXEMT-GJZGRUSLSA-N 2 2 305.426 1.541 10 0 DDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCn1cc[nH+]c1 ZINC000246789408 408338909 /nfs/dbraw/zinc/33/89/09/408338909.db2.gz UKZKTDJPSHXEMT-GJZGRUSLSA-N 2 2 305.426 1.541 10 0 DDAELP COCCc1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000171640365 162231594 /nfs/dbraw/zinc/23/15/94/162231594.db2.gz RCIGPSHPIDQPRI-ZDUSSCGKSA-N 2 2 317.393 1.588 10 0 DDAELP COCCc1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000171640365 162231595 /nfs/dbraw/zinc/23/15/95/162231595.db2.gz RCIGPSHPIDQPRI-ZDUSSCGKSA-N 2 2 317.393 1.588 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616593998 422513795 /nfs/dbraw/zinc/51/37/95/422513795.db2.gz NBBYGBZUIPKRRS-ZDUSSCGKSA-N 2 2 310.398 1.629 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616593998 422513804 /nfs/dbraw/zinc/51/38/04/422513804.db2.gz NBBYGBZUIPKRRS-ZDUSSCGKSA-N 2 2 310.398 1.629 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000262002399 300272164 /nfs/dbraw/zinc/27/21/64/300272164.db2.gz LKEHOUKDGMGQJY-BBRMVZONSA-N 2 2 317.433 1.371 10 0 DDAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000262002399 300272169 /nfs/dbraw/zinc/27/21/69/300272169.db2.gz LKEHOUKDGMGQJY-BBRMVZONSA-N 2 2 317.433 1.371 10 0 DDAELP [NH3+]C1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCC1 ZINC000178773729 697428351 /nfs/dbraw/zinc/42/83/51/697428351.db2.gz NPDDRHTZGWBUPF-MRXNPFEDSA-N 2 2 317.433 1.136 10 0 DDAELP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)COCc3ccccc3)C[C@@]2(C)C1 ZINC000705679902 699242010 /nfs/dbraw/zinc/24/20/10/699242010.db2.gz MYABIELBSLOXGJ-GUDVDZBRSA-N 2 2 318.461 1.838 10 0 DDAELP C[N@@H+]1CCCC[C@@H]1COc1nc(NN)[nH+]cc1Br ZINC000087890429 185234814 /nfs/dbraw/zinc/23/48/14/185234814.db2.gz YKKMACRSMKYJMG-MRVPVSSYSA-N 2 2 316.203 1.388 10 0 DDAELP C[N@H+]1CCCC[C@@H]1COc1nc(NN)[nH+]cc1Br ZINC000087890429 185234815 /nfs/dbraw/zinc/23/48/15/185234815.db2.gz YKKMACRSMKYJMG-MRVPVSSYSA-N 2 2 316.203 1.388 10 0 DDAELP [NH3+][C@@H]1CCC2(C[C@H]1[NH+]1CCC(C(F)(F)F)CC1)OCCO2 ZINC000088419639 185249483 /nfs/dbraw/zinc/24/94/83/185249483.db2.gz OMRPAHFCADWWQU-VXGBXAGGSA-N 2 2 308.344 1.884 10 0 DDAELP Brc1cccc(C[NH+]2CC(N3CC[NH2+]CC3)C2)c1 ZINC000090308397 185290216 /nfs/dbraw/zinc/29/02/16/185290216.db2.gz IBHDGHQVTUVSIU-UHFFFAOYSA-N 2 2 310.239 1.539 10 0 DDAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337692 185291986 /nfs/dbraw/zinc/29/19/86/185291986.db2.gz LKZYXIUDIMXYHR-ZYHUDNBSSA-N 2 2 304.419 1.186 10 0 DDAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337692 185291987 /nfs/dbraw/zinc/29/19/87/185291987.db2.gz LKZYXIUDIMXYHR-ZYHUDNBSSA-N 2 2 304.419 1.186 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000092713923 185335840 /nfs/dbraw/zinc/33/58/40/185335840.db2.gz SVQOJGNERQVQBN-CMPLNLGQSA-N 2 2 307.360 1.647 10 0 DDAELP Cc1cc(NC(=O)N2CCO[C@H](C[N@H+](C)CC3CC3)C2)cc[nH+]1 ZINC000328654763 354560026 /nfs/dbraw/zinc/56/00/26/354560026.db2.gz XUEVRKVDFATANV-MRXNPFEDSA-N 2 2 318.421 1.386 10 0 DDAELP Cc1cc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC3CC3)C2)cc[nH+]1 ZINC000328654763 354560029 /nfs/dbraw/zinc/56/00/29/354560029.db2.gz XUEVRKVDFATANV-MRXNPFEDSA-N 2 2 318.421 1.386 10 0 DDAELP COCc1noc([C@@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624578 354549651 /nfs/dbraw/zinc/54/96/51/354549651.db2.gz CNRIPGLJPPNKBE-VXGBXAGGSA-N 2 2 305.382 1.668 10 0 DDAELP COCc1noc([C@@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000328624578 354549652 /nfs/dbraw/zinc/54/96/52/354549652.db2.gz CNRIPGLJPPNKBE-VXGBXAGGSA-N 2 2 305.382 1.668 10 0 DDAELP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180676979 199194856 /nfs/dbraw/zinc/19/48/56/199194856.db2.gz JNLHGVACAOZHOD-NWDGAFQWSA-N 2 2 315.377 1.367 10 0 DDAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696585 193291646 /nfs/dbraw/zinc/29/16/46/193291646.db2.gz APGDCJBJQHLTRB-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093926007 193328132 /nfs/dbraw/zinc/32/81/32/193328132.db2.gz SSHWXXABVDUFNF-OCCSQVGLSA-N 2 2 314.861 1.844 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093926007 193328133 /nfs/dbraw/zinc/32/81/33/193328133.db2.gz SSHWXXABVDUFNF-OCCSQVGLSA-N 2 2 314.861 1.844 10 0 DDAELP C[NH2+][C@@H](Cc1nc2ccccc2s1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509109 193375258 /nfs/dbraw/zinc/37/52/58/193375258.db2.gz BDDSVSBPWAWIJH-KBPBESRZSA-N 2 2 302.447 1.427 10 0 DDAELP [NH3+][C@@H](Cc1cc(Cl)ccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508320 193375826 /nfs/dbraw/zinc/37/58/26/193375826.db2.gz JMTRVDFPICHMEK-KBPBESRZSA-N 2 2 300.233 1.863 10 0 DDAELP Cc1cccc([C@H](NC(=O)CC[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000041536558 183199907 /nfs/dbraw/zinc/19/99/07/183199907.db2.gz WFAMSWDVKOGFPM-INIZCTEOSA-N 2 2 300.406 1.886 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969505 183391168 /nfs/dbraw/zinc/39/11/68/183391168.db2.gz XCLIQGPSKLZEEN-SOUVJXGZSA-N 2 2 300.443 1.617 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)COC)OCCO2 ZINC000043969505 183391170 /nfs/dbraw/zinc/39/11/70/183391170.db2.gz XCLIQGPSKLZEEN-SOUVJXGZSA-N 2 2 300.443 1.617 10 0 DDAELP C[NH+](C)C[C@@H]1CCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061654792 184181087 /nfs/dbraw/zinc/18/10/87/184181087.db2.gz ZQGSYIFBIKNHSL-JTQLQIEISA-N 2 2 307.789 1.241 10 0 DDAELP CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977882 184264249 /nfs/dbraw/zinc/26/42/49/184264249.db2.gz MNVDVVXOGNCETL-ARFHVFGLSA-N 2 2 309.479 1.933 10 0 DDAELP CC(=O)Nc1ccc(N2CC[NH+](CCC[NH+](C)C)CC2)cc1 ZINC000000001951 406616573 /nfs/dbraw/zinc/61/65/73/406616573.db2.gz DPCSPGOPQYRPCP-UHFFFAOYSA-N 2 2 304.438 1.719 10 0 in-man DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000114455674 407574723 /nfs/dbraw/zinc/57/47/23/407574723.db2.gz SAOZLIABDJAFEK-DLBZAZTESA-N 2 2 323.481 1.619 10 0 DDAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000114455674 407574729 /nfs/dbraw/zinc/57/47/29/407574729.db2.gz SAOZLIABDJAFEK-DLBZAZTESA-N 2 2 323.481 1.619 10 0 DDAELP C[C@H]([NH3+])CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261765518 407608203 /nfs/dbraw/zinc/60/82/03/407608203.db2.gz IGRJTDIRAWVTFC-STQMWFEESA-N 2 2 311.451 1.317 10 0 DDAELP C[C@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1[NH3+] ZINC000262032286 407717383 /nfs/dbraw/zinc/71/73/83/407717383.db2.gz OEDFGWXXVVAAOV-XJKSGUPXSA-N 2 2 300.406 1.778 10 0 DDAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1[NH3+] ZINC000262032286 407717387 /nfs/dbraw/zinc/71/73/87/407717387.db2.gz OEDFGWXXVVAAOV-XJKSGUPXSA-N 2 2 300.406 1.778 10 0 DDAELP Cc1cc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000262138608 407751218 /nfs/dbraw/zinc/75/12/18/407751218.db2.gz PGMYOKXKRROBKV-HNNXBMFYSA-N 2 2 315.421 1.861 10 0 DDAELP [NH3+]CC1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCOCC1 ZINC000262313544 407793787 /nfs/dbraw/zinc/79/37/87/407793787.db2.gz QRJRHEVNWLXDAV-UHFFFAOYSA-N 2 2 322.796 1.359 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262416718 407829587 /nfs/dbraw/zinc/82/95/87/407829587.db2.gz DPMMVVOLKNCSIS-NUEKZKHPSA-N 2 2 323.462 1.106 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000262416718 407829599 /nfs/dbraw/zinc/82/95/99/407829599.db2.gz DPMMVVOLKNCSIS-NUEKZKHPSA-N 2 2 323.462 1.106 10 0 DDAELP COc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262438860 407833393 /nfs/dbraw/zinc/83/33/93/407833393.db2.gz GOHRXHCICNMDTG-OAHLLOKOSA-N 2 2 305.422 1.385 10 0 DDAELP COc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262438860 407833399 /nfs/dbraw/zinc/83/33/99/407833399.db2.gz GOHRXHCICNMDTG-OAHLLOKOSA-N 2 2 305.422 1.385 10 0 DDAELP C[C@H]([NH2+]CCCS(N)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890105 408127918 /nfs/dbraw/zinc/12/79/18/408127918.db2.gz GIPIRCDGUVYGDZ-LBPRGKRZSA-N 2 2 308.407 1.202 10 0 DDAELP CCOCCNC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189910315 408135628 /nfs/dbraw/zinc/13/56/28/408135628.db2.gz KYNMOQIXIOALHD-AWEZNQCLSA-N 2 2 316.405 1.676 10 0 DDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)C[NH+](C)C)c2cccs2)CCO1 ZINC000176587421 408399870 /nfs/dbraw/zinc/39/98/70/408399870.db2.gz UQCWJLGUJHNGQG-OLZOCXBDSA-N 2 2 311.451 1.188 10 0 DDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)C[NH+](C)C)c2cccs2)CCO1 ZINC000176587421 408399877 /nfs/dbraw/zinc/39/98/77/408399877.db2.gz UQCWJLGUJHNGQG-OLZOCXBDSA-N 2 2 311.451 1.188 10 0 DDAELP CN(Cc1c[nH+]cn1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000177055558 408508524 /nfs/dbraw/zinc/50/85/24/408508524.db2.gz QBNUZSITWOCPBE-UHFFFAOYSA-N 2 2 302.426 1.213 10 0 DDAELP Cc1ncc(C[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000192734565 408637838 /nfs/dbraw/zinc/63/78/38/408637838.db2.gz UVOMPXSQUAGYOJ-CQSZACIVSA-N 2 2 324.494 1.290 10 0 DDAELP Cc1ncc(C[NH+]2CCN(CC[N@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000192734565 408637843 /nfs/dbraw/zinc/63/78/43/408637843.db2.gz UVOMPXSQUAGYOJ-CQSZACIVSA-N 2 2 324.494 1.290 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n(C)n1 ZINC000178284319 408799160 /nfs/dbraw/zinc/79/91/60/408799160.db2.gz FXJRGNBCKBRPGB-AWEZNQCLSA-N 2 2 316.409 1.337 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n(C)n1 ZINC000178284319 408799164 /nfs/dbraw/zinc/79/91/64/408799164.db2.gz FXJRGNBCKBRPGB-AWEZNQCLSA-N 2 2 316.409 1.337 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000252734417 408808060 /nfs/dbraw/zinc/80/80/60/408808060.db2.gz MJDVVLKKJXTLGI-ZNMIVQPWSA-N 2 2 319.453 1.296 10 0 DDAELP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)n(C)n1 ZINC000252734417 408808063 /nfs/dbraw/zinc/80/80/63/408808063.db2.gz MJDVVLKKJXTLGI-ZNMIVQPWSA-N 2 2 319.453 1.296 10 0 DDAELP CCC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000190219710 163133426 /nfs/dbraw/zinc/13/34/26/163133426.db2.gz KINIWWQRLLIHRN-QGZVFWFLSA-N 2 2 311.470 1.082 10 0 DDAELP CCC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000190219710 163133429 /nfs/dbraw/zinc/13/34/29/163133429.db2.gz KINIWWQRLLIHRN-QGZVFWFLSA-N 2 2 311.470 1.082 10 0 DDAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCCCC1 ZINC000195515691 163326220 /nfs/dbraw/zinc/32/62/20/163326220.db2.gz ZKCRGXMMCJVALL-OAHLLOKOSA-N 2 2 302.422 1.828 10 0 DDAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCCCC1 ZINC000195515691 163326224 /nfs/dbraw/zinc/32/62/24/163326224.db2.gz ZKCRGXMMCJVALL-OAHLLOKOSA-N 2 2 302.422 1.828 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCC3CC3)C2)[nH+]1 ZINC000195516247 163326303 /nfs/dbraw/zinc/32/63/03/163326303.db2.gz BDZLMBWGLHRHPI-OAHLLOKOSA-N 2 2 302.422 1.650 10 0 DDAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)[nH+]1 ZINC000195516247 163326307 /nfs/dbraw/zinc/32/63/07/163326307.db2.gz BDZLMBWGLHRHPI-OAHLLOKOSA-N 2 2 302.422 1.650 10 0 DDAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000638096792 422659378 /nfs/dbraw/zinc/65/93/78/422659378.db2.gz MINFKGYDSTZCAQ-XJKSGUPXSA-N 2 2 314.389 1.158 10 0 DDAELP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000245858165 279043424 /nfs/dbraw/zinc/04/34/24/279043424.db2.gz PJQYBKYEXGOQFG-JKSUJKDBSA-N 2 2 305.422 1.126 10 0 DDAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1C[NH+](C)CCO1)c1ccccc1 ZINC000245858165 279043425 /nfs/dbraw/zinc/04/34/25/279043425.db2.gz PJQYBKYEXGOQFG-JKSUJKDBSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000245858165 279043426 /nfs/dbraw/zinc/04/34/26/279043426.db2.gz PJQYBKYEXGOQFG-JKSUJKDBSA-N 2 2 305.422 1.126 10 0 DDAELP CC[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000245858165 279043427 /nfs/dbraw/zinc/04/34/27/279043427.db2.gz PJQYBKYEXGOQFG-JKSUJKDBSA-N 2 2 305.422 1.126 10 0 DDAELP C[C@@H]1COC[C@H](C)[N@H+]1CCOCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000114345041 281073362 /nfs/dbraw/zinc/07/33/62/281073362.db2.gz AZFJDAIILPPZJN-YHUYYLMFSA-N 2 2 300.443 1.221 10 0 DDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CCOCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000114345041 281073369 /nfs/dbraw/zinc/07/33/69/281073369.db2.gz AZFJDAIILPPZJN-YHUYYLMFSA-N 2 2 300.443 1.221 10 0 DDAELP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262366997 484269897 /nfs/dbraw/zinc/26/98/97/484269897.db2.gz VUALHQVLLFQQMW-CZUORRHYSA-N 2 2 313.357 1.184 10 0 DDAELP C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000157482726 524556923 /nfs/dbraw/zinc/55/69/23/524556923.db2.gz ORLRUCRRNOVFEL-CVEARBPZSA-N 2 2 323.481 1.620 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930785 698668925 /nfs/dbraw/zinc/66/89/25/698668925.db2.gz YZZFVXXJCRDPCO-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930785 698668926 /nfs/dbraw/zinc/66/89/26/698668926.db2.gz YZZFVXXJCRDPCO-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930785 698668928 /nfs/dbraw/zinc/66/89/28/698668928.db2.gz YZZFVXXJCRDPCO-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000309930785 698668929 /nfs/dbraw/zinc/66/89/29/698668929.db2.gz YZZFVXXJCRDPCO-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1C ZINC000702764131 699232482 /nfs/dbraw/zinc/23/24/82/699232482.db2.gz PDZNSEPYIQLYRI-OCCSQVGLSA-N 2 2 324.425 1.046 10 0 DDAELP C[C@H](c1ccc(F)cc1Cl)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000078903001 185126360 /nfs/dbraw/zinc/12/63/60/185126360.db2.gz XASCFNJUPYOIIP-LLVKDONJSA-N 2 2 313.804 1.904 10 0 DDAELP C[C@H](c1ccc(F)cc1Cl)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000078903001 185126361 /nfs/dbraw/zinc/12/63/61/185126361.db2.gz XASCFNJUPYOIIP-LLVKDONJSA-N 2 2 313.804 1.904 10 0 DDAELP CC[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000087532923 185227630 /nfs/dbraw/zinc/22/76/30/185227630.db2.gz RZYYDTAPTPXVKU-CHWSQXEVSA-N 2 2 311.451 1.223 10 0 DDAELP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2Br)C1 ZINC000158935238 539217784 /nfs/dbraw/zinc/21/77/84/539217784.db2.gz UEHVOVSMVIHHKG-SNVBAGLBSA-N 2 2 300.200 1.977 10 0 DDAELP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2Br)C1 ZINC000158935238 539217785 /nfs/dbraw/zinc/21/77/85/539217785.db2.gz UEHVOVSMVIHHKG-SNVBAGLBSA-N 2 2 300.200 1.977 10 0 DDAELP Cc1nnc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1C1CC1 ZINC000328641574 354557132 /nfs/dbraw/zinc/55/71/32/354557132.db2.gz QPOIRRDRAOQBFJ-CYBMUJFWSA-N 2 2 300.410 1.812 10 0 DDAELP Cc1nnc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1C1CC1 ZINC000328641574 354557137 /nfs/dbraw/zinc/55/71/37/354557137.db2.gz QPOIRRDRAOQBFJ-CYBMUJFWSA-N 2 2 300.410 1.812 10 0 DDAELP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269657 192019226 /nfs/dbraw/zinc/01/92/26/192019226.db2.gz RBWVKPGKCFNPSP-YPMHNXCESA-N 2 2 308.451 1.537 10 0 DDAELP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269657 192019227 /nfs/dbraw/zinc/01/92/27/192019227.db2.gz RBWVKPGKCFNPSP-YPMHNXCESA-N 2 2 308.451 1.537 10 0 DDAELP CSC1(C[NH3+])CC[NH+](C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000091474584 193061100 /nfs/dbraw/zinc/06/11/00/193061100.db2.gz MCCZHDHIFYMXHA-AWEZNQCLSA-N 3 2 301.500 1.252 10 0 DDAELP CSC1(C[NH3+])CC[NH+](C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000091474584 193061102 /nfs/dbraw/zinc/06/11/02/193061102.db2.gz MCCZHDHIFYMXHA-AWEZNQCLSA-N 3 2 301.500 1.252 10 0 DDAELP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091669982 193087696 /nfs/dbraw/zinc/08/76/96/193087696.db2.gz GGYCHVVENRDMGL-BZUAXINKSA-N 2 2 310.825 1.826 10 0 DDAELP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000091669982 193087698 /nfs/dbraw/zinc/08/76/98/193087698.db2.gz GGYCHVVENRDMGL-BZUAXINKSA-N 2 2 310.825 1.826 10 0 DDAELP NC(=O)C[N@H+](C[C@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267663 193182786 /nfs/dbraw/zinc/18/27/86/193182786.db2.gz WCAJTPFGQOBRLB-CQSZACIVSA-N 2 2 305.447 1.243 10 0 DDAELP NC(=O)C[N@@H+](C[C@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267663 193182787 /nfs/dbraw/zinc/18/27/87/193182787.db2.gz WCAJTPFGQOBRLB-CQSZACIVSA-N 2 2 305.447 1.243 10 0 DDAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697653 193292666 /nfs/dbraw/zinc/29/26/66/193292666.db2.gz WPQKMDLITFQVDR-GJZGRUSLSA-N 2 2 317.499 1.120 10 0 DDAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697653 193292668 /nfs/dbraw/zinc/29/26/68/193292668.db2.gz WPQKMDLITFQVDR-GJZGRUSLSA-N 2 2 317.499 1.120 10 0 DDAELP C[N@H+](CCS(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000094297588 193356823 /nfs/dbraw/zinc/35/68/23/193356823.db2.gz WACBPWOZJILKHG-HZSPNIEDSA-N 2 2 304.500 1.753 10 0 DDAELP C[N@@H+](CCS(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000094297588 193356825 /nfs/dbraw/zinc/35/68/25/193356825.db2.gz WACBPWOZJILKHG-HZSPNIEDSA-N 2 2 304.500 1.753 10 0 DDAELP Cc1nn(C)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1Cl ZINC000094072351 193343323 /nfs/dbraw/zinc/34/33/23/193343323.db2.gz OGNPEQLBOMFUNJ-UHFFFAOYSA-N 2 2 300.834 1.712 10 0 DDAELP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000044514080 183416755 /nfs/dbraw/zinc/41/67/55/183416755.db2.gz ATKKDARWHIZDSB-UHFFFAOYSA-N 2 2 301.312 1.713 10 0 DDAELP CC[C@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CC[N@@H+]1C ZINC000110763485 194356702 /nfs/dbraw/zinc/35/67/02/194356702.db2.gz IZTMCHSILAWMPX-OCCSQVGLSA-N 2 2 311.451 1.421 10 0 DDAELP CC[C@H]1CN(S(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)CC[N@H+]1C ZINC000110763485 194356704 /nfs/dbraw/zinc/35/67/04/194356704.db2.gz IZTMCHSILAWMPX-OCCSQVGLSA-N 2 2 311.451 1.421 10 0 DDAELP CC[NH2+][C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145534 194395682 /nfs/dbraw/zinc/39/56/82/194395682.db2.gz XPGVYWTXNDRCOR-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP CC[NH2+][C@@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145534 194395685 /nfs/dbraw/zinc/39/56/85/194395685.db2.gz XPGVYWTXNDRCOR-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CCC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261929399 407674860 /nfs/dbraw/zinc/67/48/60/407674860.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CCC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261929399 407674868 /nfs/dbraw/zinc/67/48/68/407674868.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CCC[NH2+]C3)CCC[N@@H+]2C)cn1 ZINC000261929399 407674876 /nfs/dbraw/zinc/67/48/76/407674876.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CCC[NH2+]C3)CCC[N@H+]2C)cn1 ZINC000261929399 407674879 /nfs/dbraw/zinc/67/48/79/407674879.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 3 2 319.497 1.734 10 0 DDAELP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2s1 ZINC000262013290 407710148 /nfs/dbraw/zinc/71/01/48/407710148.db2.gz VVGVLAQKYMTILM-BFHYXJOUSA-N 2 2 306.435 1.643 10 0 DDAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(C3CC3)n2)CC1 ZINC000171589197 407712091 /nfs/dbraw/zinc/71/20/91/407712091.db2.gz VLUWJSAKYFKCBC-LBPRGKRZSA-N 2 2 308.426 1.472 10 0 DDAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(C3CC3)n2)CC1 ZINC000171589197 407712096 /nfs/dbraw/zinc/71/20/96/407712096.db2.gz VLUWJSAKYFKCBC-LBPRGKRZSA-N 2 2 308.426 1.472 10 0 DDAELP C[C@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC[NH2+]1 ZINC000262119384 407745676 /nfs/dbraw/zinc/74/56/76/407745676.db2.gz KNVPWINZOXDXMW-QGZVFWFLSA-N 2 2 302.422 1.258 10 0 DDAELP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262304648 407789881 /nfs/dbraw/zinc/78/98/81/407789881.db2.gz CCLRFGTWPCGKBJ-ZFWWWQNUSA-N 2 2 314.389 1.428 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262404236 407826102 /nfs/dbraw/zinc/82/61/02/407826102.db2.gz COTKYVRCMQUXEF-MJBXVCDLSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262404236 407826104 /nfs/dbraw/zinc/82/61/04/407826104.db2.gz COTKYVRCMQUXEF-MJBXVCDLSA-N 2 2 303.406 1.693 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262416715 407828726 /nfs/dbraw/zinc/82/87/26/407828726.db2.gz DPMMVVOLKNCSIS-BPUTZDHNSA-N 2 2 323.462 1.106 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000262416715 407828737 /nfs/dbraw/zinc/82/87/37/407828737.db2.gz DPMMVVOLKNCSIS-BPUTZDHNSA-N 2 2 323.462 1.106 10 0 DDAELP C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189913733 408134854 /nfs/dbraw/zinc/13/48/54/408134854.db2.gz JYDCWTJVGVJOHH-GFCCVEGCSA-N 2 2 315.377 1.498 10 0 DDAELP Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000183091772 408324204 /nfs/dbraw/zinc/32/42/04/408324204.db2.gz LLVCVDSDEIJZQF-CQSZACIVSA-N 2 2 323.437 1.466 10 0 DDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900881 162246133 /nfs/dbraw/zinc/24/61/33/162246133.db2.gz YPXGIVBUHYSHNW-AWEZNQCLSA-N 2 2 303.410 1.137 10 0 DDAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171900881 162246136 /nfs/dbraw/zinc/24/61/36/162246136.db2.gz YPXGIVBUHYSHNW-AWEZNQCLSA-N 2 2 303.410 1.137 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173501099 162342710 /nfs/dbraw/zinc/34/27/10/162342710.db2.gz XOUWNKIFSMAVFV-CQSZACIVSA-N 2 2 305.426 1.529 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173501099 162342712 /nfs/dbraw/zinc/34/27/12/162342712.db2.gz XOUWNKIFSMAVFV-CQSZACIVSA-N 2 2 305.426 1.529 10 0 DDAELP CCOC(=O)[C@H](CC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173683099 162358533 /nfs/dbraw/zinc/35/85/33/162358533.db2.gz MTHIQSAMXCHWPO-INIZCTEOSA-N 2 2 322.453 1.621 10 0 DDAELP CCOC(=O)[C@H](CC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173683099 162358536 /nfs/dbraw/zinc/35/85/36/162358536.db2.gz MTHIQSAMXCHWPO-INIZCTEOSA-N 2 2 322.453 1.621 10 0 DDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000176975872 408488831 /nfs/dbraw/zinc/48/88/31/408488831.db2.gz GDHNYDKVMNLJGO-OAHLLOKOSA-N 2 2 313.405 1.824 10 0 DDAELP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177342310 408584512 /nfs/dbraw/zinc/58/45/12/408584512.db2.gz MBJQMJJIABHQSR-OAHLLOKOSA-N 2 2 307.442 1.789 10 0 DDAELP CC[NH+](CC)CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275648896 408633118 /nfs/dbraw/zinc/63/31/18/408633118.db2.gz OEILWHYVZFBKNJ-AWEZNQCLSA-N 2 2 320.437 1.469 10 0 DDAELP CC(C)n1nnnc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516040 163326237 /nfs/dbraw/zinc/32/62/37/163326237.db2.gz YQBHHCQLRMYWLU-CYBMUJFWSA-N 2 2 301.398 1.583 10 0 DDAELP CC(C)n1nnnc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516040 163326239 /nfs/dbraw/zinc/32/62/39/163326239.db2.gz YQBHHCQLRMYWLU-CYBMUJFWSA-N 2 2 301.398 1.583 10 0 DDAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195318405 222197805 /nfs/dbraw/zinc/19/78/05/222197805.db2.gz DGDCLGFLVFCPGK-AWEZNQCLSA-N 2 2 312.417 1.905 10 0 DDAELP COC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649275507 423713088 /nfs/dbraw/zinc/71/30/88/423713088.db2.gz FKFGVIIAQLGBKE-SFHVURJKSA-N 2 2 317.433 1.099 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698375 424479167 /nfs/dbraw/zinc/47/91/67/424479167.db2.gz WSNMVUCFSWDNBW-PVAVHDDUSA-N 2 2 301.434 1.575 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000657698375 424479175 /nfs/dbraw/zinc/47/91/75/424479175.db2.gz WSNMVUCFSWDNBW-PVAVHDDUSA-N 2 2 301.434 1.575 10 0 DDAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000262014597 289059942 /nfs/dbraw/zinc/05/99/42/289059942.db2.gz VVIULVNFSFEXFZ-GVDBMIGSSA-N 3 2 309.498 1.998 10 0 DDAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nnc2ccc(Br)cn21 ZINC000087847040 185233369 /nfs/dbraw/zinc/23/33/69/185233369.db2.gz SGXCZTDEXSBNHI-VIFPVBQESA-N 2 2 307.155 1.457 10 0 DDAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nnc2ccc(Br)cn21 ZINC000087847040 185233370 /nfs/dbraw/zinc/23/33/70/185233370.db2.gz SGXCZTDEXSBNHI-VIFPVBQESA-N 2 2 307.155 1.457 10 0 DDAELP CC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000088540395 185255697 /nfs/dbraw/zinc/25/56/97/185255697.db2.gz KMXDXKRKTDGMKB-UHFFFAOYSA-N 2 2 315.439 1.104 10 0 DDAELP C[C@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000088855816 185267124 /nfs/dbraw/zinc/26/71/24/185267124.db2.gz KILKVAZWCUNJER-GXTWGEPZSA-N 2 2 303.387 1.834 10 0 DDAELP Brc1ccccc1C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308071 185290259 /nfs/dbraw/zinc/29/02/59/185290259.db2.gz WQMPVPBLEXJGRG-UHFFFAOYSA-N 2 2 310.239 1.539 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000092713940 185335923 /nfs/dbraw/zinc/33/59/23/185335923.db2.gz SCLBUEHYLZZQBH-VXGBXAGGSA-N 2 2 307.360 1.647 10 0 DDAELP C=Cn1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000194297589 186278968 /nfs/dbraw/zinc/27/89/68/186278968.db2.gz VDOSBSJDBRIQOC-CQSZACIVSA-N 2 2 313.409 1.574 10 0 DDAELP CN1CCN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328621190 354548767 /nfs/dbraw/zinc/54/87/67/354548767.db2.gz HNPNODVVBAXPRY-CQSZACIVSA-N 2 2 310.361 1.186 10 0 DDAELP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269654 192019615 /nfs/dbraw/zinc/01/96/15/192019615.db2.gz RBWVKPGKCFNPSP-AAEUAGOBSA-N 2 2 308.451 1.537 10 0 DDAELP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)c1nccs1 ZINC000080269654 192019617 /nfs/dbraw/zinc/01/96/17/192019617.db2.gz RBWVKPGKCFNPSP-AAEUAGOBSA-N 2 2 308.451 1.537 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195286795 201373815 /nfs/dbraw/zinc/37/38/15/201373815.db2.gz PFDPOEJMXHPPJH-HNNXBMFYSA-N 2 2 302.422 1.114 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000195286795 201373817 /nfs/dbraw/zinc/37/38/17/201373817.db2.gz PFDPOEJMXHPPJH-HNNXBMFYSA-N 2 2 302.422 1.114 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000195286795 201373819 /nfs/dbraw/zinc/37/38/19/201373819.db2.gz PFDPOEJMXHPPJH-HNNXBMFYSA-N 2 2 302.422 1.114 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000195286795 201373821 /nfs/dbraw/zinc/37/38/21/201373821.db2.gz PFDPOEJMXHPPJH-HNNXBMFYSA-N 2 2 302.422 1.114 10 0 DDAELP CC[N@H+](Cc1csc(CC(=O)N(C)C)n1)CC(C)(C)C[NH3+] ZINC000093891260 193324227 /nfs/dbraw/zinc/32/42/27/193324227.db2.gz DFQLNCAKAXEBQT-UHFFFAOYSA-N 2 2 312.483 1.581 10 0 DDAELP CC[N@@H+](Cc1csc(CC(=O)N(C)C)n1)CC(C)(C)C[NH3+] ZINC000093891260 193324228 /nfs/dbraw/zinc/32/42/28/193324228.db2.gz DFQLNCAKAXEBQT-UHFFFAOYSA-N 2 2 312.483 1.581 10 0 DDAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H]1C[N@H+](C)CCN1C ZINC000093894537 193325029 /nfs/dbraw/zinc/32/50/29/193325029.db2.gz JKJIRLKZYONJQV-LSDHHAIUSA-N 2 2 311.857 1.725 10 0 DDAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)[C@H]1C[N@@H+](C)CCN1C ZINC000093894537 193325031 /nfs/dbraw/zinc/32/50/31/193325031.db2.gz JKJIRLKZYONJQV-LSDHHAIUSA-N 2 2 311.857 1.725 10 0 DDAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509266 193375724 /nfs/dbraw/zinc/37/57/24/193375724.db2.gz QIBRTDNAJKAMLQ-CABCVRRESA-N 2 2 309.841 1.479 10 0 DDAELP CCC[C@@H](C(N)=S)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000109470036 194267218 /nfs/dbraw/zinc/26/72/18/194267218.db2.gz UKCJSQOXNSKWAZ-AWEZNQCLSA-N 2 2 309.483 1.346 10 0 DDAELP C[C@H](C[NH+]1CCCC1)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061539156 184173089 /nfs/dbraw/zinc/17/30/89/184173089.db2.gz NRYSUHPCYUBMIA-SNVBAGLBSA-N 2 2 307.789 1.607 10 0 DDAELP NC(=[NH2+])c1cccc(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000061941510 184197391 /nfs/dbraw/zinc/19/73/91/184197391.db2.gz YLWRXVFQTVPSCE-UHFFFAOYSA-N 2 2 300.328 1.651 10 0 DDAELP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCN(S(C)(=O)=O)CC2)C1 ZINC000062082106 184204932 /nfs/dbraw/zinc/20/49/32/184204932.db2.gz CIWZWOIRUPLZNQ-RBSFLKMASA-N 2 2 317.499 1.107 10 0 DDAELP CC(C)COc1cccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000066143018 184393272 /nfs/dbraw/zinc/39/32/72/184393272.db2.gz MUYHZRHTIQKBIT-UHFFFAOYSA-N 2 2 319.449 1.828 10 0 DDAELP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290431 407448656 /nfs/dbraw/zinc/44/86/56/407448656.db2.gz JTJXFVRYONHKAA-NVXWUHKLSA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290431 407448666 /nfs/dbraw/zinc/44/86/66/407448666.db2.gz JTJXFVRYONHKAA-NVXWUHKLSA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195290431 407448670 /nfs/dbraw/zinc/44/86/70/407448670.db2.gz JTJXFVRYONHKAA-NVXWUHKLSA-N 2 2 318.465 1.750 10 0 DDAELP CCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195290431 407448678 /nfs/dbraw/zinc/44/86/78/407448678.db2.gz JTJXFVRYONHKAA-NVXWUHKLSA-N 2 2 318.465 1.750 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000113594773 407518470 /nfs/dbraw/zinc/51/84/70/407518470.db2.gz SIXPZAPZCWHNDU-LSDHHAIUSA-N 2 2 317.437 1.762 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000113594773 407518475 /nfs/dbraw/zinc/51/84/75/407518475.db2.gz SIXPZAPZCWHNDU-LSDHHAIUSA-N 2 2 317.437 1.762 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000262133120 407748146 /nfs/dbraw/zinc/74/81/46/407748146.db2.gz YIYMFESRVVUFNE-QAPCUYQASA-N 3 2 316.493 1.996 10 0 DDAELP CCOCC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000180478005 407893078 /nfs/dbraw/zinc/89/30/78/407893078.db2.gz LDLWZLXDNLJAOF-IRXDYDNUSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1CC ZINC000180478005 407893082 /nfs/dbraw/zinc/89/30/82/407893082.db2.gz LDLWZLXDNLJAOF-IRXDYDNUSA-N 2 2 313.486 1.140 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000263145346 408038421 /nfs/dbraw/zinc/03/84/21/408038421.db2.gz CPPNHDKTHGPMHX-WMLDXEAASA-N 3 2 323.868 1.474 10 0 DDAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)c1 ZINC000263022811 408004526 /nfs/dbraw/zinc/00/45/26/408004526.db2.gz QZXGFEFWOIMALU-OAHLLOKOSA-N 2 2 323.387 1.636 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000263212678 408058457 /nfs/dbraw/zinc/05/84/57/408058457.db2.gz KLOQQYQVALAFLR-BXKDBHETSA-N 2 2 303.175 1.258 10 0 DDAELP Cc1[nH+]c2ccccc2n1Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263243035 408072581 /nfs/dbraw/zinc/07/25/81/408072581.db2.gz OVVCMQXIPSENPP-AWEZNQCLSA-N 2 2 312.377 1.352 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247215133 408429162 /nfs/dbraw/zinc/42/91/62/408429162.db2.gz UXTVBAXNFDSYRR-RDJZCZTQSA-N 2 2 319.449 1.468 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000247215133 408429168 /nfs/dbraw/zinc/42/91/68/408429168.db2.gz UXTVBAXNFDSYRR-RDJZCZTQSA-N 2 2 319.449 1.468 10 0 DDAELP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262320572 278157436 /nfs/dbraw/zinc/15/74/36/278157436.db2.gz FCUOQNGVOFVKKX-ZDUSSCGKSA-N 2 2 303.406 1.313 10 0 DDAELP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261879941 698443133 /nfs/dbraw/zinc/44/31/33/698443133.db2.gz FGKSFPHSEMZPJN-BZSNNMDCSA-N 3 2 307.482 1.608 10 0 DDAELP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C)c1cccs1 ZINC000090338055 185291754 /nfs/dbraw/zinc/29/17/54/185291754.db2.gz IBAPYMNGZYURRC-AVGNSLFASA-N 2 2 307.463 1.855 10 0 DDAELP C[C@H](NC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C)c1cccs1 ZINC000090338055 185291755 /nfs/dbraw/zinc/29/17/55/185291755.db2.gz IBAPYMNGZYURRC-AVGNSLFASA-N 2 2 307.463 1.855 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000092713764 185336011 /nfs/dbraw/zinc/33/60/11/185336011.db2.gz YZGXFIPPUUXAGC-AWEZNQCLSA-N 2 2 305.447 1.763 10 0 DDAELP CO[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000034559591 352292813 /nfs/dbraw/zinc/29/28/13/352292813.db2.gz NLAMYTBKTOBVAH-OAHLLOKOSA-N 2 2 307.438 1.570 10 0 DDAELP Cc1nc(N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)cc[nH+]1 ZINC000172756498 198146440 /nfs/dbraw/zinc/14/64/40/198146440.db2.gz RRUYZBNEEFXLBQ-AWEZNQCLSA-N 2 2 308.426 1.083 10 0 DDAELP COc1c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)nn1C ZINC000180128686 199119903 /nfs/dbraw/zinc/11/99/03/199119903.db2.gz QASIJOSXWCSHEC-AWEZNQCLSA-N 2 2 303.410 1.907 10 0 DDAELP COc1c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)nn1C ZINC000180128686 199119904 /nfs/dbraw/zinc/11/99/04/199119904.db2.gz QASIJOSXWCSHEC-AWEZNQCLSA-N 2 2 303.410 1.907 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1CC ZINC000188188766 200206386 /nfs/dbraw/zinc/20/63/86/200206386.db2.gz HDUQOZMKMHUMJL-AWEZNQCLSA-N 2 2 309.410 1.311 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1CC ZINC000188188766 200206388 /nfs/dbraw/zinc/20/63/88/200206388.db2.gz HDUQOZMKMHUMJL-AWEZNQCLSA-N 2 2 309.410 1.311 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@@H]1C[N@H+](C)CCN1C ZINC000093894751 193325542 /nfs/dbraw/zinc/32/55/42/193325542.db2.gz WDJWBTVTSRNJKZ-JSGCOSHPSA-N 2 2 313.877 1.241 10 0 DDAELP CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)[C@@H]1C[N@@H+](C)CCN1C ZINC000093894751 193325543 /nfs/dbraw/zinc/32/55/43/193325543.db2.gz WDJWBTVTSRNJKZ-JSGCOSHPSA-N 2 2 313.877 1.241 10 0 DDAELP CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[NH+](CCO)CC1 ZINC000043252742 183347353 /nfs/dbraw/zinc/34/73/53/183347353.db2.gz QWQORGXUZAJWAA-BXUZGUMPSA-N 2 2 317.886 1.790 10 0 DDAELP CC[NH2+][C@](C)(CCCC[N@@H+]1CCCOCC1)C(=O)OCC ZINC000061933706 184196926 /nfs/dbraw/zinc/19/69/26/184196926.db2.gz DSSWLSSBUGVJEQ-MRXNPFEDSA-N 2 2 300.443 1.810 10 0 DDAELP CC[NH2+][C@](C)(CCCC[N@H+]1CCCOCC1)C(=O)OCC ZINC000061933706 184196928 /nfs/dbraw/zinc/19/69/28/184196928.db2.gz DSSWLSSBUGVJEQ-MRXNPFEDSA-N 2 2 300.443 1.810 10 0 DDAELP CN(Cc1[nH+]ccn1C)c1ncc(Br)cc1C[NH3+] ZINC000062324732 184230655 /nfs/dbraw/zinc/23/06/55/184230655.db2.gz XFTZZLSPZKRYBO-UHFFFAOYSA-N 2 2 310.199 1.673 10 0 DDAELP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccccc3F)C[C@H]2C1 ZINC000247887461 257114789 /nfs/dbraw/zinc/11/47/89/257114789.db2.gz RZIWOBNTOHIAOJ-WBVHZDCISA-N 2 2 308.397 1.605 10 0 DDAELP COCC[N@H+]1CCO[C@H]2C[NH+](Cc3ccccc3F)C[C@H]2C1 ZINC000247887461 257114790 /nfs/dbraw/zinc/11/47/90/257114790.db2.gz RZIWOBNTOHIAOJ-WBVHZDCISA-N 2 2 308.397 1.605 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000247887461 257114791 /nfs/dbraw/zinc/11/47/91/257114791.db2.gz RZIWOBNTOHIAOJ-WBVHZDCISA-N 2 2 308.397 1.605 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000247887461 257114792 /nfs/dbraw/zinc/11/47/92/257114792.db2.gz RZIWOBNTOHIAOJ-WBVHZDCISA-N 2 2 308.397 1.605 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnnn2C(C)C)C1 ZINC000105897858 407357841 /nfs/dbraw/zinc/35/78/41/407357841.db2.gz XKHWXONLUVVKMY-ZDUSSCGKSA-N 2 2 303.414 1.850 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC000105897858 407357842 /nfs/dbraw/zinc/35/78/42/407357842.db2.gz XKHWXONLUVVKMY-ZDUSSCGKSA-N 2 2 303.414 1.850 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261616112 407553638 /nfs/dbraw/zinc/55/36/38/407553638.db2.gz FTLRDHDJHMTYMN-FPMFFAJLSA-N 2 2 308.451 1.685 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261616112 407553645 /nfs/dbraw/zinc/55/36/45/407553645.db2.gz FTLRDHDJHMTYMN-FPMFFAJLSA-N 2 2 308.451 1.685 10 0 DDAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000261683638 407577495 /nfs/dbraw/zinc/57/74/95/407577495.db2.gz AKBXLTCKQMYDRJ-WMZOPIPTSA-N 3 2 316.493 1.998 10 0 DDAELP Cc1ccccc1C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262119780 407745349 /nfs/dbraw/zinc/74/53/49/407745349.db2.gz BYVSYBLTMZLWLH-UHFFFAOYSA-N 2 2 301.394 1.155 10 0 DDAELP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000262269906 407780296 /nfs/dbraw/zinc/78/02/96/407780296.db2.gz SHEXEDLOTZHEDZ-CYBMUJFWSA-N 2 2 302.378 1.744 10 0 DDAELP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000262269906 407780299 /nfs/dbraw/zinc/78/02/99/407780299.db2.gz SHEXEDLOTZHEDZ-CYBMUJFWSA-N 2 2 302.378 1.744 10 0 DDAELP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263158302 408043170 /nfs/dbraw/zinc/04/31/70/408043170.db2.gz DPTOXXXJOBJKTD-AWEZNQCLSA-N 2 2 324.375 1.159 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000263212681 408058366 /nfs/dbraw/zinc/05/83/66/408058366.db2.gz KLOQQYQVALAFLR-SKDRFNHKSA-N 2 2 303.175 1.258 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263227155 408065999 /nfs/dbraw/zinc/06/59/99/408065999.db2.gz MYVCAQSAOXNVID-NEPJUHHUSA-N 2 2 312.364 1.606 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@@H+]1C[C@H](C)O ZINC000245786803 408066883 /nfs/dbraw/zinc/06/68/83/408066883.db2.gz VJDRNJUXYFCMQR-JKSUJKDBSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)CC[N@H+]1C[C@H](C)O ZINC000245786803 408066892 /nfs/dbraw/zinc/06/68/92/408066892.db2.gz VJDRNJUXYFCMQR-JKSUJKDBSA-N 2 2 316.449 1.920 10 0 DDAELP COc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263236982 408069472 /nfs/dbraw/zinc/06/94/72/408069472.db2.gz OEPNHWGADUSVRS-CMPLNLGQSA-N 2 2 315.211 1.128 10 0 DDAELP CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000263466706 408147060 /nfs/dbraw/zinc/14/70/60/408147060.db2.gz CUAYRHPIGXHECU-UHFFFAOYSA-N 2 2 302.378 1.361 10 0 DDAELP CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000263466706 408147068 /nfs/dbraw/zinc/14/70/68/408147068.db2.gz CUAYRHPIGXHECU-UHFFFAOYSA-N 2 2 302.378 1.361 10 0 DDAELP CCc1noc([C@H](C)N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000183175714 408344834 /nfs/dbraw/zinc/34/48/34/408344834.db2.gz HDGMZUKZDJINIH-AWEZNQCLSA-N 2 2 318.425 1.597 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000161735744 408633687 /nfs/dbraw/zinc/63/36/87/408633687.db2.gz VVCDJTIRRHPLRW-HUUCEWRRSA-N 2 2 320.437 1.015 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000161735744 408633689 /nfs/dbraw/zinc/63/36/89/408633689.db2.gz VVCDJTIRRHPLRW-HUUCEWRRSA-N 2 2 320.437 1.015 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177787923 408713379 /nfs/dbraw/zinc/71/33/79/408713379.db2.gz ZKNZIFKBRARGEU-UKRRQHHQSA-N 2 2 313.405 1.712 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177787923 408713386 /nfs/dbraw/zinc/71/33/86/408713386.db2.gz ZKNZIFKBRARGEU-UKRRQHHQSA-N 2 2 313.405 1.712 10 0 DDAELP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515888 163327164 /nfs/dbraw/zinc/32/71/64/163327164.db2.gz MHBMTWZYIPSZBH-HUUCEWRRSA-N 2 2 320.437 1.357 10 0 DDAELP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515888 163327165 /nfs/dbraw/zinc/32/71/65/163327165.db2.gz MHBMTWZYIPSZBH-HUUCEWRRSA-N 2 2 320.437 1.357 10 0 DDAELP CC1(C)C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[C@H]1[NH3+] ZINC000261647188 163678152 /nfs/dbraw/zinc/67/81/52/163678152.db2.gz DXAHSCXYDNRPQT-RBSFLKMASA-N 2 2 309.454 1.216 10 0 DDAELP CC1(C)C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[C@H]1[NH3+] ZINC000261647188 163678153 /nfs/dbraw/zinc/67/81/53/163678153.db2.gz DXAHSCXYDNRPQT-RBSFLKMASA-N 2 2 309.454 1.216 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180492644 274356499 /nfs/dbraw/zinc/35/64/99/274356499.db2.gz XFWFQKJQEMOAHT-NXHRZFHOSA-N 2 2 318.465 1.212 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000180492644 274356500 /nfs/dbraw/zinc/35/65/00/274356500.db2.gz XFWFQKJQEMOAHT-NXHRZFHOSA-N 2 2 318.465 1.212 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991897 308207461 /nfs/dbraw/zinc/20/74/61/308207461.db2.gz AXQMOEMXMBAKOB-YTQUADARSA-N 3 2 317.477 1.601 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991897 308207463 /nfs/dbraw/zinc/20/74/63/308207463.db2.gz AXQMOEMXMBAKOB-YTQUADARSA-N 3 2 317.477 1.601 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC000262069715 484261278 /nfs/dbraw/zinc/26/12/78/484261278.db2.gz BYALACVPQJNHQL-HIFRSBDPSA-N 2 2 310.825 1.799 10 0 DDAELP COc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262130943 484263885 /nfs/dbraw/zinc/26/38/85/484263885.db2.gz NYTDZUYHEQDGDW-MFKMUULPSA-N 2 2 315.211 1.128 10 0 DDAELP C[C@]1(C[NH+]2CCN(c3ccccc3Cl)CC2)COC[C@@H]1[NH3+] ZINC000090606495 185306502 /nfs/dbraw/zinc/30/65/02/185306502.db2.gz YIGYIJOAGXJNKY-HOTGVXAUSA-N 2 2 309.841 1.826 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000303490455 539289049 /nfs/dbraw/zinc/28/90/49/539289049.db2.gz JUNWYZZCURSRTR-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000303490455 539289051 /nfs/dbraw/zinc/28/90/51/539289051.db2.gz JUNWYZZCURSRTR-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000303490455 539289052 /nfs/dbraw/zinc/28/90/52/539289052.db2.gz JUNWYZZCURSRTR-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000303490455 539289054 /nfs/dbraw/zinc/28/90/54/539289054.db2.gz JUNWYZZCURSRTR-BHIYHBOVSA-N 2 2 317.477 1.960 10 0 DDAELP Cn1cnc([C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2[NH3+])c1 ZINC000685941138 539565323 /nfs/dbraw/zinc/56/53/23/539565323.db2.gz SPVBIDMGHOMPKW-IAGOWNOFSA-N 2 2 322.416 1.533 10 0 DDAELP Cn1cnc([C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2[NH3+])c1 ZINC000685941138 539565330 /nfs/dbraw/zinc/56/53/30/539565330.db2.gz SPVBIDMGHOMPKW-IAGOWNOFSA-N 2 2 322.416 1.533 10 0 DDAELP c1ccc(NC[C@H]2CC[N@@H+](CCCN3CCOCC3)C2)[nH+]c1 ZINC000173778892 198250753 /nfs/dbraw/zinc/25/07/53/198250753.db2.gz SSHXSTZEMYPBJA-MRXNPFEDSA-N 2 2 304.438 1.538 10 0 DDAELP c1ccc(NC[C@H]2CC[N@H+](CCCN3CCOCC3)C2)[nH+]c1 ZINC000173778892 198250755 /nfs/dbraw/zinc/25/07/55/198250755.db2.gz SSHXSTZEMYPBJA-MRXNPFEDSA-N 2 2 304.438 1.538 10 0 DDAELP C[NH2+][C@@H](Cc1c(Br)c(C)nn1C)C(C)(C)[NH+](C)C ZINC000091528822 193069984 /nfs/dbraw/zinc/06/99/84/193069984.db2.gz UGFGUNIHTRGGBL-NSHDSACASA-N 2 2 317.275 1.962 10 0 DDAELP CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000093698391 193292764 /nfs/dbraw/zinc/29/27/64/193292764.db2.gz DOETWUJVLYYUGK-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000093698391 193292765 /nfs/dbraw/zinc/29/27/65/193292765.db2.gz DOETWUJVLYYUGK-LSDHHAIUSA-N 2 2 317.499 1.122 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093914017 193328037 /nfs/dbraw/zinc/32/80/37/193328037.db2.gz LWPKPQGSHBZXIC-FZMZJTMJSA-N 2 2 314.861 1.709 10 0 DDAELP CCc1nn(CC)c(C[C@H]([NH3+])[C@@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093914017 193328039 /nfs/dbraw/zinc/32/80/39/193328039.db2.gz LWPKPQGSHBZXIC-FZMZJTMJSA-N 2 2 314.861 1.709 10 0 DDAELP CC(C)[N@@H+]1CCO[C@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000093922853 193328394 /nfs/dbraw/zinc/32/83/94/193328394.db2.gz WMBUOVQVLATOOR-NEPJUHHUSA-N 2 2 312.439 1.099 10 0 DDAELP CC(C)[N@H+]1CCO[C@H](c2noc(C[C@@H]3CSCC[NH2+]3)n2)C1 ZINC000093922853 193328396 /nfs/dbraw/zinc/32/83/96/193328396.db2.gz WMBUOVQVLATOOR-NEPJUHHUSA-N 2 2 312.439 1.099 10 0 DDAELP O=S(=O)(CC[C@H]1CCCC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094440160 193369617 /nfs/dbraw/zinc/36/96/17/193369617.db2.gz FXIUIVUJBLHVFN-HUUCEWRRSA-N 2 2 315.483 1.019 10 0 DDAELP O=S(=O)(CC[C@H]1CCCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094440160 193369619 /nfs/dbraw/zinc/36/96/19/193369619.db2.gz FXIUIVUJBLHVFN-HUUCEWRRSA-N 2 2 315.483 1.019 10 0 DDAELP [NH3+]Cc1ccc(-c2csc([C@@H]3C[NH+]4CCN3CC4)n2)cc1 ZINC000094511570 193375991 /nfs/dbraw/zinc/37/59/91/193375991.db2.gz ZDQPLXAGKJIEEP-HNNXBMFYSA-N 2 2 300.431 1.941 10 0 DDAELP CCCN(CC[NH+](C)C)CC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000041675016 183215628 /nfs/dbraw/zinc/21/56/28/183215628.db2.gz CFINXQNAUQPBFZ-MRXNPFEDSA-N 2 2 301.475 1.581 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)CCOC)OCCO2 ZINC000043968794 183390881 /nfs/dbraw/zinc/39/08/81/183390881.db2.gz ISYSBSMUXIZMFT-LSDHHAIUSA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)CCOC)OCCO2 ZINC000043968794 183390883 /nfs/dbraw/zinc/39/08/83/183390883.db2.gz ISYSBSMUXIZMFT-LSDHHAIUSA-N 2 2 300.443 1.619 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000105897449 194162945 /nfs/dbraw/zinc/16/29/45/194162945.db2.gz UNAVWFKLJOZHQK-CYBMUJFWSA-N 2 2 304.394 1.231 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000105897449 194162948 /nfs/dbraw/zinc/16/29/48/194162948.db2.gz UNAVWFKLJOZHQK-CYBMUJFWSA-N 2 2 304.394 1.231 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000105896435 194163541 /nfs/dbraw/zinc/16/35/41/194163541.db2.gz NKXYSYRWDCYABO-CQSZACIVSA-N 2 2 316.405 1.992 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000105896435 194163543 /nfs/dbraw/zinc/16/35/43/194163543.db2.gz NKXYSYRWDCYABO-CQSZACIVSA-N 2 2 316.405 1.992 10 0 DDAELP CCOC(=O)[C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)[NH2+]C ZINC000111145597 194395056 /nfs/dbraw/zinc/39/50/56/194395056.db2.gz DFLNAGPQTGZBLW-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CCC[NH+](C)C)[NH2+]C ZINC000111145597 194395059 /nfs/dbraw/zinc/39/50/59/194395059.db2.gz DFLNAGPQTGZBLW-INIZCTEOSA-N 3 2 301.475 1.581 10 0 DDAELP CNc1ccc(Cl)c(C[NH+]2CCN(CC[NH+](C)C)CC2)n1 ZINC000061653296 184181339 /nfs/dbraw/zinc/18/13/39/184181339.db2.gz PMBCZHGGSVGEJO-UHFFFAOYSA-N 2 2 311.861 1.456 10 0 DDAELP Cc1cccc(C)c1O[C@@H](C)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142985 184392709 /nfs/dbraw/zinc/39/27/09/184392709.db2.gz MQSAVUZOQTWSEF-INIZCTEOSA-N 2 2 319.449 1.564 10 0 DDAELP O[C@@H](C[NH+]1CCN(CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000122654404 407307230 /nfs/dbraw/zinc/30/72/30/407307230.db2.gz BGUIYBXDBBOGQP-KRWDZBQOSA-N 2 2 300.406 1.234 10 0 DDAELP c1nn(-c2ccccc2)c2nc[nH+]c(NC[C@H]3C[NH2+]CCO3)c12 ZINC000261661090 407572529 /nfs/dbraw/zinc/57/25/29/407572529.db2.gz GGIVASBZDFDLNB-CYBMUJFWSA-N 2 2 310.361 1.216 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171008688 407573677 /nfs/dbraw/zinc/57/36/77/407573677.db2.gz VJKUXKKLULTWAU-AWEZNQCLSA-N 2 2 314.474 1.127 10 0 DDAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171008688 407573680 /nfs/dbraw/zinc/57/36/80/407573680.db2.gz VJKUXKKLULTWAU-AWEZNQCLSA-N 2 2 314.474 1.127 10 0 DDAELP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859074 407644645 /nfs/dbraw/zinc/64/46/45/407644645.db2.gz BYLIHXDPXGTPGZ-RCCFBDPRSA-N 3 2 309.498 1.998 10 0 DDAELP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859074 407644652 /nfs/dbraw/zinc/64/46/52/407644652.db2.gz BYLIHXDPXGTPGZ-RCCFBDPRSA-N 3 2 309.498 1.998 10 0 DDAELP C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262304645 407790997 /nfs/dbraw/zinc/79/09/97/407790997.db2.gz CCLRFGTWPCGKBJ-UKRRQHHQSA-N 2 2 314.389 1.428 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1CC ZINC000117021879 407806355 /nfs/dbraw/zinc/80/63/55/407806355.db2.gz JJSVFHOEVBXKSG-OAHLLOKOSA-N 2 2 323.441 1.025 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1CC ZINC000117021879 407806361 /nfs/dbraw/zinc/80/63/61/407806361.db2.gz JJSVFHOEVBXKSG-OAHLLOKOSA-N 2 2 323.441 1.025 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCSc4ccccc43)C[C@H]12 ZINC000262554878 407866841 /nfs/dbraw/zinc/86/68/41/407866841.db2.gz TYPCDOVWCODQEX-HZSPNIEDSA-N 2 2 317.458 1.794 10 0 DDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCSc4ccccc43)C[C@H]12 ZINC000262554878 407866846 /nfs/dbraw/zinc/86/68/46/407866846.db2.gz TYPCDOVWCODQEX-HZSPNIEDSA-N 2 2 317.458 1.794 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000263071147 408016688 /nfs/dbraw/zinc/01/66/88/408016688.db2.gz WNEPLNBUBNOFSE-FPMFFAJLSA-N 2 2 313.392 1.459 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000263071147 408016693 /nfs/dbraw/zinc/01/66/93/408016693.db2.gz WNEPLNBUBNOFSE-FPMFFAJLSA-N 2 2 313.392 1.459 10 0 DDAELP C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189900444 408132787 /nfs/dbraw/zinc/13/27/87/408132787.db2.gz ZPPJWQYKRDJOAH-PBHICJAKSA-N 2 2 311.389 1.781 10 0 DDAELP CC(C)(C)OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151100336 408256180 /nfs/dbraw/zinc/25/61/80/408256180.db2.gz MZLLQZPXFAASTC-CABCVRRESA-N 2 2 307.438 1.991 10 0 DDAELP Cn1cc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cn1 ZINC000177189449 408546696 /nfs/dbraw/zinc/54/66/96/408546696.db2.gz MEAKTZOEXSJRCX-HNNXBMFYSA-N 2 2 308.389 1.990 10 0 DDAELP Cn1cc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cn1 ZINC000177189449 408546700 /nfs/dbraw/zinc/54/67/00/408546700.db2.gz MEAKTZOEXSJRCX-HNNXBMFYSA-N 2 2 308.389 1.990 10 0 DDAELP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000194232828 163277694 /nfs/dbraw/zinc/27/76/94/163277694.db2.gz BYLBBJFYGOTLHC-GDBMZVCRSA-N 2 2 305.422 1.126 10 0 DDAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540340 307272162 /nfs/dbraw/zinc/27/21/62/307272162.db2.gz OHPXAGSCLDYSHB-KGLIPLIRSA-N 2 2 305.426 1.783 10 0 DDAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000377540340 307272163 /nfs/dbraw/zinc/27/21/63/307272163.db2.gz OHPXAGSCLDYSHB-KGLIPLIRSA-N 2 2 305.426 1.783 10 0 DDAELP CC1(C)CN(Cc2noc(C[NH3+])n2)CC[N@@H+]1Cc1ccccc1 ZINC000261889115 698443050 /nfs/dbraw/zinc/44/30/50/698443050.db2.gz ZKQLTJCGPHFPTD-UHFFFAOYSA-N 2 2 315.421 1.625 10 0 DDAELP CC1(C)CN(Cc2noc(C[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC000261889115 698443053 /nfs/dbraw/zinc/44/30/53/698443053.db2.gz ZKQLTJCGPHFPTD-UHFFFAOYSA-N 2 2 315.421 1.625 10 0 DDAELP C[N@@H+]1CCCC[C@H]1COc1nc(NN)[nH+]cc1Br ZINC000087890430 185234697 /nfs/dbraw/zinc/23/46/97/185234697.db2.gz YKKMACRSMKYJMG-QMMMGPOBSA-N 2 2 316.203 1.388 10 0 DDAELP C[N@H+]1CCCC[C@H]1COc1nc(NN)[nH+]cc1Br ZINC000087890430 185234698 /nfs/dbraw/zinc/23/46/98/185234698.db2.gz YKKMACRSMKYJMG-QMMMGPOBSA-N 2 2 316.203 1.388 10 0 DDAELP Brc1ccccc1C[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306280 185290352 /nfs/dbraw/zinc/29/03/52/185290352.db2.gz XFDPCXZDBRFZJP-UHFFFAOYSA-N 2 2 310.239 1.539 10 0 DDAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000090333083 185291661 /nfs/dbraw/zinc/29/16/61/185291661.db2.gz UOSCZRGTWUAOMJ-REWJHTLYSA-N 2 2 307.463 1.855 10 0 DDAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000090333083 185291662 /nfs/dbraw/zinc/29/16/62/185291662.db2.gz UOSCZRGTWUAOMJ-REWJHTLYSA-N 2 2 307.463 1.855 10 0 DDAELP [NH3+][C@H]1COC[C@@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000090379725 185293799 /nfs/dbraw/zinc/29/37/99/185293799.db2.gz IFNUSTFJQMTMHY-ONGXEEELSA-N 2 2 306.753 1.438 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616625308 362761066 /nfs/dbraw/zinc/76/10/66/362761066.db2.gz JUOHKFYVYPFNNC-GFCCVEGCSA-N 2 2 306.410 1.978 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CC[C@@H](c2ccc[nH+]c2N)C1 ZINC000616625308 362761073 /nfs/dbraw/zinc/76/10/73/362761073.db2.gz JUOHKFYVYPFNNC-GFCCVEGCSA-N 2 2 306.410 1.978 10 0 DDAELP NC(=O)c1cnn2c1CC[C@H](C[NH2+]Cc1cccc3[nH+]ccn31)C2 ZINC000328627296 354551617 /nfs/dbraw/zinc/55/16/17/354551617.db2.gz GAOQMIQNUXNHQB-GFCCVEGCSA-N 2 2 324.388 1.766 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000634999543 422760648 /nfs/dbraw/zinc/76/06/48/422760648.db2.gz WAUMHOMDUIZXAG-SCZZXKLOSA-N 2 2 301.232 1.518 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC000634999543 422760654 /nfs/dbraw/zinc/76/06/54/422760654.db2.gz WAUMHOMDUIZXAG-SCZZXKLOSA-N 2 2 301.232 1.518 10 0 DDAELP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301226 201375821 /nfs/dbraw/zinc/37/58/21/201375821.db2.gz NUYOUNCXMKWXJO-KRWDZBQOSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)CNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195301226 201375825 /nfs/dbraw/zinc/37/58/25/201375825.db2.gz NUYOUNCXMKWXJO-KRWDZBQOSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)CNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195301226 201375828 /nfs/dbraw/zinc/37/58/28/201375828.db2.gz NUYOUNCXMKWXJO-KRWDZBQOSA-N 2 2 318.465 1.608 10 0 DDAELP CC(C)CNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195301226 201375833 /nfs/dbraw/zinc/37/58/33/201375833.db2.gz NUYOUNCXMKWXJO-KRWDZBQOSA-N 2 2 318.465 1.608 10 0 DDAELP CCC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895816 193325824 /nfs/dbraw/zinc/32/58/24/193325824.db2.gz TVZIUBOOMNVPOB-CVEARBPZSA-N 2 2 310.873 1.892 10 0 DDAELP CCC[NH2+][C@H](Cc1ccncc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895816 193325825 /nfs/dbraw/zinc/32/58/25/193325825.db2.gz TVZIUBOOMNVPOB-CVEARBPZSA-N 2 2 310.873 1.892 10 0 DDAELP [NH3+]CCc1cn(CC(=O)Nc2ccc(Br)cc2)c[nH+]1 ZINC000094529574 193376951 /nfs/dbraw/zinc/37/69/51/193376951.db2.gz ZIWDYHJWRPGYHX-UHFFFAOYSA-N 2 2 323.194 1.786 10 0 DDAELP C[N@H+](CCCCCNC(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000041540786 183200742 /nfs/dbraw/zinc/20/07/42/183200742.db2.gz VPJCRQKBTNHUFT-UHFFFAOYSA-N 2 2 309.376 1.861 10 0 DDAELP C[N@@H+](CCCCCNC(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000041540786 183200743 /nfs/dbraw/zinc/20/07/43/183200743.db2.gz VPJCRQKBTNHUFT-UHFFFAOYSA-N 2 2 309.376 1.861 10 0 DDAELP [NH3+]CC1([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCS(=O)(=O)CC1 ZINC000042332360 183254844 /nfs/dbraw/zinc/25/48/44/183254844.db2.gz DNSAWABUORCKKY-KBPBESRZSA-N 2 2 300.468 1.547 10 0 DDAELP [NH3+]CC1([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCS(=O)(=O)CC1 ZINC000042332360 183254846 /nfs/dbraw/zinc/25/48/46/183254846.db2.gz DNSAWABUORCKKY-KBPBESRZSA-N 2 2 300.468 1.547 10 0 DDAELP C[NH2+][C@H](C)c1sc(N2CC[C@H]([NH+]3CCOCC3)C2)nc1C ZINC000062975221 184263671 /nfs/dbraw/zinc/26/36/71/184263671.db2.gz RULPOTCCGKDFPL-YPMHNXCESA-N 2 2 310.467 1.643 10 0 DDAELP C[NH2+]Cc1cnc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000062983179 184264453 /nfs/dbraw/zinc/26/44/53/184264453.db2.gz ZRQDFJIURQXFKF-CYBMUJFWSA-N 2 2 310.829 1.365 10 0 DDAELP CCN(CC)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000065404523 184337776 /nfs/dbraw/zinc/33/77/76/184337776.db2.gz KRZBSGMLLHASFF-ZDUSSCGKSA-N 2 2 304.442 1.580 10 0 DDAELP CCN(CC)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc(N)[nH+]1 ZINC000065404523 184337777 /nfs/dbraw/zinc/33/77/77/184337777.db2.gz KRZBSGMLLHASFF-ZDUSSCGKSA-N 2 2 304.442 1.580 10 0 DDAELP Cc1ccccc1C[N@@H+]1C[C@H]2COC[C@@]2(C[NH+]2CCOCC2)C1 ZINC000248172577 257107421 /nfs/dbraw/zinc/10/74/21/257107421.db2.gz XCVWXEDXZYCGKS-RBUKOAKNSA-N 2 2 316.445 1.776 10 0 DDAELP Cc1ccccc1C[N@H+]1C[C@H]2COC[C@@]2(C[NH+]2CCOCC2)C1 ZINC000248172577 257107422 /nfs/dbraw/zinc/10/74/22/257107422.db2.gz XCVWXEDXZYCGKS-RBUKOAKNSA-N 2 2 316.445 1.776 10 0 DDAELP CC[NH+](CC)C[C@H]1CN(CC(=O)N2CCCC2)Cc2c[nH+]cn21 ZINC000248258934 257107580 /nfs/dbraw/zinc/10/75/80/257107580.db2.gz PRPWZMXRDVYRNY-INIZCTEOSA-N 2 2 319.453 1.204 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000106905593 407365444 /nfs/dbraw/zinc/36/54/44/407365444.db2.gz SLQOYXNGQUKROZ-QZTJIDSGSA-N 2 2 315.461 1.856 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000106905593 407365445 /nfs/dbraw/zinc/36/54/45/407365445.db2.gz SLQOYXNGQUKROZ-QZTJIDSGSA-N 2 2 315.461 1.856 10 0 DDAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000108951946 407392719 /nfs/dbraw/zinc/39/27/19/407392719.db2.gz ZXCNFTFDNUUYMA-AWEZNQCLSA-N 2 2 305.426 1.234 10 0 DDAELP C[NH+](C)C[C@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000108951946 407392721 /nfs/dbraw/zinc/39/27/21/407392721.db2.gz ZXCNFTFDNUUYMA-AWEZNQCLSA-N 2 2 305.426 1.234 10 0 DDAELP [NH3+]C1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCOCC1 ZINC000261849709 407641008 /nfs/dbraw/zinc/64/10/08/407641008.db2.gz MJJQGGOJVJSRAK-UHFFFAOYSA-N 2 2 318.421 1.196 10 0 DDAELP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262017770 407713624 /nfs/dbraw/zinc/71/36/24/407713624.db2.gz WHRKEKWKBXZUPJ-RRFJBIMHSA-N 2 2 319.453 1.251 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000174981941 408020067 /nfs/dbraw/zinc/02/00/67/408020067.db2.gz BIOUPKRZXZYHGE-HZPDHXFCSA-N 2 2 312.417 1.962 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000174981941 408020070 /nfs/dbraw/zinc/02/00/70/408020070.db2.gz BIOUPKRZXZYHGE-HZPDHXFCSA-N 2 2 312.417 1.962 10 0 DDAELP CCCOc1c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cccc1OCC ZINC000263295409 408096409 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DDAELP COc1c(C)c[nH+]c(CN2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1C ZINC000177277711 408570180 /nfs/dbraw/zinc/57/01/80/408570180.db2.gz RTCYJESURBQGSN-RHSMWYFYSA-N 2 2 319.449 1.860 10 0 DDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)[C@@H](C)C1 ZINC000249472479 408730372 /nfs/dbraw/zinc/73/03/72/408730372.db2.gz UPPMVNVYAKZIPM-LSDHHAIUSA-N 2 2 324.473 1.481 10 0 DDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)[C@@H](C)C1 ZINC000249472479 408730375 /nfs/dbraw/zinc/73/03/75/408730375.db2.gz UPPMVNVYAKZIPM-LSDHHAIUSA-N 2 2 324.473 1.481 10 0 DDAELP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178285728 408798878 /nfs/dbraw/zinc/79/88/78/408798878.db2.gz FVJYLLKYXRERSW-AWEZNQCLSA-N 2 2 316.409 1.635 10 0 DDAELP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178285728 408798883 /nfs/dbraw/zinc/79/88/83/408798883.db2.gz FVJYLLKYXRERSW-AWEZNQCLSA-N 2 2 316.409 1.635 10 0 DDAELP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178295386 408799835 /nfs/dbraw/zinc/79/98/35/408799835.db2.gz LMGPJYJGIZLZJM-AWEZNQCLSA-N 2 2 306.435 1.888 10 0 DDAELP Cc1csc(=O)n1CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178295386 408799838 /nfs/dbraw/zinc/79/98/38/408799838.db2.gz LMGPJYJGIZLZJM-AWEZNQCLSA-N 2 2 306.435 1.888 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1nccs1 ZINC000178304296 408802132 /nfs/dbraw/zinc/80/21/32/408802132.db2.gz YGIITYSOKBDKCN-ZDUSSCGKSA-N 2 2 319.434 1.775 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000178304296 408802136 /nfs/dbraw/zinc/80/21/36/408802136.db2.gz YGIITYSOKBDKCN-ZDUSSCGKSA-N 2 2 319.434 1.775 10 0 DDAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000665283313 424774474 /nfs/dbraw/zinc/77/44/74/424774474.db2.gz LIYSHZLWTDOERS-CTWPCTMYSA-N 3 2 316.493 1.662 10 0 DDAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000665283313 424774476 /nfs/dbraw/zinc/77/44/76/424774476.db2.gz LIYSHZLWTDOERS-CTWPCTMYSA-N 3 2 316.493 1.662 10 0 DDAELP C[C@@H]1COC[C@@H](C)[NH+]1CCOCC[NH+]1[C@H](C)COC[C@H]1C ZINC000246828475 282017228 /nfs/dbraw/zinc/01/72/28/282017228.db2.gz AZFJDAIILPPZJN-KLHDSHLOSA-N 2 2 300.443 1.221 10 0 DDAELP Oc1cc2cc[nH+]cc2cc1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC000584639735 337379837 /nfs/dbraw/zinc/37/98/37/337379837.db2.gz FLVNPTKIPBVYBD-UHFFFAOYSA-N 2 2 307.357 1.807 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660320 282097278 /nfs/dbraw/zinc/09/72/78/282097278.db2.gz VWAHGOFKQBENNE-ZIAGYGMSSA-N 2 2 317.355 1.759 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660320 282097281 /nfs/dbraw/zinc/09/72/81/282097281.db2.gz VWAHGOFKQBENNE-ZIAGYGMSSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660320 282097282 /nfs/dbraw/zinc/09/72/82/282097282.db2.gz VWAHGOFKQBENNE-ZIAGYGMSSA-N 2 2 317.355 1.759 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248660320 282097284 /nfs/dbraw/zinc/09/72/84/282097284.db2.gz VWAHGOFKQBENNE-ZIAGYGMSSA-N 2 2 317.355 1.759 10 0 DDAELP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662932 539272356 /nfs/dbraw/zinc/27/23/56/539272356.db2.gz YTYXNGNWWHIPDR-STQMWFEESA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662932 539272357 /nfs/dbraw/zinc/27/23/57/539272357.db2.gz YTYXNGNWWHIPDR-STQMWFEESA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248662932 539272358 /nfs/dbraw/zinc/27/23/58/539272358.db2.gz YTYXNGNWWHIPDR-STQMWFEESA-N 2 2 310.467 1.469 10 0 DDAELP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248662932 539272360 /nfs/dbraw/zinc/27/23/60/539272360.db2.gz YTYXNGNWWHIPDR-STQMWFEESA-N 2 2 310.467 1.469 10 0 DDAELP C[NH2+][C@@H]1C(=O)Nc2cc(-n3cc[nH+]c3)c(Br)cc21 ZINC000092776124 185339903 /nfs/dbraw/zinc/33/99/03/185339903.db2.gz LFZAWVUYOSRBQM-NSHDSACASA-N 2 2 307.151 1.847 10 0 DDAELP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000248854013 282256225 /nfs/dbraw/zinc/25/62/25/282256225.db2.gz KLOZEWNGGMBKCN-NUEKZKHPSA-N 2 2 311.470 1.380 10 0 DDAELP COc1cc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1N ZINC000114008188 353978680 /nfs/dbraw/zinc/97/86/80/353978680.db2.gz DBTOEMIWIZWFCN-UHFFFAOYSA-N 2 2 304.438 1.494 10 0 DDAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1ccn2c[nH+]cc2c1 ZINC000328625688 354550410 /nfs/dbraw/zinc/55/04/10/354550410.db2.gz KXPCGWMVDMFZAC-ZDUSSCGKSA-N 2 2 309.373 1.865 10 0 DDAELP [NH3+][C@H]1CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000237872088 202375674 /nfs/dbraw/zinc/37/56/74/202375674.db2.gz KPLJMTNJYRTKGJ-CABCVRRESA-N 2 2 302.422 1.816 10 0 DDAELP NC(=O)C[N@H+](C[C@@H]1CSc2ccccc21)C1CC[NH2+]CC1 ZINC000092290412 193185352 /nfs/dbraw/zinc/18/53/52/193185352.db2.gz HIPBXLPOISMWSK-GFCCVEGCSA-N 2 2 305.447 1.415 10 0 DDAELP NC(=O)C[N@@H+](C[C@@H]1CSc2ccccc21)C1CC[NH2+]CC1 ZINC000092290412 193185354 /nfs/dbraw/zinc/18/53/54/193185354.db2.gz HIPBXLPOISMWSK-GFCCVEGCSA-N 2 2 305.447 1.415 10 0 DDAELP CC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510292 193375879 /nfs/dbraw/zinc/37/58/79/193375879.db2.gz DSTZGMSNUGLSLR-HOTGVXAUSA-N 2 2 311.832 2.000 10 0 DDAELP CCC[NH2+][C@H](Cc1ccncc1Cl)[C@H]1C[NH+]2CCN1CC2 ZINC000094510523 193376192 /nfs/dbraw/zinc/37/61/92/193376192.db2.gz QGBHCRDZOVYVOJ-HZPDHXFCSA-N 2 2 308.857 1.646 10 0 DDAELP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+](CCO)CCO ZINC000043021071 183329478 /nfs/dbraw/zinc/32/94/78/183329478.db2.gz IGGJWPZPGMWHQC-MFKMUULPSA-N 2 2 317.227 1.124 10 0 DDAELP COC(=O)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915363 194169493 /nfs/dbraw/zinc/16/94/93/194169493.db2.gz XQMSLHGUCWYOAZ-PBHICJAKSA-N 2 2 320.433 1.583 10 0 DDAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000106433207 194213105 /nfs/dbraw/zinc/21/31/05/194213105.db2.gz AHAGYXRJRYPGTD-GOSISDBHSA-N 2 2 315.461 1.714 10 0 DDAELP [NH3+][C@@H]1CCCc2nc(N3CC[C@H]([NH+]4CCOCC4)C3)sc21 ZINC000062975241 184263363 /nfs/dbraw/zinc/26/33/63/184263363.db2.gz UWPLYYDYCWZYIV-NWDGAFQWSA-N 2 2 308.451 1.390 10 0 DDAELP Cc1csc([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093169594 407195081 /nfs/dbraw/zinc/19/50/81/407195081.db2.gz MVTZMHHSQQSWIX-AWEZNQCLSA-N 2 2 322.478 1.405 10 0 DDAELP Cc1csc([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093169594 407195085 /nfs/dbraw/zinc/19/50/85/407195085.db2.gz MVTZMHHSQQSWIX-AWEZNQCLSA-N 2 2 322.478 1.405 10 0 DDAELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000123625751 407335187 /nfs/dbraw/zinc/33/51/87/407335187.db2.gz OIACPYNCXUOGRM-MRXNPFEDSA-N 2 2 302.422 1.531 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000151809919 407504547 /nfs/dbraw/zinc/50/45/47/407504547.db2.gz BXJJQFIFGNKKJE-AWEZNQCLSA-N 2 2 316.409 1.689 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261754839 407604916 /nfs/dbraw/zinc/60/49/16/407604916.db2.gz NPCMWWICNLYUBJ-ZBFHGGJFSA-N 2 2 312.417 1.919 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261754839 407604918 /nfs/dbraw/zinc/60/49/18/407604918.db2.gz NPCMWWICNLYUBJ-ZBFHGGJFSA-N 2 2 312.417 1.919 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cncn2C)nc[nH+]1 ZINC000171627080 407723355 /nfs/dbraw/zinc/72/33/55/407723355.db2.gz JVDPXYMOBDMFRC-LBPRGKRZSA-N 2 2 301.398 1.010 10 0 DDAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000171628036 407725233 /nfs/dbraw/zinc/72/52/33/407725233.db2.gz PUIBNUFVFKWJKU-NWDGAFQWSA-N 2 2 307.398 1.028 10 0 DDAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262731450 407908652 /nfs/dbraw/zinc/90/86/52/407908652.db2.gz BQXJKUAZLSMIPL-AWEZNQCLSA-N 2 2 315.408 1.754 10 0 DDAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245423670 407974298 /nfs/dbraw/zinc/97/42/98/407974298.db2.gz REEJYXGHEVUAIJ-CABCVRRESA-N 2 2 319.453 1.358 10 0 DDAELP 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O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638803866 423130172 /nfs/dbraw/zinc/13/01/72/423130172.db2.gz QJVJOAHKJSUGLZ-CABCVRRESA-N 2 2 323.387 1.622 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000195249573 222195512 /nfs/dbraw/zinc/19/55/12/222195512.db2.gz CHETWGWDYMLKNE-AWEZNQCLSA-N 2 2 313.467 1.214 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000195249573 222195515 /nfs/dbraw/zinc/19/55/15/222195515.db2.gz CHETWGWDYMLKNE-AWEZNQCLSA-N 2 2 313.467 1.214 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000195249573 222195519 /nfs/dbraw/zinc/19/55/19/222195519.db2.gz CHETWGWDYMLKNE-AWEZNQCLSA-N 2 2 313.467 1.214 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000195249573 222195523 /nfs/dbraw/zinc/19/55/23/222195523.db2.gz CHETWGWDYMLKNE-AWEZNQCLSA-N 2 2 313.467 1.214 10 0 DDAELP NNc1nc(N[C@H]2C[NH+]3CCC2CC3)c(Br)c[nH+]1 ZINC000087905053 185237325 /nfs/dbraw/zinc/23/73/25/185237325.db2.gz RBSJDWKIUTVDIS-VIFPVBQESA-N 2 2 313.203 1.031 10 0 DDAELP [NH3+]C[C@@H]([NH2+]CCCO)c1cc(Cl)c2c(c1)OCCCO2 ZINC000087929879 185237560 /nfs/dbraw/zinc/23/75/60/185237560.db2.gz TVTJWLWBWHVJOM-GFCCVEGCSA-N 2 2 300.786 1.473 10 0 DDAELP CNS(=O)(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)o1 ZINC000088540720 185255791 /nfs/dbraw/zinc/25/57/91/185255791.db2.gz DDYLGDMJMNDXRW-LBPRGKRZSA-N 2 2 315.439 1.009 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000090327877 185291257 /nfs/dbraw/zinc/29/12/57/185291257.db2.gz FWKDZEMNPMBLPT-CKYFFXLPSA-N 2 2 311.788 1.957 10 0 DDAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000090327877 185291258 /nfs/dbraw/zinc/29/12/58/185291258.db2.gz FWKDZEMNPMBLPT-CKYFFXLPSA-N 2 2 311.788 1.957 10 0 DDAELP Nc1cc(N)[nH+]c(Sc2cc3c(cc2Cl)[C@H]([NH3+])C(=O)N3)n1 ZINC000092770603 185339307 /nfs/dbraw/zinc/33/93/07/185339307.db2.gz HHVSEPWVWFXCQV-JTQLQIEISA-N 2 2 322.781 1.398 10 0 DDAELP C[NH+](C)Cc1ccc2c(c1)[C@H](C[NH3+])[N@H+](C1CCC(O)CC1)C2 ZINC000071683824 191007127 /nfs/dbraw/zinc/00/71/27/191007127.db2.gz PSPJBCSGLKHRED-HTWSVDAQSA-N 3 2 303.450 1.867 10 0 DDAELP C[NH+](C)Cc1ccc2c(c1)[C@H](C[NH3+])[N@@H+](C1CCC(O)CC1)C2 ZINC000071683824 191007130 /nfs/dbraw/zinc/00/71/30/191007130.db2.gz PSPJBCSGLKHRED-HTWSVDAQSA-N 3 2 303.450 1.867 10 0 DDAELP COC[C@H]1CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1 ZINC000081112405 192228465 /nfs/dbraw/zinc/22/84/65/192228465.db2.gz SXJLEKYAOFKYNA-GOEBONIOSA-N 2 2 300.443 1.665 10 0 DDAELP COC[C@H]1CC[N@@H+](CCC[C@@](C)([NH2+]C(C)C)C(=O)OC)C1 ZINC000081112405 192228468 /nfs/dbraw/zinc/22/84/68/192228468.db2.gz SXJLEKYAOFKYNA-GOEBONIOSA-N 2 2 300.443 1.665 10 0 DDAELP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180677003 199195428 /nfs/dbraw/zinc/19/54/28/199195428.db2.gz JNLHGVACAOZHOD-VXGBXAGGSA-N 2 2 315.377 1.367 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC000634999544 422759987 /nfs/dbraw/zinc/75/99/87/422759987.db2.gz WAUMHOMDUIZXAG-WCBMZHEXSA-N 2 2 301.232 1.518 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC000634999544 422759992 /nfs/dbraw/zinc/75/99/92/422759992.db2.gz WAUMHOMDUIZXAG-WCBMZHEXSA-N 2 2 301.232 1.518 10 0 DDAELP CCn1ncnc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354326 201036884 /nfs/dbraw/zinc/03/68/84/201036884.db2.gz GQRPDLZXNQGWDA-AWEZNQCLSA-N 2 2 300.410 1.935 10 0 DDAELP CCn1ncnc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354326 201036886 /nfs/dbraw/zinc/03/68/86/201036886.db2.gz GQRPDLZXNQGWDA-AWEZNQCLSA-N 2 2 300.410 1.935 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195295267 201375470 /nfs/dbraw/zinc/37/54/70/201375470.db2.gz WFUXHAOAJBCCME-QGZVFWFLSA-N 2 2 316.449 1.362 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000195295267 201375473 /nfs/dbraw/zinc/37/54/73/201375473.db2.gz WFUXHAOAJBCCME-QGZVFWFLSA-N 2 2 316.449 1.362 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000195295267 201375478 /nfs/dbraw/zinc/37/54/78/201375478.db2.gz WFUXHAOAJBCCME-QGZVFWFLSA-N 2 2 316.449 1.362 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000195295267 201375481 /nfs/dbraw/zinc/37/54/81/201375481.db2.gz WFUXHAOAJBCCME-QGZVFWFLSA-N 2 2 316.449 1.362 10 0 DDAELP COCC[N@H+](C)CC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094372294 193367060 /nfs/dbraw/zinc/36/70/60/193367060.db2.gz GSCYWJHIGRWSIE-CQSZACIVSA-N 2 2 302.484 1.599 10 0 DDAELP COCC[N@@H+](C)CC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094372294 193367062 /nfs/dbraw/zinc/36/70/62/193367062.db2.gz GSCYWJHIGRWSIE-CQSZACIVSA-N 2 2 302.484 1.599 10 0 DDAELP [NH3+][C@H](Cc1cccc(Br)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508189 193375450 /nfs/dbraw/zinc/37/54/50/193375450.db2.gz GBGNROHECRVNHT-KGLIPLIRSA-N 2 2 310.239 1.319 10 0 DDAELP [NH3+][C@@H](Cc1cccc(Br)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508188 193375566 /nfs/dbraw/zinc/37/55/66/193375566.db2.gz GBGNROHECRVNHT-KBPBESRZSA-N 2 2 310.239 1.319 10 0 DDAELP Cc1cccnc1Nc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040756834 183129923 /nfs/dbraw/zinc/12/99/23/183129923.db2.gz BBTBGTPQLXLCAJ-UHFFFAOYSA-N 2 2 314.397 1.080 10 0 DDAELP COC(=O)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915369 194167999 /nfs/dbraw/zinc/16/79/99/194167999.db2.gz XQMSLHGUCWYOAZ-WMLDXEAASA-N 2 2 320.433 1.583 10 0 DDAELP CCC[NH2+][C@](C)(CCN(C)CCC[NH+](C)C)C(=O)OCC ZINC000111145352 194395981 /nfs/dbraw/zinc/39/59/81/194395981.db2.gz IXJWTECBZJHDRN-MRXNPFEDSA-N 2 2 301.475 1.581 10 0 DDAELP CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000061542602 184174282 /nfs/dbraw/zinc/17/42/82/184174282.db2.gz VRRSXGKJBYWLGX-JTQLQIEISA-N 2 2 307.789 1.241 10 0 DDAELP CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000061542602 184174283 /nfs/dbraw/zinc/17/42/83/184174283.db2.gz VRRSXGKJBYWLGX-JTQLQIEISA-N 2 2 307.789 1.241 10 0 DDAELP C[NH+]1CCN(c2nc[nH+]c(NCc3ccc(F)cc3)c2N)CC1 ZINC000040726433 134720167 /nfs/dbraw/zinc/72/01/67/134720167.db2.gz KDYALADQKFSSDL-UHFFFAOYSA-N 2 2 316.384 1.562 10 0 DDAELP Cn1c2ccccc2cc(C[NH2+]CCC[NH+]2CCOCC2)c1=O ZINC000039287332 407002067 /nfs/dbraw/zinc/00/20/67/407002067.db2.gz FQOWEWFIHIJKAO-UHFFFAOYSA-N 2 2 315.417 1.350 10 0 DDAELP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000263052682 408011877 /nfs/dbraw/zinc/01/18/77/408011877.db2.gz USGZGZDSMIMJDN-QWRGUYRKSA-N 2 2 303.378 1.464 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000263226327 408063873 /nfs/dbraw/zinc/06/38/73/408063873.db2.gz MWMFRQIVWJSEID-AWEZNQCLSA-N 2 2 310.361 1.498 10 0 DDAELP C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245926679 408101727 /nfs/dbraw/zinc/10/17/27/408101727.db2.gz PTEVROPWIUQUGH-CTVHLWBWSA-N 2 2 321.465 1.323 10 0 DDAELP C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245926679 408101730 /nfs/dbraw/zinc/10/17/30/408101730.db2.gz PTEVROPWIUQUGH-CTVHLWBWSA-N 2 2 321.465 1.323 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246894042 408360814 /nfs/dbraw/zinc/36/08/14/408360814.db2.gz HIHHJGYIIHWMDK-UHDSXZAQSA-N 2 2 323.481 1.427 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246894042 408360818 /nfs/dbraw/zinc/36/08/18/408360818.db2.gz HIHHJGYIIHWMDK-UHDSXZAQSA-N 2 2 323.481 1.427 10 0 DDAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177767069 408705619 /nfs/dbraw/zinc/70/56/19/408705619.db2.gz KLFFLFDRUINFDK-OAHLLOKOSA-N 2 2 315.421 1.960 10 0 DDAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177767069 408705623 /nfs/dbraw/zinc/70/56/23/408705623.db2.gz KLFFLFDRUINFDK-OAHLLOKOSA-N 2 2 315.421 1.960 10 0 DDAELP CSC[C@@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000187880234 163030690 /nfs/dbraw/zinc/03/06/90/163030690.db2.gz FFNLLIREEVBLJR-HNNXBMFYSA-N 2 2 312.483 1.003 10 0 DDAELP CSC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000187880234 163030693 /nfs/dbraw/zinc/03/06/93/163030693.db2.gz FFNLLIREEVBLJR-HNNXBMFYSA-N 2 2 312.483 1.003 10 0 DDAELP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515608 163327190 /nfs/dbraw/zinc/32/71/90/163327190.db2.gz ZRMMDSIMUONLCN-QWHCGFSZSA-N 2 2 319.409 1.050 10 0 DDAELP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515608 163327191 /nfs/dbraw/zinc/32/71/91/163327191.db2.gz ZRMMDSIMUONLCN-QWHCGFSZSA-N 2 2 319.409 1.050 10 0 DDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000282222327 409013891 /nfs/dbraw/zinc/01/38/91/409013891.db2.gz FAPFFDALAHOVKD-WTTBNOFXSA-N 2 2 301.434 1.906 10 0 DDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000282222327 409013893 /nfs/dbraw/zinc/01/38/93/409013893.db2.gz FAPFFDALAHOVKD-WTTBNOFXSA-N 2 2 301.434 1.906 10 0 DDAELP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282655 222195959 /nfs/dbraw/zinc/19/59/59/222195959.db2.gz HXDCVDMRVHZGGQ-GOEBONIOSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282655 222195962 /nfs/dbraw/zinc/19/59/62/222195962.db2.gz HXDCVDMRVHZGGQ-GOEBONIOSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282655 222195968 /nfs/dbraw/zinc/19/59/68/222195968.db2.gz HXDCVDMRVHZGGQ-GOEBONIOSA-N 2 2 304.438 1.312 10 0 DDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000262741809 698479645 /nfs/dbraw/zinc/47/96/45/698479645.db2.gz DTUWAOQGSZGSHE-TVQRCGJNSA-N 2 2 302.382 1.242 10 0 DDAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081901752 192335743 /nfs/dbraw/zinc/33/57/43/192335743.db2.gz RQBARRPODFTBGL-RDGKXADDSA-N 2 2 302.484 1.518 10 0 DDAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081901752 192335746 /nfs/dbraw/zinc/33/57/46/192335746.db2.gz RQBARRPODFTBGL-RDGKXADDSA-N 2 2 302.484 1.518 10 0 DDAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000077120799 185110823 /nfs/dbraw/zinc/11/08/23/185110823.db2.gz SQCXSNVPSFXCQB-UHFFFAOYSA-N 2 2 312.417 1.958 10 0 DDAELP C[C@@H](Cn1cc[nH+]c1)Nc1nc(NN)[nH+]cc1Br ZINC000087865652 185233751 /nfs/dbraw/zinc/23/37/51/185233751.db2.gz QMHOJTKPZDOGBD-ZETCQYMHSA-N 2 2 312.175 1.222 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](COC)C(C)C)nc[nH+]1 ZINC000180574358 199177719 /nfs/dbraw/zinc/17/77/19/199177719.db2.gz DNIBXDMLSVVDHF-UONOGXRCSA-N 2 2 307.442 1.748 10 0 DDAELP CCc1nn(C)c(C[C@H](C[NH+](C)C)[NH2+]C)c1Br ZINC000091719653 193096823 /nfs/dbraw/zinc/09/68/23/193096823.db2.gz KSNBKVLVQHRFAI-SECBINFHSA-N 2 2 303.248 1.437 10 0 DDAELP C[N@@H+]1CCO[C@H](COc2ccc(C[NH3+])cc2C(F)(F)F)C1 ZINC000092054594 193149231 /nfs/dbraw/zinc/14/92/31/193149231.db2.gz XMWDEKPDXBAYIZ-NSHDSACASA-N 2 2 304.312 1.874 10 0 DDAELP C[N@H+]1CCO[C@H](COc2ccc(C[NH3+])cc2C(F)(F)F)C1 ZINC000092054594 193149232 /nfs/dbraw/zinc/14/92/32/193149232.db2.gz XMWDEKPDXBAYIZ-NSHDSACASA-N 2 2 304.312 1.874 10 0 DDAELP C[C@H](C[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC000093696730 193292082 /nfs/dbraw/zinc/29/20/82/193292082.db2.gz HCDZNQBBBLVVKF-HUUCEWRRSA-N 2 2 317.499 1.122 10 0 DDAELP [NH3+]CC[NH+]1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000094183468 193347755 /nfs/dbraw/zinc/34/77/55/193347755.db2.gz YCVZEQBQGXQIIZ-UHFFFAOYSA-N 2 2 301.312 1.257 10 0 DDAELP [NH3+][C@@H](Cc1ccc(Br)cc1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508362 193375311 /nfs/dbraw/zinc/37/53/11/193375311.db2.gz BYRXITAMPNIAJR-UONOGXRCSA-N 2 2 310.239 1.319 10 0 DDAELP CCC1(CC)CC[N@@H+]([C@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)C1 ZINC000094798999 193399354 /nfs/dbraw/zinc/39/93/54/193399354.db2.gz OAJRLBIAACDGOJ-ZFWWWQNUSA-N 2 2 302.484 1.793 10 0 DDAELP CCC1(CC)CC[N@H+]([C@]2(C[NH3+])CCC[C@@H]2S(C)(=O)=O)C1 ZINC000094798999 193399355 /nfs/dbraw/zinc/39/93/55/193399355.db2.gz OAJRLBIAACDGOJ-ZFWWWQNUSA-N 2 2 302.484 1.793 10 0 DDAELP CC[NH2+][C@H](C)c1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062975236 184263759 /nfs/dbraw/zinc/26/37/59/184263759.db2.gz OTRXIXYKPJQOEE-OLZOCXBDSA-N 2 2 310.467 1.725 10 0 DDAELP Cc1[nH+]cc(CN2CCO[C@@H](C[NH+](C)C)C2)n1-c1ccccc1 ZINC000128203931 407509180 /nfs/dbraw/zinc/50/91/80/407509180.db2.gz BEGVEAHMBFQVJP-SFHVURJKSA-N 2 2 314.433 1.943 10 0 DDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000178930021 407660571 /nfs/dbraw/zinc/66/05/71/407660571.db2.gz PUNGRLNKIDZIJW-OAHLLOKOSA-N 2 2 307.442 1.693 10 0 DDAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000178930021 407660576 /nfs/dbraw/zinc/66/05/76/407660576.db2.gz PUNGRLNKIDZIJW-OAHLLOKOSA-N 2 2 307.442 1.693 10 0 DDAELP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000261942976 407682062 /nfs/dbraw/zinc/68/20/62/407682062.db2.gz DYJOCJZUJWHAKO-ZBFHGGJFSA-N 2 2 317.433 1.467 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@@H]1[NH3+] ZINC000261942976 407682066 /nfs/dbraw/zinc/68/20/66/407682066.db2.gz DYJOCJZUJWHAKO-ZBFHGGJFSA-N 2 2 317.433 1.467 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262554202 407865856 /nfs/dbraw/zinc/86/58/56/407865856.db2.gz SZIXFPSJCMGBGM-HBNTYKKESA-N 2 2 323.418 1.142 10 0 DDAELP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262554202 407865860 /nfs/dbraw/zinc/86/58/60/407865860.db2.gz SZIXFPSJCMGBGM-HBNTYKKESA-N 2 2 323.418 1.142 10 0 DDAELP COc1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263267982 408083006 /nfs/dbraw/zinc/08/30/06/408083006.db2.gz RVQPMTBICRTESU-CMPLNLGQSA-N 2 2 315.211 1.128 10 0 DDAELP CC[NH+]1CCC(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000158589288 408350639 /nfs/dbraw/zinc/35/06/39/408350639.db2.gz HYGIARLJDPFMDN-INIZCTEOSA-N 2 2 318.421 1.729 10 0 DDAELP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246888887 408360731 /nfs/dbraw/zinc/36/07/31/408360731.db2.gz HBTJZQIBASWREW-XUWVNRHRSA-N 2 2 309.454 1.181 10 0 DDAELP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246888887 408360734 /nfs/dbraw/zinc/36/07/34/408360734.db2.gz HBTJZQIBASWREW-XUWVNRHRSA-N 2 2 309.454 1.181 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000263283162 163943575 /nfs/dbraw/zinc/94/35/75/163943575.db2.gz UOKIOHNRGPXMOT-JOYOIKCWSA-N 2 2 319.630 1.772 10 0 DDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000312008711 418591985 /nfs/dbraw/zinc/59/19/85/418591985.db2.gz IIMPYBXROSBYMN-IAGOWNOFSA-N 2 2 319.449 1.377 10 0 DDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000312008711 418591991 /nfs/dbraw/zinc/59/19/91/418591991.db2.gz IIMPYBXROSBYMN-IAGOWNOFSA-N 2 2 319.449 1.377 10 0 DDAELP CCOCC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000180477990 276323143 /nfs/dbraw/zinc/32/31/43/276323143.db2.gz LDLWZLXDNLJAOF-DLBZAZTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1CC ZINC000180477990 276323145 /nfs/dbraw/zinc/32/31/45/276323145.db2.gz LDLWZLXDNLJAOF-DLBZAZTESA-N 2 2 313.486 1.140 10 0 DDAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261813184 290241957 /nfs/dbraw/zinc/24/19/57/290241957.db2.gz ZYZCKCDGGJMQLY-SHPPOPEUSA-N 2 2 308.447 1.820 10 0 DDAELP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261813184 290241959 /nfs/dbraw/zinc/24/19/59/290241959.db2.gz ZYZCKCDGGJMQLY-SHPPOPEUSA-N 2 2 308.447 1.820 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2c[nH]nc2C)nc[nH+]1 ZINC000180851191 539236407 /nfs/dbraw/zinc/23/64/07/539236407.db2.gz KHDYECLBVCFJRQ-AAEUAGOBSA-N 2 2 315.425 1.869 10 0 DDAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000173574273 282221256 /nfs/dbraw/zinc/22/12/56/282221256.db2.gz RUZJMKZMXFTSNA-SJORKVTESA-N 2 2 323.481 1.430 10 0 DDAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000173574273 282221258 /nfs/dbraw/zinc/22/12/58/282221258.db2.gz RUZJMKZMXFTSNA-SJORKVTESA-N 2 2 323.481 1.430 10 0 DDAELP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000072129268 191043717 /nfs/dbraw/zinc/04/37/17/191043717.db2.gz JLGJVGLULIOZDU-INIZCTEOSA-N 2 2 310.442 1.646 10 0 DDAELP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000072129268 191043720 /nfs/dbraw/zinc/04/37/20/191043720.db2.gz JLGJVGLULIOZDU-INIZCTEOSA-N 2 2 310.442 1.646 10 0 DDAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cn21 ZINC000171908237 198005878 /nfs/dbraw/zinc/00/58/78/198005878.db2.gz JBWBSIGOHQJZLU-HNNXBMFYSA-N 2 2 313.405 1.632 10 0 DDAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)cn21 ZINC000171908237 198005880 /nfs/dbraw/zinc/00/58/80/198005880.db2.gz JBWBSIGOHQJZLU-HNNXBMFYSA-N 2 2 313.405 1.632 10 0 DDAELP CNC(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1 ZINC000091315135 193038053 /nfs/dbraw/zinc/03/80/53/193038053.db2.gz PAVQXDVBTIREMF-LBPRGKRZSA-N 2 2 314.227 1.344 10 0 DDAELP CNC(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1 ZINC000091315135 193038055 /nfs/dbraw/zinc/03/80/55/193038055.db2.gz PAVQXDVBTIREMF-LBPRGKRZSA-N 2 2 314.227 1.344 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894219 193324191 /nfs/dbraw/zinc/32/41/91/193324191.db2.gz QHRAKRLUFWZWGD-RISCZKNCSA-N 2 2 313.877 1.234 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894219 193324192 /nfs/dbraw/zinc/32/41/92/193324192.db2.gz QHRAKRLUFWZWGD-RISCZKNCSA-N 2 2 313.877 1.234 10 0 DDAELP [NH3+]Cc1cccc(-c2csc([C@@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000094511572 193375610 /nfs/dbraw/zinc/37/56/10/193375610.db2.gz QEOMPZAKVCWCEL-HNNXBMFYSA-N 2 2 300.431 1.941 10 0 DDAELP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H](C[NH3+])C1 ZINC000333650162 249056285 /nfs/dbraw/zinc/05/62/85/249056285.db2.gz VQQACBKZTLZOMY-RDBSUJKOSA-N 2 2 305.426 1.529 10 0 DDAELP CC(C)C[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[NH+](C)C ZINC000105786895 194126477 /nfs/dbraw/zinc/12/64/77/194126477.db2.gz MVWQEOWWQJZIDW-HUUCEWRRSA-N 2 2 321.469 1.826 10 0 DDAELP C[NH+](C)CC(C)(C)CNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061536349 184172675 /nfs/dbraw/zinc/17/26/75/184172675.db2.gz VGMQOGZFLXVETD-UHFFFAOYSA-N 2 2 309.805 1.710 10 0 DDAELP NC(=[NH2+])c1ncccc1C[NH+]1CCN(c2nccs2)CC1 ZINC000061657766 184180950 /nfs/dbraw/zinc/18/09/50/184180950.db2.gz UOKPYNNNGWXXFN-UHFFFAOYSA-N 2 2 302.407 1.144 10 0 DDAELP CC[NH2+][C@H](CCN(CC[NH+](C)C)CC(C)C)C(=O)OCC ZINC000062456133 184237466 /nfs/dbraw/zinc/23/74/66/184237466.db2.gz OFNMXFLUHXZLNY-OAHLLOKOSA-N 2 2 301.475 1.437 10 0 DDAELP CC[C@@H]([NH3+])[C@H](c1ccsc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977884 184264156 /nfs/dbraw/zinc/26/41/56/184264156.db2.gz MNVDVVXOGNCETL-XHSDSOJGSA-N 2 2 309.479 1.933 10 0 DDAELP COCC[N@@H+]1CC[C@H]2C[NH+](Cc3cccnc3OC)C[C@H]2C1 ZINC000247816932 257117197 /nfs/dbraw/zinc/11/71/97/257117197.db2.gz BQNJSYDHEWCXKJ-GOEBONIOSA-N 2 2 305.422 1.490 10 0 DDAELP COCC[N@H+]1CC[C@H]2C[NH+](Cc3cccnc3OC)C[C@H]2C1 ZINC000247816932 257117199 /nfs/dbraw/zinc/11/71/99/257117199.db2.gz BQNJSYDHEWCXKJ-GOEBONIOSA-N 2 2 305.422 1.490 10 0 DDAELP COCC[NH+]1CC[C@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C1 ZINC000247816932 257117201 /nfs/dbraw/zinc/11/72/01/257117201.db2.gz BQNJSYDHEWCXKJ-GOEBONIOSA-N 2 2 305.422 1.490 10 0 DDAELP COCC[NH+]1CC[C@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2C1 ZINC000247816932 257117202 /nfs/dbraw/zinc/11/72/02/257117202.db2.gz BQNJSYDHEWCXKJ-GOEBONIOSA-N 2 2 305.422 1.490 10 0 DDAELP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000152560478 407654218 /nfs/dbraw/zinc/65/42/18/407654218.db2.gz KKBKBGVGGTZLMS-HNNXBMFYSA-N 2 2 314.474 1.080 10 0 DDAELP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000152560478 407654221 /nfs/dbraw/zinc/65/42/21/407654221.db2.gz KKBKBGVGGTZLMS-HNNXBMFYSA-N 2 2 314.474 1.080 10 0 DDAELP [NH3+]C1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCOCC1 ZINC000261928656 407676387 /nfs/dbraw/zinc/67/63/87/407676387.db2.gz VZSUWWVMXBNCIX-UHFFFAOYSA-N 2 2 308.769 1.112 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965899 407694338 /nfs/dbraw/zinc/69/43/38/407694338.db2.gz PZJNXKNCVXDKTE-SFFUCWETSA-N 3 2 309.498 1.854 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965899 407694344 /nfs/dbraw/zinc/69/43/44/407694344.db2.gz PZJNXKNCVXDKTE-SFFUCWETSA-N 3 2 309.498 1.854 10 0 DDAELP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000262017775 407715512 /nfs/dbraw/zinc/71/55/12/407715512.db2.gz WHRKEKWKBXZUPJ-ZNMIVQPWSA-N 2 2 319.453 1.251 10 0 DDAELP O=C(CCCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171767362 407764159 /nfs/dbraw/zinc/76/41/59/407764159.db2.gz UVKIFFJRXHIHNV-INIZCTEOSA-N 2 2 309.454 1.186 10 0 DDAELP O=C(CCCC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171767362 407764166 /nfs/dbraw/zinc/76/41/66/407764166.db2.gz UVKIFFJRXHIHNV-INIZCTEOSA-N 2 2 309.454 1.186 10 0 DDAELP CC[C@@H]1CN(CCCCn2cc[nH+]c2C)CC[N@@H+]1C[C@H](C)O ZINC000245573801 408018189 /nfs/dbraw/zinc/01/81/89/408018189.db2.gz AHLZGPZLIJIJOR-DOTOQJQBSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@@H]1CN(CCCCn2cc[nH+]c2C)CC[N@H+]1C[C@H](C)O ZINC000245573801 408018197 /nfs/dbraw/zinc/01/81/97/408018197.db2.gz AHLZGPZLIJIJOR-DOTOQJQBSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1C[C@H](C)O ZINC000245573801 408018202 /nfs/dbraw/zinc/01/82/02/408018202.db2.gz AHLZGPZLIJIJOR-DOTOQJQBSA-N 2 2 308.470 1.749 10 0 DDAELP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1C[C@H](C)O ZINC000245573801 408018211 /nfs/dbraw/zinc/01/82/11/408018211.db2.gz AHLZGPZLIJIJOR-DOTOQJQBSA-N 2 2 308.470 1.749 10 0 DDAELP Cc1[nH+]c2ccccc2n1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263243038 408073093 /nfs/dbraw/zinc/07/30/93/408073093.db2.gz OVVCMQXIPSENPP-CQSZACIVSA-N 2 2 312.377 1.352 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000263300709 408094877 /nfs/dbraw/zinc/09/48/77/408094877.db2.gz XAKJALHIPNCRLL-CYBMUJFWSA-N 2 2 312.377 1.307 10 0 DDAELP C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245926690 408101184 /nfs/dbraw/zinc/10/11/84/408101184.db2.gz PTEVROPWIUQUGH-REOARJMMSA-N 2 2 321.465 1.323 10 0 DDAELP C[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245926690 408101190 /nfs/dbraw/zinc/10/11/90/408101190.db2.gz PTEVROPWIUQUGH-REOARJMMSA-N 2 2 321.465 1.323 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000263319192 408107716 /nfs/dbraw/zinc/10/77/16/408107716.db2.gz ZZLVCNWSAHYXEP-HNNXBMFYSA-N 2 2 324.388 1.558 10 0 DDAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000248327416 408548817 /nfs/dbraw/zinc/54/88/17/408548817.db2.gz CKBAEKIJIOWWEG-GOEBONIOSA-N 2 2 309.454 1.088 10 0 DDAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000248327416 408548823 /nfs/dbraw/zinc/54/88/23/408548823.db2.gz CKBAEKIJIOWWEG-GOEBONIOSA-N 2 2 309.454 1.088 10 0 DDAELP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000248327416 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DDAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283250 424774316 /nfs/dbraw/zinc/77/43/16/424774316.db2.gz JZFBWQQSJRZNFU-UHOSZYNNSA-N 3 2 316.493 1.390 10 0 DDAELP O=C(C[C@H]1COCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000262359953 295548991 /nfs/dbraw/zinc/54/89/91/295548991.db2.gz KEXRBDLRYPINEY-LBPRGKRZSA-N 2 2 324.450 1.446 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000168033018 298217965 /nfs/dbraw/zinc/21/79/65/298217965.db2.gz RSWJEAGFAFKMOV-YOEHRIQHSA-N 2 2 317.433 1.053 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000168033018 298217968 /nfs/dbraw/zinc/21/79/68/298217968.db2.gz RSWJEAGFAFKMOV-YOEHRIQHSA-N 2 2 317.433 1.053 10 0 DDAELP COc1ccc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262130941 484264127 /nfs/dbraw/zinc/26/41/27/484264127.db2.gz NYTDZUYHEQDGDW-GWCFXTLKSA-N 2 2 315.211 1.128 10 0 DDAELP Cc1nc(NC[C@@H]2C[N@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000322970238 484414129 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10 0 DDAELP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)COCc1ccccc1 ZINC000720388012 699305593 /nfs/dbraw/zinc/30/55/93/699305593.db2.gz AFAHZAPLMAXEAV-KZNAEPCWSA-N 2 2 304.434 1.733 10 0 DDAELP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)COCc1ccccc1 ZINC000720388012 699305597 /nfs/dbraw/zinc/30/55/97/699305597.db2.gz AFAHZAPLMAXEAV-KZNAEPCWSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000720388012 699305601 /nfs/dbraw/zinc/30/56/01/699305601.db2.gz AFAHZAPLMAXEAV-KZNAEPCWSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)COCc1ccccc1 ZINC000720388012 699305605 /nfs/dbraw/zinc/30/56/05/699305605.db2.gz AFAHZAPLMAXEAV-KZNAEPCWSA-N 2 2 304.434 1.733 10 0 DDAELP Brc1ccsc1C[NH2+]CC[C@H]1COCC[NH2+]1 ZINC000087575987 185228837 /nfs/dbraw/zinc/22/88/37/185228837.db2.gz WMXJUSGRGHUOOH-VIFPVBQESA-N 2 2 305.241 1.979 10 0 DDAELP Brc1csc(C[NH+]2CCN(C3C[NH2+]C3)CC2)c1 ZINC000090306286 185290138 /nfs/dbraw/zinc/29/01/38/185290138.db2.gz GYEKXDOAPPJLGT-UHFFFAOYSA-N 2 2 316.268 1.600 10 0 DDAELP [NH3+][C@H]1COC[C@H]1C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000090379724 185293589 /nfs/dbraw/zinc/29/35/89/185293589.db2.gz IFNUSTFJQMTMHY-KOLCDFICSA-N 2 2 306.753 1.438 10 0 DDAELP CC[C@H](O)C[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000174072063 198288368 /nfs/dbraw/zinc/28/83/68/198288368.db2.gz XJSQXJJBIPNSLA-HNNXBMFYSA-N 2 2 307.438 1.596 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnccn2)nc[nH+]1 ZINC000180573790 199178231 /nfs/dbraw/zinc/17/82/31/199178231.db2.gz YTQJDBCGUXQTHK-STQMWFEESA-N 2 2 313.409 1.628 10 0 DDAELP CC(C)C[NH2+]Cc1cccc(C[N@H+](C)CCS(C)(=O)=O)c1 ZINC000094300974 193358386 /nfs/dbraw/zinc/35/83/86/193358386.db2.gz WMHIHZJNBKNNQF-UHFFFAOYSA-N 2 2 312.479 1.909 10 0 DDAELP CC(C)C[NH2+]Cc1cccc(C[N@@H+](C)CCS(C)(=O)=O)c1 ZINC000094300974 193358388 /nfs/dbraw/zinc/35/83/88/193358388.db2.gz WMHIHZJNBKNNQF-UHFFFAOYSA-N 2 2 312.479 1.909 10 0 DDAELP C[NH2+][C@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509004 193376157 /nfs/dbraw/zinc/37/61/57/193376157.db2.gz IPCMXIYHLRXLGP-CHWSQXEVSA-N 2 2 308.495 1.571 10 0 DDAELP CC1(C)C[N@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@@H]1[NH3+] ZINC000261610018 207365376 /nfs/dbraw/zinc/36/53/76/207365376.db2.gz BWJAWUAZAMLABU-LBPRGKRZSA-N 2 2 324.450 1.133 10 0 DDAELP CC1(C)C[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC[C@@H]1[NH3+] ZINC000261610018 207365386 /nfs/dbraw/zinc/36/53/86/207365386.db2.gz BWJAWUAZAMLABU-LBPRGKRZSA-N 2 2 324.450 1.133 10 0 DDAELP [NH3+][C@H]1CC[C@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000178853266 407626703 /nfs/dbraw/zinc/62/67/03/407626703.db2.gz VMRCJCHVDFQTNF-HOTGVXAUSA-N 2 2 312.417 1.869 10 0 DDAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000171286405 407649499 /nfs/dbraw/zinc/64/94/99/407649499.db2.gz MPNHDMJFGRMUTM-IRXDYDNUSA-N 2 2 317.433 1.098 10 0 DDAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000171286405 407649506 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CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262404227 407824825 /nfs/dbraw/zinc/82/48/25/407824825.db2.gz COTKYVRCMQUXEF-MELADBBJSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262404227 407824832 /nfs/dbraw/zinc/82/48/32/407824832.db2.gz COTKYVRCMQUXEF-MELADBBJSA-N 2 2 303.406 1.693 10 0 DDAELP C[N@H+](CC(=O)NCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262546759 407862830 /nfs/dbraw/zinc/86/28/30/407862830.db2.gz RVEQBRYLXSWVQU-OAHLLOKOSA-N 2 2 305.422 1.256 10 0 DDAELP C[N@@H+](CC(=O)NCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000262546759 407862836 /nfs/dbraw/zinc/86/28/36/407862836.db2.gz RVEQBRYLXSWVQU-OAHLLOKOSA-N 2 2 305.422 1.256 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000263161408 408042799 /nfs/dbraw/zinc/04/27/99/408042799.db2.gz DWEVOFALQAXTAN-CQSZACIVSA-N 2 2 301.394 1.278 10 0 DDAELP CN1CC[NH2+]C[C@@H]1c1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000263161408 408042805 /nfs/dbraw/zinc/04/28/05/408042805.db2.gz DWEVOFALQAXTAN-CQSZACIVSA-N 2 2 301.394 1.278 10 0 DDAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175470268 408139801 /nfs/dbraw/zinc/13/98/01/408139801.db2.gz HIKMLILJAIIBPE-CQSZACIVSA-N 2 2 323.441 1.011 10 0 DDAELP CCn1nccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121213316 408165122 /nfs/dbraw/zinc/16/51/22/408165122.db2.gz OBIDELPLEXQOLY-UHFFFAOYSA-N 2 2 316.453 1.696 10 0 DDAELP CCn1nccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121213316 408165128 /nfs/dbraw/zinc/16/51/28/408165128.db2.gz OBIDELPLEXQOLY-UHFFFAOYSA-N 2 2 316.453 1.696 10 0 DDAELP C[C@@H]1CCCN(c2cc(N3CCO[C@H](C[NH+](C)C)C3)nc[nH+]2)C1 ZINC000170999898 162201811 /nfs/dbraw/zinc/20/18/11/162201811.db2.gz YGNODQGVYVNSIL-HUUCEWRRSA-N 2 2 319.453 1.480 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003140 408525987 /nfs/dbraw/zinc/52/59/87/408525987.db2.gz KPHVFIVATCJMFP-XYJFISCASA-N 2 2 323.481 1.166 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000248003140 408525993 /nfs/dbraw/zinc/52/59/93/408525993.db2.gz KPHVFIVATCJMFP-XYJFISCASA-N 2 2 323.481 1.166 10 0 DDAELP C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000190783651 163158837 /nfs/dbraw/zinc/15/88/37/163158837.db2.gz NGNFKQUWELXLCG-WMLDXEAASA-N 2 2 323.481 1.476 10 0 DDAELP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000282222321 409013392 /nfs/dbraw/zinc/01/33/92/409013392.db2.gz FAPFFDALAHOVKD-DIECFANBSA-N 2 2 301.434 1.906 10 0 DDAELP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000282222321 409013394 /nfs/dbraw/zinc/01/33/94/409013394.db2.gz FAPFFDALAHOVKD-DIECFANBSA-N 2 2 301.434 1.906 10 0 DDAELP CC[C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)[NH+](C)C ZINC000151689629 281696089 /nfs/dbraw/zinc/69/60/89/281696089.db2.gz URUQTOYQBZNGNQ-INIZCTEOSA-N 2 2 321.469 1.021 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000333023886 298313857 /nfs/dbraw/zinc/31/38/57/298313857.db2.gz GHDUJCRFEWSSML-QLFBSQMISA-N 2 2 305.426 1.540 10 0 DDAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC[N@H+]1C ZINC000333023886 298313858 /nfs/dbraw/zinc/31/38/58/298313858.db2.gz GHDUJCRFEWSSML-QLFBSQMISA-N 2 2 305.426 1.540 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479286 302369827 /nfs/dbraw/zinc/36/98/27/302369827.db2.gz VUFDNEPJEVQYGD-QXAKKESOSA-N 3 2 317.477 1.865 10 0 DDAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479286 302369830 /nfs/dbraw/zinc/36/98/30/302369830.db2.gz VUFDNEPJEVQYGD-QXAKKESOSA-N 3 2 317.477 1.865 10 0 DDAELP C[C@@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000136195415 696853181 /nfs/dbraw/zinc/85/31/81/696853181.db2.gz GLZIARAUUNOHKW-INIZCTEOSA-N 2 2 307.463 1.925 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000248645230 282095682 /nfs/dbraw/zinc/09/56/82/282095682.db2.gz GBELWMHRGKISGN-KGLIPLIRSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000248645230 282095683 /nfs/dbraw/zinc/09/56/83/282095683.db2.gz GBELWMHRGKISGN-KGLIPLIRSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000248645230 282095686 /nfs/dbraw/zinc/09/56/86/282095686.db2.gz GBELWMHRGKISGN-KGLIPLIRSA-N 2 2 322.478 1.436 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000248645230 282095688 /nfs/dbraw/zinc/09/56/88/282095688.db2.gz GBELWMHRGKISGN-KGLIPLIRSA-N 2 2 322.478 1.436 10 0 DDAELP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)nn1 ZINC000328683099 231307269 /nfs/dbraw/zinc/30/72/69/231307269.db2.gz PCEZMVDGUCGMNM-UHFFFAOYSA-N 2 2 301.394 1.673 10 0 DDAELP O=C([C@H]1CCCCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000080995857 192209736 /nfs/dbraw/zinc/20/97/36/192209736.db2.gz IURKTHXCFKJLRM-OAHLLOKOSA-N 2 2 307.463 1.925 10 0 DDAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3[nH+]ccn32)CC1 ZINC000180093911 199116795 /nfs/dbraw/zinc/11/67/95/199116795.db2.gz MEQDGSNISVNTMM-HNNXBMFYSA-N 3 2 316.449 1.859 10 0 DDAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3[nH+]ccn32)CC1 ZINC000180093911 199116797 /nfs/dbraw/zinc/11/67/97/199116797.db2.gz MEQDGSNISVNTMM-HNNXBMFYSA-N 3 2 316.449 1.859 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1CC ZINC000188188741 200206765 /nfs/dbraw/zinc/20/67/65/200206765.db2.gz HDUQOZMKMHUMJL-CQSZACIVSA-N 2 2 309.410 1.311 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1CC ZINC000188188741 200206766 /nfs/dbraw/zinc/20/67/66/200206766.db2.gz HDUQOZMKMHUMJL-CQSZACIVSA-N 2 2 309.410 1.311 10 0 DDAELP [NH3+][C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000237798384 202356753 /nfs/dbraw/zinc/35/67/53/202356753.db2.gz NTJFMGLTRNFDPG-DOTOQJQBSA-N 2 2 317.433 1.257 10 0 DDAELP CCc1nn(CC)c(C[C@@H](C[NH+](C)C)[NH2+]C)c1Br ZINC000091719706 193097222 /nfs/dbraw/zinc/09/72/22/193097222.db2.gz QKYPJJFYVCRYEE-JTQLQIEISA-N 2 2 317.275 1.920 10 0 DDAELP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000093523424 193263640 /nfs/dbraw/zinc/26/36/40/193263640.db2.gz ULZIVTKKYIAPFS-UHFFFAOYSA-N 2 2 311.451 1.463 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2C[N@H+](C)CCN2C)c1Cl ZINC000093894221 193323531 /nfs/dbraw/zinc/32/35/31/193323531.db2.gz QHRAKRLUFWZWGD-BXUZGUMPSA-N 2 2 313.877 1.234 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@H]2C[N@@H+](C)CCN2C)c1Cl ZINC000093894221 193323534 /nfs/dbraw/zinc/32/35/34/193323534.db2.gz QHRAKRLUFWZWGD-BXUZGUMPSA-N 2 2 313.877 1.234 10 0 DDAELP CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@H+](C)CCN1C ZINC000093895491 193325473 /nfs/dbraw/zinc/32/54/73/193325473.db2.gz PPDUEHFAESEPCR-JSGCOSHPSA-N 2 2 313.877 1.148 10 0 DDAELP CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895491 193325474 /nfs/dbraw/zinc/32/54/74/193325474.db2.gz PPDUEHFAESEPCR-JSGCOSHPSA-N 2 2 313.877 1.148 10 0 DDAELP C[NH2+]Cc1c2ccccc2oc1C[N@H+](C)CCS(C)(=O)=O ZINC000094300817 193358380 /nfs/dbraw/zinc/35/83/80/193358380.db2.gz UMPXEEJFDONPHH-UHFFFAOYSA-N 2 2 310.419 1.629 10 0 DDAELP C[NH2+]Cc1c2ccccc2oc1C[N@@H+](C)CCS(C)(=O)=O ZINC000094300817 193358382 /nfs/dbraw/zinc/35/83/82/193358382.db2.gz UMPXEEJFDONPHH-UHFFFAOYSA-N 2 2 310.419 1.629 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(N3CCCCCC3)c2N)CC1 ZINC000040725443 183125120 /nfs/dbraw/zinc/12/51/20/183125120.db2.gz GPLCSRJARTYECR-UHFFFAOYSA-N 2 2 305.430 1.014 10 0 DDAELP CC[N@@H+]1CC[C@H](CNc2[nH+]c3c(cc2C(N)=S)CCC3)C1 ZINC000043408651 183359638 /nfs/dbraw/zinc/35/96/38/183359638.db2.gz URLHGUWFKNKXLZ-LLVKDONJSA-N 2 2 304.463 1.958 10 0 DDAELP CC[N@H+]1CC[C@H](CNc2[nH+]c3c(cc2C(N)=S)CCC3)C1 ZINC000043408651 183359640 /nfs/dbraw/zinc/35/96/40/183359640.db2.gz URLHGUWFKNKXLZ-LLVKDONJSA-N 2 2 304.463 1.958 10 0 DDAELP CCC[NH+](CCC)CCCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105241791 194087937 /nfs/dbraw/zinc/08/79/37/194087937.db2.gz TXUYWYZNMGBBAX-HNNXBMFYSA-N 2 2 314.474 1.128 10 0 DDAELP CCC[NH+](CCC)CCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105241791 194087939 /nfs/dbraw/zinc/08/79/39/194087939.db2.gz TXUYWYZNMGBBAX-HNNXBMFYSA-N 2 2 314.474 1.128 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)CCCOC)OCCO2 ZINC000062031291 184202285 /nfs/dbraw/zinc/20/22/85/184202285.db2.gz KCCBIYWNOWMRQI-LSDHHAIUSA-N 2 2 300.443 1.619 10 0 DDAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)CCCOC)OCCO2 ZINC000062031291 184202286 /nfs/dbraw/zinc/20/22/86/184202286.db2.gz KCCBIYWNOWMRQI-LSDHHAIUSA-N 2 2 300.443 1.619 10 0 DDAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)CCOC)C12CCOCC2 ZINC000186310538 286386336 /nfs/dbraw/zinc/38/63/36/286386336.db2.gz KMZAAZDKAMYMQA-LSDHHAIUSA-N 2 2 300.443 1.128 10 0 DDAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)CCOC)C12CCOCC2 ZINC000186310538 286386337 /nfs/dbraw/zinc/38/63/37/286386337.db2.gz KMZAAZDKAMYMQA-LSDHHAIUSA-N 2 2 300.443 1.128 10 0 DDAELP CC[N@@H+]1CCC[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000052528887 407152234 /nfs/dbraw/zinc/15/22/34/407152234.db2.gz KSHBEELCHBMNHE-AWEZNQCLSA-N 2 2 305.426 1.667 10 0 DDAELP CC[N@H+]1CCC[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000052528887 407152236 /nfs/dbraw/zinc/15/22/36/407152236.db2.gz KSHBEELCHBMNHE-AWEZNQCLSA-N 2 2 305.426 1.667 10 0 DDAELP [NH3+][C@@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCOCC1 ZINC000261764108 407606803 /nfs/dbraw/zinc/60/68/03/407606803.db2.gz LXRPVENFFVUJNX-CQSZACIVSA-N 2 2 322.796 1.358 10 0 DDAELP CCN(C)C(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000130352298 407679008 /nfs/dbraw/zinc/67/90/08/407679008.db2.gz YJJIKKANGWEPME-UHFFFAOYSA-N 2 2 321.469 1.148 10 0 DDAELP CCN(C)C(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000130352298 407679018 /nfs/dbraw/zinc/67/90/18/407679018.db2.gz YJJIKKANGWEPME-UHFFFAOYSA-N 2 2 321.469 1.148 10 0 DDAELP C[N@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000231669585 407698664 /nfs/dbraw/zinc/69/86/64/407698664.db2.gz ZLTGPPIHDIPRQH-CQSZACIVSA-N 2 2 307.463 1.707 10 0 DDAELP C[N@@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000231669585 407698668 /nfs/dbraw/zinc/69/86/68/407698668.db2.gz ZLTGPPIHDIPRQH-CQSZACIVSA-N 2 2 307.463 1.707 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000263122388 408032507 /nfs/dbraw/zinc/03/25/07/408032507.db2.gz BAFJFZPXUNMRHD-HQJQHLMTSA-N 2 2 321.165 1.397 10 0 DDAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000151307981 408293791 /nfs/dbraw/zinc/29/37/91/408293791.db2.gz LOQADSKVGAXCFC-KHJUTWJGSA-N 2 2 324.490 1.921 10 0 DDAELP CCC[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000161586473 408617360 /nfs/dbraw/zinc/61/73/60/408617360.db2.gz MKYJCLKDRNFDAJ-OAHLLOKOSA-N 2 2 304.438 1.897 10 0 DDAELP Cc1cc(-n2cc[nH+]c2)ccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000192010061 163212066 /nfs/dbraw/zinc/21/20/66/163212066.db2.gz CNAAHKDMLSEHNL-SFHVURJKSA-N 2 2 314.433 1.943 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000193505954 163258102 /nfs/dbraw/zinc/25/81/02/163258102.db2.gz PFXJSXGHEUBXGA-PVAVHDDUSA-N 2 2 323.481 1.475 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000193505954 163258105 /nfs/dbraw/zinc/25/81/05/163258105.db2.gz PFXJSXGHEUBXGA-PVAVHDDUSA-N 2 2 323.481 1.475 10 0 DDAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000193505954 163258106 /nfs/dbraw/zinc/25/81/06/163258106.db2.gz PFXJSXGHEUBXGA-PVAVHDDUSA-N 2 2 323.481 1.475 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000195506382 163325261 /nfs/dbraw/zinc/32/52/61/163325261.db2.gz MACJYWCAUVWSPF-CQSZACIVSA-N 2 2 319.453 1.142 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903665 423107792 /nfs/dbraw/zinc/10/77/92/423107792.db2.gz OAVNPQNCMDSJTR-CABCVRRESA-N 2 2 302.484 1.664 10 0 DDAELP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903665 423107794 /nfs/dbraw/zinc/10/77/94/423107794.db2.gz OAVNPQNCMDSJTR-CABCVRRESA-N 2 2 302.484 1.664 10 0 DDAELP C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000341622335 271143304 /nfs/dbraw/zinc/14/33/04/271143304.db2.gz VDRMPRRDZOXKCC-FPCVCCKLSA-N 2 2 319.453 1.958 10 0 DDAELP C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402703 297152234 /nfs/dbraw/zinc/15/22/34/297152234.db2.gz VYGYGHZKWHMFBE-HLLBOEOZSA-N 2 2 319.449 1.515 10 0 DDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402703 297152236 /nfs/dbraw/zinc/15/22/36/297152236.db2.gz VYGYGHZKWHMFBE-HLLBOEOZSA-N 2 2 319.449 1.515 10 0 DDAELP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000284576823 303029183 /nfs/dbraw/zinc/02/91/83/303029183.db2.gz PJUQEIDTJDUXPG-FRQCXROJSA-N 2 2 324.428 1.887 10 0 DDAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C2 ZINC000261819585 484257752 /nfs/dbraw/zinc/25/77/52/484257752.db2.gz SOAFQHFDEDDVAM-HZSPNIEDSA-N 2 2 318.465 1.987 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000262114691 484262348 /nfs/dbraw/zinc/26/23/48/484262348.db2.gz LBLKMBJUNAIJKU-SKDRFNHKSA-N 2 2 319.630 1.772 10 0 DDAELP [NH3+]CCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000020181801 190645822 /nfs/dbraw/zinc/64/58/22/190645822.db2.gz PPRXBKILWXAJJH-UHFFFAOYSA-N 2 2 301.312 1.211 10 0 DDAELP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]([NH3+])CCSC)c1C ZINC000182100511 199386569 /nfs/dbraw/zinc/38/65/69/199386569.db2.gz OBUOZDUQAMILCI-GFCCVEGCSA-N 2 2 311.451 1.746 10 0 DDAELP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](Cc2ccco2)CC1 ZINC000091135792 193001797 /nfs/dbraw/zinc/00/17/97/193001797.db2.gz XYQBBSHNANSJEW-ZDUSSCGKSA-N 2 2 309.435 1.019 10 0 DDAELP C[N@H+](Cc1cccc(Br)c1)[C@H](C[NH3+])CC(N)=O ZINC000091314717 193037883 /nfs/dbraw/zinc/03/78/83/193037883.db2.gz DOLSYDGKNCJQRY-NSHDSACASA-N 2 2 300.200 1.084 10 0 DDAELP C[N@@H+](Cc1cccc(Br)c1)[C@H](C[NH3+])CC(N)=O ZINC000091314717 193037885 /nfs/dbraw/zinc/03/78/85/193037885.db2.gz DOLSYDGKNCJQRY-NSHDSACASA-N 2 2 300.200 1.084 10 0 DDAELP NC(=O)C[N@H+](C[C@@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267664 193183183 /nfs/dbraw/zinc/18/31/83/193183183.db2.gz WCAJTPFGQOBRLB-AWEZNQCLSA-N 2 2 305.447 1.243 10 0 DDAELP NC(=O)C[N@@H+](C[C@@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267664 193183185 /nfs/dbraw/zinc/18/31/85/193183185.db2.gz WCAJTPFGQOBRLB-AWEZNQCLSA-N 2 2 305.447 1.243 10 0 DDAELP C[N@H+](CC(=O)NC(=O)c1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093874494 193322415 /nfs/dbraw/zinc/32/24/15/193322415.db2.gz LIOYDIRFCKUZDP-UHFFFAOYSA-N 2 2 311.813 1.513 10 0 DDAELP C[N@@H+](CC(=O)NC(=O)c1ccc(Cl)cc1)CC(C)(C)C[NH3+] ZINC000093874494 193322416 /nfs/dbraw/zinc/32/24/16/193322416.db2.gz LIOYDIRFCKUZDP-UHFFFAOYSA-N 2 2 311.813 1.513 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093925691 193328469 /nfs/dbraw/zinc/32/84/69/193328469.db2.gz VMZWNRFLOXSCQI-FZMZJTMJSA-N 2 2 314.861 1.615 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093925691 193328471 /nfs/dbraw/zinc/32/84/71/193328471.db2.gz VMZWNRFLOXSCQI-FZMZJTMJSA-N 2 2 314.861 1.615 10 0 DDAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000040508030 183085469 /nfs/dbraw/zinc/08/54/69/183085469.db2.gz ZXNUQRQBFDGCIT-GFCCVEGCSA-N 2 2 313.854 1.798 10 0 DDAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000040508030 183085470 /nfs/dbraw/zinc/08/54/70/183085470.db2.gz ZXNUQRQBFDGCIT-GFCCVEGCSA-N 2 2 313.854 1.798 10 0 DDAELP Cc1ccccc1[C@@H](NC(=O)CC[NH+](C)C)c1[nH+]ccn1C ZINC000041536419 183199786 /nfs/dbraw/zinc/19/97/86/183199786.db2.gz RJVKVYRXHHBPIA-MRXNPFEDSA-N 2 2 300.406 1.886 10 0 DDAELP COC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC(C)(C)O1 ZINC000284456824 218035540 /nfs/dbraw/zinc/03/55/40/218035540.db2.gz DNCQJXRVLBXIPL-HNNXBMFYSA-N 2 2 316.405 1.893 10 0 DDAELP COC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC(C)(C)O1 ZINC000284456824 218035542 /nfs/dbraw/zinc/03/55/42/218035542.db2.gz DNCQJXRVLBXIPL-HNNXBMFYSA-N 2 2 316.405 1.893 10 0 DDAELP C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000062324770 184230355 /nfs/dbraw/zinc/23/03/55/184230355.db2.gz OWVJLBFFENKPRU-NSHDSACASA-N 2 2 306.391 1.107 10 0 DDAELP C[NH2+]Cc1cnc(N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000062983178 184264018 /nfs/dbraw/zinc/26/40/18/184264018.db2.gz ZRQDFJIURQXFKF-ZDUSSCGKSA-N 2 2 310.829 1.365 10 0 DDAELP C[N@H+](CCC1OCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000124182957 407350786 /nfs/dbraw/zinc/35/07/86/407350786.db2.gz QXMJRFPAEVMAFF-UHFFFAOYSA-N 2 2 308.426 1.042 10 0 DDAELP C[N@@H+](CCC1OCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000124182957 407350788 /nfs/dbraw/zinc/35/07/88/407350788.db2.gz QXMJRFPAEVMAFF-UHFFFAOYSA-N 2 2 308.426 1.042 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(CCOC)no2)C1 ZINC000105897970 407357561 /nfs/dbraw/zinc/35/75/61/407357561.db2.gz SFDNDGKZWOFWSA-CYBMUJFWSA-N 2 2 319.409 1.855 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(CCOC)no2)C1 ZINC000105897970 407357562 /nfs/dbraw/zinc/35/75/62/407357562.db2.gz SFDNDGKZWOFWSA-CYBMUJFWSA-N 2 2 319.409 1.855 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nccs1 ZINC000178751622 407584395 /nfs/dbraw/zinc/58/43/95/407584395.db2.gz CEMBTPXSIZTWJA-GFCCVEGCSA-N 2 2 305.407 1.751 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nccs1 ZINC000178751622 407584403 /nfs/dbraw/zinc/58/44/03/407584403.db2.gz CEMBTPXSIZTWJA-GFCCVEGCSA-N 2 2 305.407 1.751 10 0 DDAELP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000171286383 407648844 /nfs/dbraw/zinc/64/88/44/407648844.db2.gz HYYLJYOAQSLRDT-KRWDZBQOSA-N 2 2 317.433 1.343 10 0 DDAELP Cc1cccn2c(CN3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c[nH+]c12 ZINC000245788127 408068929 /nfs/dbraw/zinc/06/89/29/408068929.db2.gz VOXCFQMRKMFKHI-GJZGRUSLSA-N 2 2 302.422 1.530 10 0 DDAELP Cc1cccn2c(CN3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c[nH+]c12 ZINC000245788127 408068931 /nfs/dbraw/zinc/06/89/31/408068931.db2.gz VOXCFQMRKMFKHI-GJZGRUSLSA-N 2 2 302.422 1.530 10 0 DDAELP C[C@H]1CCCN(c2cc(N3CCO[C@@H](C[NH+](C)C)C3)nc[nH+]2)C1 ZINC000246310049 408215357 /nfs/dbraw/zinc/21/53/57/408215357.db2.gz YGNODQGVYVNSIL-GJZGRUSLSA-N 2 2 319.453 1.480 10 0 DDAELP CN(CC[N@H+](C)Cc1ccc(F)cc1)CC[NH+]1CCOCC1 ZINC000159220408 408392081 /nfs/dbraw/zinc/39/20/81/408392081.db2.gz JKONLKQLZXABGX-UHFFFAOYSA-N 2 2 309.429 1.522 10 0 DDAELP CN(CC[N@@H+](C)Cc1ccc(F)cc1)CC[NH+]1CCOCC1 ZINC000159220408 408392087 /nfs/dbraw/zinc/39/20/87/408392087.db2.gz JKONLKQLZXABGX-UHFFFAOYSA-N 2 2 309.429 1.522 10 0 DDAELP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177760995 408703788 /nfs/dbraw/zinc/70/37/88/408703788.db2.gz AXCQAYXYCYYAKP-MRXNPFEDSA-N 2 2 304.438 1.995 10 0 DDAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)C)[C@@H](C)C1 ZINC000249472476 408730619 /nfs/dbraw/zinc/73/06/19/408730619.db2.gz UPPMVNVYAKZIPM-GJZGRUSLSA-N 2 2 324.473 1.481 10 0 DDAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)C)[C@@H](C)C1 ZINC000249472476 408730620 /nfs/dbraw/zinc/73/06/20/408730620.db2.gz UPPMVNVYAKZIPM-GJZGRUSLSA-N 2 2 324.473 1.481 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000249042421 408681212 /nfs/dbraw/zinc/68/12/12/408681212.db2.gz VEPSMRLGHYUILY-KYJSFNMBSA-N 2 2 319.449 1.164 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000249042421 408681216 /nfs/dbraw/zinc/68/12/16/408681216.db2.gz VEPSMRLGHYUILY-KYJSFNMBSA-N 2 2 319.449 1.164 10 0 DDAELP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857031 408769889 /nfs/dbraw/zinc/76/98/89/408769889.db2.gz DPSYGPSBUPDVFY-GJZGRUSLSA-N 2 2 304.438 1.976 10 0 DDAELP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857031 408769892 /nfs/dbraw/zinc/76/98/92/408769892.db2.gz DPSYGPSBUPDVFY-GJZGRUSLSA-N 2 2 304.438 1.976 10 0 DDAELP C[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638447267 422914040 /nfs/dbraw/zinc/91/40/40/422914040.db2.gz AVZHQPDYOLDSEF-ZFWWWQNUSA-N 2 2 323.387 1.717 10 0 DDAELP C[C@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000638447267 422914043 /nfs/dbraw/zinc/91/40/43/422914043.db2.gz AVZHQPDYOLDSEF-ZFWWWQNUSA-N 2 2 323.387 1.717 10 0 DDAELP CCOC(=O)C1CCC(O)(C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000191013796 222094380 /nfs/dbraw/zinc/09/43/80/222094380.db2.gz FKULXZGPZRZUJN-UHFFFAOYSA-N 2 2 323.437 1.689 10 0 DDAELP CCOC(=O)C1CCC(O)(C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000191013796 222094383 /nfs/dbraw/zinc/09/43/83/222094383.db2.gz FKULXZGPZRZUJN-UHFFFAOYSA-N 2 2 323.437 1.689 10 0 DDAELP C[C@@H]1[C@H]([NH2+]CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000390723751 418755359 /nfs/dbraw/zinc/75/53/59/418755359.db2.gz PKZHSPYABZKKJY-NVXWUHKLSA-N 2 2 304.434 1.781 10 0 DDAELP C[C@@H]1[C@H]([NH2+]CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000390723751 418755360 /nfs/dbraw/zinc/75/53/60/418755360.db2.gz PKZHSPYABZKKJY-NVXWUHKLSA-N 2 2 304.434 1.781 10 0 DDAELP Cc1nc(N2CC[C@@H]([NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000302089337 293404681 /nfs/dbraw/zinc/40/46/81/293404681.db2.gz LMXDARDAEQJXQV-CQSZACIVSA-N 2 2 302.422 1.575 10 0 DDAELP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263108982 295621389 /nfs/dbraw/zinc/62/13/89/295621389.db2.gz ACZMTSTVDZSKGI-ZDUSSCGKSA-N 2 2 301.381 1.507 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000262114689 484262282 /nfs/dbraw/zinc/26/22/82/484262282.db2.gz LBLKMBJUNAIJKU-CABZTGNLSA-N 2 2 319.630 1.772 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@@H]1C ZINC000248874209 698382287 /nfs/dbraw/zinc/38/22/87/698382287.db2.gz IVDHWDHHGYRPMF-YOEHRIQHSA-N 2 2 305.422 1.040 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@@H]1C ZINC000248874209 698382292 /nfs/dbraw/zinc/38/22/92/698382292.db2.gz IVDHWDHHGYRPMF-YOEHRIQHSA-N 2 2 305.422 1.040 10 0 DDAELP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662990 282097623 /nfs/dbraw/zinc/09/76/23/282097623.db2.gz YZWUJWMRSCEBSB-RDJZCZTQSA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662990 282097627 /nfs/dbraw/zinc/09/76/27/282097627.db2.gz YZWUJWMRSCEBSB-RDJZCZTQSA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662990 282097628 /nfs/dbraw/zinc/09/76/28/282097628.db2.gz YZWUJWMRSCEBSB-RDJZCZTQSA-N 2 2 318.465 1.750 10 0 DDAELP CC[C@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662990 282097632 /nfs/dbraw/zinc/09/76/32/282097632.db2.gz YZWUJWMRSCEBSB-RDJZCZTQSA-N 2 2 318.465 1.750 10 0 DDAELP Cc1nnc(SCc2cn3cc(C)ccc3[nH+]2)n1CC[NH3+] ZINC000087711551 185230938 /nfs/dbraw/zinc/23/09/38/185230938.db2.gz MVQKPBRPBGCNGX-UHFFFAOYSA-N 2 2 302.407 1.794 10 0 DDAELP C[NH2+][C@H]1COC[C@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000090438666 185296586 /nfs/dbraw/zinc/29/65/86/185296586.db2.gz UOLCWPNBFIHRNT-HIFRSBDPSA-N 2 2 309.841 1.696 10 0 DDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899791 198004439 /nfs/dbraw/zinc/00/44/39/198004439.db2.gz IZUNRBFSAWCJFK-HNNXBMFYSA-N 2 2 313.405 1.366 10 0 DDAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171899791 198004441 /nfs/dbraw/zinc/00/44/41/198004441.db2.gz IZUNRBFSAWCJFK-HNNXBMFYSA-N 2 2 313.405 1.366 10 0 DDAELP CC[C@H](O)C[NH+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000174087758 198290609 /nfs/dbraw/zinc/29/06/09/198290609.db2.gz QCQGXIMPZCVSBA-INIZCTEOSA-N 2 2 302.422 1.531 10 0 DDAELP C[N@@H+]1CCO[C@@H](COc2ccc(Br)cc2C[NH3+])C1 ZINC000092053992 193149755 /nfs/dbraw/zinc/14/97/55/193149755.db2.gz OMLTVWZAFYVZIE-GFCCVEGCSA-N 2 2 315.211 1.617 10 0 DDAELP C[N@H+]1CCO[C@@H](COc2ccc(Br)cc2C[NH3+])C1 ZINC000092053992 193149756 /nfs/dbraw/zinc/14/97/56/193149756.db2.gz OMLTVWZAFYVZIE-GFCCVEGCSA-N 2 2 315.211 1.617 10 0 DDAELP CC(C)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758291 248199021 /nfs/dbraw/zinc/19/90/21/248199021.db2.gz MGKZTRJVVSWXMS-CQSZACIVSA-N 2 2 310.486 1.889 10 0 DDAELP C[C@@H](Cn1cc[nH+]c1)Nc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061539317 184173805 /nfs/dbraw/zinc/17/38/05/184173805.db2.gz ZSWGMCWAXIEHFB-VIFPVBQESA-N 2 2 304.745 1.408 10 0 DDAELP C[NH2+]Cc1nc(N2CC[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000062983170 184264387 /nfs/dbraw/zinc/26/43/87/184264387.db2.gz SPXIPYYFPRUDBK-LBPRGKRZSA-N 2 2 310.829 1.365 10 0 DDAELP [NH3+]C[C@H](c1ccccc1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977951 184264417 /nfs/dbraw/zinc/26/44/17/184264417.db2.gz SBYDCJMUHCOJMD-XJKSGUPXSA-N 2 2 309.841 1.746 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000121810469 195353397 /nfs/dbraw/zinc/35/33/97/195353397.db2.gz DMPBIQNFVXKZOA-CABCVRRESA-N 2 2 307.442 1.643 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000121810469 195353400 /nfs/dbraw/zinc/35/34/00/195353400.db2.gz DMPBIQNFVXKZOA-CABCVRRESA-N 2 2 307.442 1.643 10 0 DDAELP C[NH+](C)C[C@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480311 407582657 /nfs/dbraw/zinc/58/26/57/407582657.db2.gz DHEFQRREMAUHFQ-FBLDJFESSA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480311 407582664 /nfs/dbraw/zinc/58/26/64/407582664.db2.gz DHEFQRREMAUHFQ-FBLDJFESSA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480311 407582672 /nfs/dbraw/zinc/58/26/72/407582672.db2.gz DHEFQRREMAUHFQ-FBLDJFESSA-N 4 2 308.514 1.310 10 0 DDAELP C[NH+](C)C[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480311 407582676 /nfs/dbraw/zinc/58/26/76/407582676.db2.gz DHEFQRREMAUHFQ-FBLDJFESSA-N 4 2 308.514 1.310 10 0 DDAELP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000178776613 407599310 /nfs/dbraw/zinc/59/93/10/407599310.db2.gz WJSVUNZZYVYPBT-JKSUJKDBSA-N 2 2 305.422 1.256 10 0 DDAELP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000178776613 407599314 /nfs/dbraw/zinc/59/93/14/407599314.db2.gz WJSVUNZZYVYPBT-JKSUJKDBSA-N 2 2 305.422 1.256 10 0 DDAELP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000262007106 407706583 /nfs/dbraw/zinc/70/65/83/407706583.db2.gz VFHQRIDOPCCRRX-BRWVUGGUSA-N 3 2 318.465 1.509 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000171614704 407718835 /nfs/dbraw/zinc/71/88/35/407718835.db2.gz FZTFFVPIXAMFIR-GFCCVEGCSA-N 2 2 307.398 1.058 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000171614704 407718842 /nfs/dbraw/zinc/71/88/42/407718842.db2.gz FZTFFVPIXAMFIR-GFCCVEGCSA-N 2 2 307.398 1.058 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134583 407747550 /nfs/dbraw/zinc/74/75/50/407747550.db2.gz YNUNNMXOYYOLBX-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134583 407747560 /nfs/dbraw/zinc/74/75/60/407747560.db2.gz YNUNNMXOYYOLBX-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134583 407747568 /nfs/dbraw/zinc/74/75/68/407747568.db2.gz YNUNNMXOYYOLBX-ROUUACIJSA-N 3 2 302.466 1.835 10 0 DDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246414464 408248727 /nfs/dbraw/zinc/24/87/27/408248727.db2.gz BTJQVQQFAXYRNT-ZNMIVQPWSA-N 2 2 302.422 1.531 10 0 DDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246414464 408248735 /nfs/dbraw/zinc/24/87/35/408248735.db2.gz BTJQVQQFAXYRNT-ZNMIVQPWSA-N 2 2 302.422 1.531 10 0 DDAELP C[C@H]1CC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)O1 ZINC000151175245 408270843 /nfs/dbraw/zinc/27/08/43/408270843.db2.gz PGWKQESCVLFOJI-XJKSGUPXSA-N 2 2 309.454 1.229 10 0 DDAELP C[C@H]1CCCN(c2cc(N3CCO[C@H](C[NH+](C)C)C3)nc[nH+]2)C1 ZINC000170999899 162202138 /nfs/dbraw/zinc/20/21/38/162202138.db2.gz YGNODQGVYVNSIL-LSDHHAIUSA-N 2 2 319.453 1.480 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000178328035 408806565 /nfs/dbraw/zinc/80/65/65/408806565.db2.gz PQENNKBILUNHRO-CVEARBPZSA-N 2 2 319.405 1.827 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC000178328035 408806569 /nfs/dbraw/zinc/80/65/69/408806569.db2.gz PQENNKBILUNHRO-CVEARBPZSA-N 2 2 319.405 1.827 10 0 DDAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515615 163326457 /nfs/dbraw/zinc/32/64/57/163326457.db2.gz XTSOPNMWWLQYHJ-CYBMUJFWSA-N 2 2 319.409 1.051 10 0 DDAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515615 163326460 /nfs/dbraw/zinc/32/64/60/163326460.db2.gz XTSOPNMWWLQYHJ-CYBMUJFWSA-N 2 2 319.409 1.051 10 0 DDAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000249157465 163631024 /nfs/dbraw/zinc/63/10/24/163631024.db2.gz XMQFGTNUSVZIFF-MCIONIFRSA-N 2 2 305.426 1.502 10 0 DDAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648811 422533173 /nfs/dbraw/zinc/53/31/73/422533173.db2.gz ZLGOOXONHCEBOY-MOPGFXCFSA-N 3 2 317.477 1.507 10 0 DDAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648811 422533179 /nfs/dbraw/zinc/53/31/79/422533179.db2.gz ZLGOOXONHCEBOY-MOPGFXCFSA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648811 422533182 /nfs/dbraw/zinc/53/31/82/422533182.db2.gz ZLGOOXONHCEBOY-MOPGFXCFSA-N 3 2 317.477 1.507 10 0 DDAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648811 422533187 /nfs/dbraw/zinc/53/31/87/422533187.db2.gz ZLGOOXONHCEBOY-MOPGFXCFSA-N 3 2 317.477 1.507 10 0 DDAELP COCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000181956800 263371832 /nfs/dbraw/zinc/37/18/32/263371832.db2.gz OSASXUANUTYMPF-WCQYABFASA-N 2 2 305.382 1.947 10 0 DDAELP COCc1noc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000181956800 263371835 /nfs/dbraw/zinc/37/18/35/263371835.db2.gz OSASXUANUTYMPF-WCQYABFASA-N 2 2 305.382 1.947 10 0 DDAELP CCc1noc([C@@]2(O)CC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000377834328 302240423 /nfs/dbraw/zinc/24/04/23/302240423.db2.gz KQHHRABMEBGKRI-MRXNPFEDSA-N 2 2 313.361 1.373 10 0 DDAELP CCc1noc([C@@]2(O)CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000377834328 302240425 /nfs/dbraw/zinc/24/04/25/302240425.db2.gz KQHHRABMEBGKRI-MRXNPFEDSA-N 2 2 313.361 1.373 10 0 DDAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479291 302369954 /nfs/dbraw/zinc/36/99/54/302369954.db2.gz VUFDNEPJEVQYGD-UHOSZYNNSA-N 3 2 317.477 1.865 10 0 DDAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479291 302369955 /nfs/dbraw/zinc/36/99/55/302369955.db2.gz VUFDNEPJEVQYGD-UHOSZYNNSA-N 3 2 317.477 1.865 10 0 DDAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000262741806 698479438 /nfs/dbraw/zinc/47/94/38/698479438.db2.gz DTUWAOQGSZGSHE-NOZJJQNGSA-N 2 2 302.382 1.242 10 0 DDAELP CCC[NH+]1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087864250 185233912 /nfs/dbraw/zinc/23/39/12/185233912.db2.gz AOVOKITVRJOGCW-UHFFFAOYSA-N 2 2 315.219 1.057 10 0 DDAELP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1CCOC ZINC000180087125 199116090 /nfs/dbraw/zinc/11/60/90/199116090.db2.gz XIUJWWCWVXBAHP-HNNXBMFYSA-N 2 2 302.422 1.877 10 0 DDAELP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1CCOC ZINC000180087125 199116092 /nfs/dbraw/zinc/11/60/92/199116092.db2.gz XIUJWWCWVXBAHP-HNNXBMFYSA-N 2 2 302.422 1.877 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000195256964 201367452 /nfs/dbraw/zinc/36/74/52/201367452.db2.gz GTPBIHWLUAGSIZ-AWEZNQCLSA-N 2 2 324.494 1.730 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC000195256964 201367455 /nfs/dbraw/zinc/36/74/55/201367455.db2.gz GTPBIHWLUAGSIZ-AWEZNQCLSA-N 2 2 324.494 1.730 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000195256964 201367459 /nfs/dbraw/zinc/36/74/59/201367459.db2.gz GTPBIHWLUAGSIZ-AWEZNQCLSA-N 2 2 324.494 1.730 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC000195256964 201367462 /nfs/dbraw/zinc/36/74/62/201367462.db2.gz GTPBIHWLUAGSIZ-AWEZNQCLSA-N 2 2 324.494 1.730 10 0 DDAELP CN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195284027 201372716 /nfs/dbraw/zinc/37/27/16/201372716.db2.gz NUCUHJKFOPKJEU-HZPDHXFCSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195284027 201372720 /nfs/dbraw/zinc/37/27/20/201372720.db2.gz NUCUHJKFOPKJEU-HZPDHXFCSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195284027 201372725 /nfs/dbraw/zinc/37/27/25/201372725.db2.gz NUCUHJKFOPKJEU-HZPDHXFCSA-N 2 2 302.422 1.066 10 0 DDAELP CN1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000195284027 201372729 /nfs/dbraw/zinc/37/27/29/201372729.db2.gz NUCUHJKFOPKJEU-HZPDHXFCSA-N 2 2 302.422 1.066 10 0 DDAELP [NH3+]Cc1nc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cs1 ZINC000091685759 193091510 /nfs/dbraw/zinc/09/15/10/193091510.db2.gz SHRXTRVCKVJWCE-PSASIEDQSA-N 2 2 307.379 1.188 10 0 DDAELP [NH3+]Cc1nc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cs1 ZINC000091685759 193091511 /nfs/dbraw/zinc/09/15/11/193091511.db2.gz SHRXTRVCKVJWCE-PSASIEDQSA-N 2 2 307.379 1.188 10 0 DDAELP CC[N@@H+]1CCO[C@@H](c2noc(-c3sc(C[NH3+])nc3C)n2)C1 ZINC000093897123 193324948 /nfs/dbraw/zinc/32/49/48/193324948.db2.gz SOEVOWSAVSKUMM-SECBINFHSA-N 2 2 309.395 1.353 10 0 DDAELP CC[N@H+]1CCO[C@@H](c2noc(-c3sc(C[NH3+])nc3C)n2)C1 ZINC000093897123 193324950 /nfs/dbraw/zinc/32/49/50/193324950.db2.gz SOEVOWSAVSKUMM-SECBINFHSA-N 2 2 309.395 1.353 10 0 DDAELP CC[N@@H+]1CCO[C@@H](COc2c(F)cc(C[NH2+]C)cc2F)C1 ZINC000094346734 193363288 /nfs/dbraw/zinc/36/32/88/193363288.db2.gz JTCMYSUTIQCOIA-GFCCVEGCSA-N 2 2 300.349 1.784 10 0 DDAELP CC[N@H+]1CCO[C@@H](COc2c(F)cc(C[NH2+]C)cc2F)C1 ZINC000094346734 193363289 /nfs/dbraw/zinc/36/32/89/193363289.db2.gz JTCMYSUTIQCOIA-GFCCVEGCSA-N 2 2 300.349 1.784 10 0 DDAELP [NH3+]Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000094441203 193370187 /nfs/dbraw/zinc/37/01/87/193370187.db2.gz OIZOPIXJBJTUJF-LLVKDONJSA-N 2 2 315.464 1.066 10 0 DDAELP [NH3+]Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC000094441203 193370189 /nfs/dbraw/zinc/37/01/89/193370189.db2.gz OIZOPIXJBJTUJF-LLVKDONJSA-N 2 2 315.464 1.066 10 0 DDAELP [NH3+][C@H](Cc1cccc(Br)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094508191 193376178 /nfs/dbraw/zinc/37/61/78/193376178.db2.gz GBGNROHECRVNHT-ZIAGYGMSSA-N 2 2 310.239 1.319 10 0 DDAELP [NH3+][C@H](Cc1ccc(Br)cc1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508361 193376181 /nfs/dbraw/zinc/37/61/81/193376181.db2.gz BYRXITAMPNIAJR-KGLIPLIRSA-N 2 2 310.239 1.319 10 0 DDAELP COc1nccnc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000333600071 249036635 /nfs/dbraw/zinc/03/66/35/249036635.db2.gz VANJRGWRLHSYMA-ZDUSSCGKSA-N 2 2 301.394 1.673 10 0 DDAELP COc1nccnc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000333600071 249036637 /nfs/dbraw/zinc/03/66/37/249036637.db2.gz VANJRGWRLHSYMA-ZDUSSCGKSA-N 2 2 301.394 1.673 10 0 DDAELP CCc1ccc([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062978692 184264000 /nfs/dbraw/zinc/26/40/00/184264000.db2.gz BBLNQCLECQYHGW-DZGCQCFKSA-N 2 2 309.479 1.717 10 0 DDAELP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262433272 286776797 /nfs/dbraw/zinc/77/67/97/286776797.db2.gz UAURGXPQAQVYAL-RHSMWYFYSA-N 2 2 317.433 1.032 10 0 DDAELP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cn1 ZINC000105830777 407355761 /nfs/dbraw/zinc/35/57/61/407355761.db2.gz UKABTKXKIRURCJ-UHFFFAOYSA-N 2 2 321.469 1.278 10 0 DDAELP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cn1 ZINC000105830777 407355764 /nfs/dbraw/zinc/35/57/64/407355764.db2.gz UKABTKXKIRURCJ-UHFFFAOYSA-N 2 2 321.469 1.278 10 0 DDAELP CCn1cc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cn1 ZINC000105830777 407355765 /nfs/dbraw/zinc/35/57/65/407355765.db2.gz UKABTKXKIRURCJ-UHFFFAOYSA-N 2 2 321.469 1.278 10 0 DDAELP C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000170829327 407521917 /nfs/dbraw/zinc/52/19/17/407521917.db2.gz ACVYLNSJYOGBCD-CQSZACIVSA-N 2 2 314.393 1.113 10 0 DDAELP Cc1nn(C)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000261580018 407545364 /nfs/dbraw/zinc/54/53/64/407545364.db2.gz PWOWOQIJUXBUGY-GARJFASQSA-N 2 2 313.243 1.660 10 0 DDAELP Cc1nn(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Br ZINC000261580018 407545369 /nfs/dbraw/zinc/54/53/69/407545369.db2.gz PWOWOQIJUXBUGY-GARJFASQSA-N 2 2 313.243 1.660 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778094 407614372 /nfs/dbraw/zinc/61/43/72/407614372.db2.gz FGVRJVQZZSEDTJ-ZWKOTPCHSA-N 3 2 302.466 1.835 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778094 407614375 /nfs/dbraw/zinc/61/43/75/407614375.db2.gz FGVRJVQZZSEDTJ-ZWKOTPCHSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778094 407614379 /nfs/dbraw/zinc/61/43/79/407614379.db2.gz FGVRJVQZZSEDTJ-ZWKOTPCHSA-N 3 2 302.466 1.835 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261778094 407614381 /nfs/dbraw/zinc/61/43/81/407614381.db2.gz FGVRJVQZZSEDTJ-ZWKOTPCHSA-N 3 2 302.466 1.835 10 0 DDAELP [NH3+][C@@H]1CC[C@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000178853383 407628322 /nfs/dbraw/zinc/62/83/22/407628322.db2.gz VMRCJCHVDFQTNF-JKSUJKDBSA-N 2 2 312.417 1.869 10 0 DDAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)s1 ZINC000178884008 407638601 /nfs/dbraw/zinc/63/86/01/407638601.db2.gz DAPOEQTYWWYOJQ-CYBMUJFWSA-N 2 2 308.451 1.238 10 0 DDAELP C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000261989025 407703620 /nfs/dbraw/zinc/70/36/20/407703620.db2.gz BEZTWENLJPPLKL-QGZVFWFLSA-N 2 2 301.434 1.645 10 0 DDAELP C[N@@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000261989025 407703622 /nfs/dbraw/zinc/70/36/22/407703622.db2.gz BEZTWENLJPPLKL-QGZVFWFLSA-N 2 2 301.434 1.645 10 0 DDAELP [NH3+]Cc1nc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)no1 ZINC000262231088 407769267 /nfs/dbraw/zinc/76/92/67/407769267.db2.gz NYXWOKMRCFGYSQ-UHFFFAOYSA-N 2 2 321.812 1.500 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262416716 407828273 /nfs/dbraw/zinc/82/82/73/407828273.db2.gz DPMMVVOLKNCSIS-CWRNSKLLSA-N 2 2 323.462 1.106 10 0 DDAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000262416716 407828282 /nfs/dbraw/zinc/82/82/82/407828282.db2.gz DPMMVVOLKNCSIS-CWRNSKLLSA-N 2 2 323.462 1.106 10 0 DDAELP COc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262501538 407850489 /nfs/dbraw/zinc/85/04/89/407850489.db2.gz MCPCDOWDUKLBJE-OAHLLOKOSA-N 2 2 305.422 1.385 10 0 DDAELP COc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262501538 407850497 /nfs/dbraw/zinc/85/04/97/407850497.db2.gz MCPCDOWDUKLBJE-OAHLLOKOSA-N 2 2 305.422 1.385 10 0 DDAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263097193 408023869 /nfs/dbraw/zinc/02/38/69/408023869.db2.gz YYXWEKVNRKUHTE-VHDGCEQUSA-N 2 2 323.387 1.935 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000263243081 408073901 /nfs/dbraw/zinc/07/39/01/408073901.db2.gz OWOJTHRJZCTBQZ-SMDDNHRTSA-N 2 2 307.394 1.619 10 0 DDAELP Cc1n[nH]cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121238892 408168529 /nfs/dbraw/zinc/16/85/29/408168529.db2.gz MXZLZAXLWIGHGG-UHFFFAOYSA-N 2 2 302.426 1.511 10 0 DDAELP Cc1n[nH]cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121238892 408168536 /nfs/dbraw/zinc/16/85/36/408168536.db2.gz MXZLZAXLWIGHGG-UHFFFAOYSA-N 2 2 302.426 1.511 10 0 DDAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014437 163001939 /nfs/dbraw/zinc/00/19/39/163001939.db2.gz UPPMVNVYAKZIPM-HUUCEWRRSA-N 2 2 324.473 1.481 10 0 DDAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014437 163001941 /nfs/dbraw/zinc/00/19/41/163001941.db2.gz UPPMVNVYAKZIPM-HUUCEWRRSA-N 2 2 324.473 1.481 10 0 DDAELP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328645654 418607443 /nfs/dbraw/zinc/60/74/43/418607443.db2.gz SFQSFZUAZNTLLU-LLVKDONJSA-N 2 2 304.423 1.982 10 0 DDAELP Nc1ccc(N[C@@H]2CCC[N@@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328645654 418607445 /nfs/dbraw/zinc/60/74/45/418607445.db2.gz SFQSFZUAZNTLLU-LLVKDONJSA-N 2 2 304.423 1.982 10 0 DDAELP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[C@H]([NH3+])C2)no1 ZINC000237061940 289226924 /nfs/dbraw/zinc/22/69/24/289226924.db2.gz ZNVALNWKLWAMOX-QWRGUYRKSA-N 2 2 309.414 1.000 10 0 DDAELP Cc1nc(N2CCC([N@H+](C)CCO)CC2)c2c([nH+]1)CCCC2 ZINC000302072257 534621238 /nfs/dbraw/zinc/62/12/38/534621238.db2.gz ZEWWRPAFOKFFIM-UHFFFAOYSA-N 2 2 304.438 1.557 10 0 DDAELP Cc1nc(N2CCC([N@@H+](C)CCO)CC2)c2c([nH+]1)CCCC2 ZINC000302072257 534621242 /nfs/dbraw/zinc/62/12/42/534621242.db2.gz ZEWWRPAFOKFFIM-UHFFFAOYSA-N 2 2 304.438 1.557 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(F)nc2)nc[nH+]1 ZINC000189069484 697570638 /nfs/dbraw/zinc/57/06/38/697570638.db2.gz CWJMWAOJQNSVCV-ZDUSSCGKSA-N 2 2 316.384 1.811 10 0 DDAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC000886082583 708694930 /nfs/dbraw/zinc/69/49/30/708694930.db2.gz ROQYNVXYZIQQAE-KFWWJZLASA-N 2 2 312.845 1.768 10 0 DDAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc(Cl)cn2)C1 ZINC000886082583 708694931 /nfs/dbraw/zinc/69/49/31/708694931.db2.gz ROQYNVXYZIQQAE-KFWWJZLASA-N 2 2 312.845 1.768 10 0 DDAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000180088838 539235390 /nfs/dbraw/zinc/23/53/90/539235390.db2.gz WURSGOMFUCXUTQ-GUYCJALGSA-N 2 2 314.433 1.788 10 0 DDAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000180088838 539235391 /nfs/dbraw/zinc/23/53/91/539235391.db2.gz WURSGOMFUCXUTQ-GUYCJALGSA-N 2 2 314.433 1.788 10 0 DDAELP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2n2cc[nH+]c2)o1 ZINC000088539143 185255403 /nfs/dbraw/zinc/25/54/03/185255403.db2.gz RDJLYOCGMGMHMM-RYUDHWBXSA-N 2 2 310.379 1.007 10 0 DDAELP C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659134 199192120 /nfs/dbraw/zinc/19/21/20/199192120.db2.gz GYNILBCZOHYHHG-AWEZNQCLSA-N 2 2 314.389 1.382 10 0 DDAELP CCCCOC[C@@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000193378043 201040387 /nfs/dbraw/zinc/04/03/87/201040387.db2.gz CFBYVLOJFZQCAT-HNNXBMFYSA-N 2 2 323.437 1.390 10 0 DDAELP Cc1cc(C[NH+]2CCN(C3C[NH2+]C3)CC2)ccc1Br ZINC000091472212 193061365 /nfs/dbraw/zinc/06/13/65/193061365.db2.gz SDSRWHSYFPHJNL-UHFFFAOYSA-N 2 2 324.266 1.847 10 0 DDAELP C[NH2+][C@H](CCCS(C)(=O)=O)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652871 193084727 /nfs/dbraw/zinc/08/47/27/193084727.db2.gz NHULIWCPWRGFAS-RBSFLKMASA-N 2 2 304.500 1.910 10 0 DDAELP C[NH+]1CCC([NH2+]Cc2cnc3cnc(Br)cn23)CC1 ZINC000092049228 193148098 /nfs/dbraw/zinc/14/80/98/193148098.db2.gz JKRGYRORHWNTCD-UHFFFAOYSA-N 2 2 324.226 1.676 10 0 DDAELP CN(C)S(=O)(=O)c1ccc(-c2c[nH]c(CCC[NH3+])[nH+]2)cc1 ZINC000044493875 183414166 /nfs/dbraw/zinc/41/41/66/183414166.db2.gz PNQFCEFEBCOKFH-UHFFFAOYSA-N 2 2 308.407 1.218 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000106124094 194188028 /nfs/dbraw/zinc/18/80/28/194188028.db2.gz VAKJNTOBQRFRMP-IBGZPJMESA-N 2 2 317.477 1.913 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000106124094 194188029 /nfs/dbraw/zinc/18/80/29/194188029.db2.gz VAKJNTOBQRFRMP-IBGZPJMESA-N 2 2 317.477 1.913 10 0 DDAELP CCC[NH2+][C@@](C)(CCN(C)CCC[NH+](C)C)C(=O)OCC ZINC000111145349 194395304 /nfs/dbraw/zinc/39/53/04/194395304.db2.gz IXJWTECBZJHDRN-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccccn1 ZINC000248051693 257110049 /nfs/dbraw/zinc/11/00/49/257110049.db2.gz XPSJVVLFIAESIP-CGTJXYLNSA-N 2 2 319.449 1.639 10 0 DDAELP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccccn1 ZINC000248051693 257110051 /nfs/dbraw/zinc/11/00/51/257110051.db2.gz XPSJVVLFIAESIP-CGTJXYLNSA-N 2 2 319.449 1.639 10 0 DDAELP CC(C)[N@H+]1C[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000121810615 195352504 /nfs/dbraw/zinc/35/25/04/195352504.db2.gz DMPBIQNFVXKZOA-GJZGRUSLSA-N 2 2 307.442 1.643 10 0 DDAELP CC(C)[N@@H+]1C[C@H](NC(=O)N(C)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000121810615 195352507 /nfs/dbraw/zinc/35/25/07/195352507.db2.gz DMPBIQNFVXKZOA-GJZGRUSLSA-N 2 2 307.442 1.643 10 0 DDAELP [NH3+][C@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCOCC1 ZINC000261764106 407606847 /nfs/dbraw/zinc/60/68/47/407606847.db2.gz LXRPVENFFVUJNX-AWEZNQCLSA-N 2 2 322.796 1.358 10 0 DDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000115389795 407676777 /nfs/dbraw/zinc/67/67/77/407676777.db2.gz HHLQLJRVZKJGNL-UHFFFAOYSA-N 2 2 321.469 1.021 10 0 DDAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000115389795 407676782 /nfs/dbraw/zinc/67/67/82/407676782.db2.gz HHLQLJRVZKJGNL-UHFFFAOYSA-N 2 2 321.469 1.021 10 0 DDAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(C3CC3)n2)CC1 ZINC000171589204 407710466 /nfs/dbraw/zinc/71/04/66/407710466.db2.gz VLUWJSAKYFKCBC-GFCCVEGCSA-N 2 2 308.426 1.472 10 0 DDAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(C3CC3)n2)CC1 ZINC000171589204 407710472 /nfs/dbraw/zinc/71/04/72/407710472.db2.gz VLUWJSAKYFKCBC-GFCCVEGCSA-N 2 2 308.426 1.472 10 0 DDAELP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000153023670 407737538 /nfs/dbraw/zinc/73/75/38/407737538.db2.gz NZZKVQIBIMDEMX-AWEZNQCLSA-N 2 2 319.380 1.787 10 0 DDAELP C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)[C@@H]1CCC[NH2+]CC1 ZINC000262557956 407865161 /nfs/dbraw/zinc/86/51/61/407865161.db2.gz UPJKFGDJPKTVKW-GFCCVEGCSA-N 2 2 308.426 1.985 10 0 DDAELP C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)[C@@H]1CCC[NH2+]CC1 ZINC000262557956 407865166 /nfs/dbraw/zinc/86/51/66/407865166.db2.gz UPJKFGDJPKTVKW-GFCCVEGCSA-N 2 2 308.426 1.985 10 0 DDAELP Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc[nH+]1 ZINC000119343331 408046019 /nfs/dbraw/zinc/04/60/19/408046019.db2.gz NQSXOYOIGZLPAS-WFASDCNBSA-N 2 2 304.394 1.574 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263270683 408085273 /nfs/dbraw/zinc/08/52/73/408085273.db2.gz SDOLIRQLIJMZRY-RHSMWYFYSA-N 3 2 323.868 1.474 10 0 DDAELP C[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245956245 408108186 /nfs/dbraw/zinc/10/81/86/408108186.db2.gz WNBLJPZBEJBDIU-JDOFQRQTSA-N 2 2 306.454 1.347 10 0 DDAELP C[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245956245 408108190 /nfs/dbraw/zinc/10/81/90/408108190.db2.gz WNBLJPZBEJBDIU-JDOFQRQTSA-N 2 2 306.454 1.347 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCSC2)nc[nH+]1 ZINC000183596806 408448960 /nfs/dbraw/zinc/44/89/60/408448960.db2.gz OGDGDFCCLAHRLI-OLZOCXBDSA-N 2 2 307.467 1.972 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCC(F)(F)F ZINC000247187074 408423494 /nfs/dbraw/zinc/42/34/94/408423494.db2.gz WFRHHHJOQYXDPT-ZYHUDNBSSA-N 2 2 318.343 1.723 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCC(F)(F)F ZINC000247187074 408423496 /nfs/dbraw/zinc/42/34/96/408423496.db2.gz WFRHHHJOQYXDPT-ZYHUDNBSSA-N 2 2 318.343 1.723 10 0 DDAELP CCC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC000162029055 408662409 /nfs/dbraw/zinc/66/24/09/408662409.db2.gz VQCHWUSKEQYMCD-MRXNPFEDSA-N 2 2 321.469 1.185 10 0 DDAELP CCC[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC000162029055 408662414 /nfs/dbraw/zinc/66/24/14/408662414.db2.gz VQCHWUSKEQYMCD-MRXNPFEDSA-N 2 2 321.469 1.185 10 0 DDAELP CC[C@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000164151547 408794837 /nfs/dbraw/zinc/79/48/37/408794837.db2.gz LSXNCURRUONSEN-SJORKVTESA-N 2 2 319.449 1.204 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)c1nccs1 ZINC000178304312 408801525 /nfs/dbraw/zinc/80/15/25/408801525.db2.gz YGIITYSOKBDKCN-CYBMUJFWSA-N 2 2 319.434 1.775 10 0 DDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000178304312 408801528 /nfs/dbraw/zinc/80/15/28/408801528.db2.gz YGIITYSOKBDKCN-CYBMUJFWSA-N 2 2 319.434 1.775 10 0 DDAELP C[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000253359255 408813843 /nfs/dbraw/zinc/81/38/43/408813843.db2.gz KOQVSGPBWDHGQF-DLBZAZTESA-N 2 2 301.434 1.986 10 0 DDAELP C[NH+](C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000253359255 408813846 /nfs/dbraw/zinc/81/38/46/408813846.db2.gz KOQVSGPBWDHGQF-DLBZAZTESA-N 2 2 301.434 1.986 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cncnc2)CCC[NH+]1C ZINC000284893659 409367459 /nfs/dbraw/zinc/36/74/59/409367459.db2.gz RIVAJFKTEQIONG-DOTOQJQBSA-N 2 2 314.437 1.725 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cncnc2)CCC[NH+]1C ZINC000284893659 409367462 /nfs/dbraw/zinc/36/74/62/409367462.db2.gz RIVAJFKTEQIONG-DOTOQJQBSA-N 2 2 314.437 1.725 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cncnc2)CCC[N@@H+]1C ZINC000284893659 409367466 /nfs/dbraw/zinc/36/74/66/409367466.db2.gz RIVAJFKTEQIONG-DOTOQJQBSA-N 2 2 314.437 1.725 10 0 DDAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cncnc2)CCC[N@H+]1C ZINC000284893659 409367469 /nfs/dbraw/zinc/36/74/69/409367469.db2.gz RIVAJFKTEQIONG-DOTOQJQBSA-N 2 2 314.437 1.725 10 0 DDAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000089455603 484010432 /nfs/dbraw/zinc/01/04/32/484010432.db2.gz JMOJQYLXUFHHPM-CABCVRRESA-N 2 2 307.463 1.767 10 0 DDAELP Cc1nc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)c(Br)c(C)[nH+]1 ZINC000663240867 484762107 /nfs/dbraw/zinc/76/21/07/484762107.db2.gz DDYFOPAJZZLYBH-VHSXEESVSA-N 2 2 313.199 1.033 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000090326703 185291246 /nfs/dbraw/zinc/29/12/46/185291246.db2.gz USKKYUTZVVOCGS-BNOWGMLFSA-N 2 2 305.447 1.173 10 0 DDAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000090326703 185291247 /nfs/dbraw/zinc/29/12/47/185291247.db2.gz USKKYUTZVVOCGS-BNOWGMLFSA-N 2 2 305.447 1.173 10 0 DDAELP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000090566002 185304211 /nfs/dbraw/zinc/30/42/11/185304211.db2.gz CFYDGIWUHWXMGS-UONOGXRCSA-N 2 2 310.467 1.280 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000172059137 198033135 /nfs/dbraw/zinc/03/31/35/198033135.db2.gz MWNMXGGWVAODMU-UKRRQHHQSA-N 2 2 311.389 1.576 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000172059137 198033137 /nfs/dbraw/zinc/03/31/37/198033137.db2.gz MWNMXGGWVAODMU-UKRRQHHQSA-N 2 2 311.389 1.576 10 0 DDAELP C[NH+](C)[C@@H]1CCCN(c2cc(N[C@@H]3CCCOC3)[nH+]cn2)C1 ZINC000328621464 354548463 /nfs/dbraw/zinc/54/84/63/354548463.db2.gz AMVDCEHZCDCEIH-ZIAGYGMSSA-N 2 2 305.426 1.598 10 0 DDAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC(N)=O ZINC000180659891 199192694 /nfs/dbraw/zinc/19/26/94/199192694.db2.gz KIBFORAWDBCHOP-GHMZBOCLSA-N 2 2 301.350 1.106 10 0 DDAELP C[C@H]([C@H]1CC[C@H]([C@H](C)[NH+]2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000039372569 183016985 /nfs/dbraw/zinc/01/69/85/183016985.db2.gz VZXHPXABMPLTJH-QKPAOTATSA-N 2 2 310.438 1.023 10 0 DDAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096377 184205878 /nfs/dbraw/zinc/20/58/78/184205878.db2.gz MWFDHUDCBUBPNI-CABCVRRESA-N 2 2 317.499 1.122 10 0 DDAELP Nc1c(Br)cc(Br)cc1[C@@H]([NH3+])C[NH3+] ZINC000044470290 407024030 /nfs/dbraw/zinc/02/40/30/407024030.db2.gz JOEDYEITGMMYOI-ZETCQYMHSA-N 2 2 309.005 1.752 10 0 DDAELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000123564277 407332968 /nfs/dbraw/zinc/33/29/68/407332968.db2.gz XEIANNZPIUYWES-INIZCTEOSA-N 2 2 302.422 1.531 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262404213 407825810 /nfs/dbraw/zinc/82/58/10/407825810.db2.gz COTKYVRCMQUXEF-IHRRRGAJSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262404213 407825816 /nfs/dbraw/zinc/82/58/16/407825816.db2.gz COTKYVRCMQUXEF-IHRRRGAJSA-N 2 2 303.406 1.693 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000263243075 408073891 /nfs/dbraw/zinc/07/38/91/408073891.db2.gz OWOJTHRJZCTBQZ-BXUZGUMPSA-N 2 2 307.394 1.619 10 0 DDAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(Cl)c1OC ZINC000263319142 408105401 /nfs/dbraw/zinc/10/54/01/408105401.db2.gz ZYOCAWQLHQQDKO-QWRGUYRKSA-N 2 2 300.786 1.027 10 0 DDAELP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121351871 408189174 /nfs/dbraw/zinc/18/91/74/408189174.db2.gz OTNHWVOZIUNYMS-JKSUJKDBSA-N 2 2 323.481 1.430 10 0 DDAELP CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCC2 ZINC000121351871 408189181 /nfs/dbraw/zinc/18/91/81/408189181.db2.gz OTNHWVOZIUNYMS-JKSUJKDBSA-N 2 2 323.481 1.430 10 0 DDAELP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000171542851 162224057 /nfs/dbraw/zinc/22/40/57/162224057.db2.gz IOLKJCAKLQBYPT-HNNXBMFYSA-N 2 2 319.453 1.722 10 0 DDAELP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000171542851 162224062 /nfs/dbraw/zinc/22/40/62/162224062.db2.gz IOLKJCAKLQBYPT-HNNXBMFYSA-N 2 2 319.453 1.722 10 0 DDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972429 288247290 /nfs/dbraw/zinc/24/72/90/288247290.db2.gz OEQWJNYNKMPGEK-MCIONIFRSA-N 2 2 323.462 1.378 10 0 DDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000245972429 288247291 /nfs/dbraw/zinc/24/72/91/288247291.db2.gz OEQWJNYNKMPGEK-MCIONIFRSA-N 2 2 323.462 1.378 10 0 DDAELP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)co1 ZINC000095507700 185375702 /nfs/dbraw/zinc/37/57/02/185375702.db2.gz OXFUTJBNHQVVKC-LBPRGKRZSA-N 2 2 303.366 1.044 10 0 DDAELP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)co1 ZINC000095507700 185375703 /nfs/dbraw/zinc/37/57/03/185375703.db2.gz OXFUTJBNHQVVKC-LBPRGKRZSA-N 2 2 303.366 1.044 10 0 DDAELP CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000088751544 185264135 /nfs/dbraw/zinc/26/41/35/185264135.db2.gz CGBREFMYCYBTJV-LLVKDONJSA-N 2 2 308.407 1.559 10 0 DDAELP CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000088751544 185264136 /nfs/dbraw/zinc/26/41/36/185264136.db2.gz CGBREFMYCYBTJV-LLVKDONJSA-N 2 2 308.407 1.559 10 0 DDAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337693 185291851 /nfs/dbraw/zinc/29/18/51/185291851.db2.gz LKZYXIUDIMXYHR-PWSUYJOCSA-N 2 2 304.419 1.186 10 0 DDAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090337693 185291852 /nfs/dbraw/zinc/29/18/52/185291852.db2.gz LKZYXIUDIMXYHR-PWSUYJOCSA-N 2 2 304.419 1.186 10 0 DDAELP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1CCN(c2nccs2)CC1 ZINC000090566003 185304243 /nfs/dbraw/zinc/30/42/43/185304243.db2.gz CFYDGIWUHWXMGS-KBPBESRZSA-N 2 2 310.467 1.280 10 0 DDAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853955 539509495 /nfs/dbraw/zinc/50/94/95/539509495.db2.gz YHSGDJYWQRGDIB-QXAKKESOSA-N 2 2 317.477 1.817 10 0 DDAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853955 539509499 /nfs/dbraw/zinc/50/94/99/539509499.db2.gz YHSGDJYWQRGDIB-QXAKKESOSA-N 2 2 317.477 1.817 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853955 539509505 /nfs/dbraw/zinc/50/95/05/539509505.db2.gz YHSGDJYWQRGDIB-QXAKKESOSA-N 2 2 317.477 1.817 10 0 DDAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389853955 539509509 /nfs/dbraw/zinc/50/95/09/539509509.db2.gz YHSGDJYWQRGDIB-QXAKKESOSA-N 2 2 317.477 1.817 10 0 DDAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000384577467 354630377 /nfs/dbraw/zinc/63/03/77/354630377.db2.gz MXLCZOBEIVMFIL-AWEZNQCLSA-N 2 2 313.239 1.995 10 0 DDAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000384577467 354630380 /nfs/dbraw/zinc/63/03/80/354630380.db2.gz MXLCZOBEIVMFIL-AWEZNQCLSA-N 2 2 313.239 1.995 10 0 DDAELP CC(=O)Nc1ccsc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091666632 193087551 /nfs/dbraw/zinc/08/75/51/193087551.db2.gz XKHIWFKSMXHFOD-OLZOCXBDSA-N 2 2 309.435 1.659 10 0 DDAELP CC(=O)Nc1ccsc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091666632 193087553 /nfs/dbraw/zinc/08/75/53/193087553.db2.gz XKHIWFKSMXHFOD-OLZOCXBDSA-N 2 2 309.435 1.659 10 0 DDAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC000093895815 193324680 /nfs/dbraw/zinc/32/46/80/193324680.db2.gz TVZIUBOOMNVPOB-HOTGVXAUSA-N 2 2 310.873 1.892 10 0 DDAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)[C@@H]1C[N@@H+](C)CCN1C ZINC000093895815 193324681 /nfs/dbraw/zinc/32/46/81/193324681.db2.gz TVZIUBOOMNVPOB-HOTGVXAUSA-N 2 2 310.873 1.892 10 0 DDAELP CC[N@@H+]1CCO[C@H](COc2c(F)cc(CC[NH3+])cc2F)C1 ZINC000094349789 193363470 /nfs/dbraw/zinc/36/34/70/193363470.db2.gz AQDDVXZFTQXABO-LBPRGKRZSA-N 2 2 300.349 1.566 10 0 DDAELP CC[N@H+]1CCO[C@H](COc2c(F)cc(CC[NH3+])cc2F)C1 ZINC000094349789 193363472 /nfs/dbraw/zinc/36/34/72/193363472.db2.gz AQDDVXZFTQXABO-LBPRGKRZSA-N 2 2 300.349 1.566 10 0 DDAELP C[NH2+][C@H](Cc1cccc(Br)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509022 193375837 /nfs/dbraw/zinc/37/58/37/193375837.db2.gz YDBKWDKZAPHSMN-CABCVRRESA-N 2 2 324.266 1.579 10 0 DDAELP C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000110763457 194357029 /nfs/dbraw/zinc/35/70/29/194357029.db2.gz SGWFCLQTGRJDOA-QWHCGFSZSA-N 2 2 311.451 1.292 10 0 DDAELP C[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000110763457 194357032 /nfs/dbraw/zinc/35/70/32/194357032.db2.gz SGWFCLQTGRJDOA-QWHCGFSZSA-N 2 2 311.451 1.292 10 0 DDAELP Cc1cc([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)c(C)s1 ZINC000062978726 184264003 /nfs/dbraw/zinc/26/40/03/184264003.db2.gz LJNHEZPTFLKVBR-GOEBONIOSA-N 2 2 309.479 1.771 10 0 DDAELP CCOc1ccc(CN2CC[NH+](CCC[NH3+])CC2)cc1OC ZINC000066143237 184392679 /nfs/dbraw/zinc/39/26/79/184392679.db2.gz GQWITZWUAGWVRT-UHFFFAOYSA-N 2 2 307.438 1.560 10 0 DDAELP CCOc1ccc(C[NH+]2CCN(CCC[NH3+])CC2)cc1OC ZINC000066143237 184392680 /nfs/dbraw/zinc/39/26/80/184392680.db2.gz GQWITZWUAGWVRT-UHFFFAOYSA-N 2 2 307.438 1.560 10 0 DDAELP CC(C)Oc1ccccc1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142997 184393021 /nfs/dbraw/zinc/39/30/21/184393021.db2.gz UCEWNKJEAMGBNX-UHFFFAOYSA-N 2 2 305.422 1.580 10 0 DDAELP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000120856097 195251404 /nfs/dbraw/zinc/25/14/04/195251404.db2.gz ISDFSJXOEVOKBO-UKRRQHHQSA-N 2 2 304.394 1.574 10 0 DDAELP O[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)C[NH+]1CCCCC1 ZINC000126140372 407406310 /nfs/dbraw/zinc/40/63/10/407406310.db2.gz IQUAHVYLTHAXMN-IRXDYDNUSA-N 2 2 314.433 1.936 10 0 DDAELP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000262048385 407722542 /nfs/dbraw/zinc/72/25/42/407722542.db2.gz QALPLVOWPCUECD-MFKMUULPSA-N 2 2 300.362 1.584 10 0 DDAELP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1[NH3+] ZINC000262048385 407722548 /nfs/dbraw/zinc/72/25/48/407722548.db2.gz QALPLVOWPCUECD-MFKMUULPSA-N 2 2 300.362 1.584 10 0 DDAELP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000238035927 407875044 /nfs/dbraw/zinc/87/50/44/407875044.db2.gz LIRAYHFDYHIDFN-HOTGVXAUSA-N 2 2 302.422 1.243 10 0 DDAELP CC[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000119535307 408090500 /nfs/dbraw/zinc/09/05/00/408090500.db2.gz TVSLMQLSKMGPIF-OAHLLOKOSA-N 2 2 319.453 1.846 10 0 DDAELP CC[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC[N@H+]1CCOC ZINC000119535307 408090505 /nfs/dbraw/zinc/09/05/05/408090505.db2.gz TVSLMQLSKMGPIF-OAHLLOKOSA-N 2 2 319.453 1.846 10 0 DDAELP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000189856817 408123374 /nfs/dbraw/zinc/12/33/74/408123374.db2.gz CBRPZWBMOLJEDX-INIZCTEOSA-N 2 2 300.406 1.772 10 0 DDAELP O[C@H](C[NH2+]Cc1ccc(Br)o1)C[NH+]1CCCCC1 ZINC000190855664 408330907 /nfs/dbraw/zinc/33/09/07/408330907.db2.gz XKXBRKUZTPVDNY-LLVKDONJSA-N 2 2 317.227 1.979 10 0 DDAELP CC[C@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000247124048 408412700 /nfs/dbraw/zinc/41/27/00/408412700.db2.gz JYGBOGWCOXACFN-RDJZCZTQSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@H]1CN(Cc2cn3cc(C)ccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000247124048 408412704 /nfs/dbraw/zinc/41/27/04/408412704.db2.gz JYGBOGWCOXACFN-RDJZCZTQSA-N 2 2 316.449 1.920 10 0 DDAELP CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000178288907 408798200 /nfs/dbraw/zinc/79/82/00/408798200.db2.gz HOWDCESLMNETCS-YPMHNXCESA-N 2 2 305.382 1.947 10 0 DDAELP CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000178288907 408798202 /nfs/dbraw/zinc/79/82/02/408798202.db2.gz HOWDCESLMNETCS-YPMHNXCESA-N 2 2 305.382 1.947 10 0 DDAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178327613 408805859 /nfs/dbraw/zinc/80/58/59/408805859.db2.gz BBVJAGQZCPFCCR-ZDUSSCGKSA-N 2 2 303.366 1.591 10 0 DDAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178327613 408805863 /nfs/dbraw/zinc/80/58/63/408805863.db2.gz BBVJAGQZCPFCCR-ZDUSSCGKSA-N 2 2 303.366 1.591 10 0 DDAELP Cc1cccc2c(N(C)C[C@H](O)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000301690945 410773041 /nfs/dbraw/zinc/77/30/41/410773041.db2.gz WOXCIKXNYZPQSA-HNNXBMFYSA-N 2 2 315.417 1.673 10 0 DDAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246884631 279265995 /nfs/dbraw/zinc/26/59/95/279265995.db2.gz GXDKEIDVQPZKIQ-OAGGEKHMSA-N 2 2 309.454 1.040 10 0 DDAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246884631 279265997 /nfs/dbraw/zinc/26/59/97/279265997.db2.gz GXDKEIDVQPZKIQ-OAGGEKHMSA-N 2 2 309.454 1.040 10 0 DDAELP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000113216644 281071893 /nfs/dbraw/zinc/07/18/93/281071893.db2.gz XDGWKBYFXMRODP-YHUYYLMFSA-N 2 2 300.443 1.221 10 0 DDAELP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000113216644 281071902 /nfs/dbraw/zinc/07/19/02/281071902.db2.gz XDGWKBYFXMRODP-YHUYYLMFSA-N 2 2 300.443 1.221 10 0 DDAELP O=C(C[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000054307718 483938153 /nfs/dbraw/zinc/93/81/53/483938153.db2.gz LAXSCAHNRJAFGD-CQSZACIVSA-N 2 2 307.463 1.782 10 0 DDAELP CCn1cnnc1[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000681926438 486598580 /nfs/dbraw/zinc/59/85/80/486598580.db2.gz RYMASHNGNCIWOA-OAHLLOKOSA-N 2 2 318.425 1.657 10 0 DDAELP CCn1cnnc1[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000681926438 486598583 /nfs/dbraw/zinc/59/85/83/486598583.db2.gz RYMASHNGNCIWOA-OAHLLOKOSA-N 2 2 318.425 1.657 10 0 DDAELP COC(C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1)OC ZINC000195264707 697737261 /nfs/dbraw/zinc/73/72/61/697737261.db2.gz QYJGCTALNSAKOB-ZDUSSCGKSA-N 2 2 313.467 1.824 10 0 DDAELP COC(C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1)OC ZINC000195264707 697737263 /nfs/dbraw/zinc/73/72/63/697737263.db2.gz QYJGCTALNSAKOB-ZDUSSCGKSA-N 2 2 313.467 1.824 10 0 DDAELP COC(C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1)OC ZINC000195264707 697737266 /nfs/dbraw/zinc/73/72/66/697737266.db2.gz QYJGCTALNSAKOB-ZDUSSCGKSA-N 2 2 313.467 1.824 10 0 DDAELP COC(C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1)OC ZINC000195264707 697737269 /nfs/dbraw/zinc/73/72/69/697737269.db2.gz QYJGCTALNSAKOB-ZDUSSCGKSA-N 2 2 313.467 1.824 10 0 DDAELP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@H]1C(C)C ZINC000888097739 709212590 /nfs/dbraw/zinc/21/25/90/709212590.db2.gz NQTPUTZNZFGZNF-VQHPVUNQSA-N 2 2 306.454 1.678 10 0 DDAELP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn[nH]c3C)C2)[C@H]1C(C)C ZINC000888097739 709212591 /nfs/dbraw/zinc/21/25/91/709212591.db2.gz NQTPUTZNZFGZNF-VQHPVUNQSA-N 2 2 306.454 1.678 10 0 DDAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)c2c(c1)OCCO2 ZINC000087928485 185237509 /nfs/dbraw/zinc/23/75/09/185237509.db2.gz CJXIHILAQQSNRQ-YPMHNXCESA-N 2 2 312.797 1.880 10 0 DDAELP COc1ccc([C@@H](C[NH3+])[NH2+]CCCO)cc1Br ZINC000087929762 185237716 /nfs/dbraw/zinc/23/77/16/185237716.db2.gz HEDKHSHLICEJEP-LLVKDONJSA-N 2 2 303.200 1.430 10 0 DDAELP CC[C@@H]1CN(c2nc(NN)[nH+]cc2Br)CC[N@@H+]1C ZINC000087877251 185234007 /nfs/dbraw/zinc/23/40/07/185234007.db2.gz GTFYUJSRRNZFRP-MRVPVSSYSA-N 2 2 315.219 1.055 10 0 DDAELP CC[C@@H]1CN(c2nc(NN)[nH+]cc2Br)CC[N@H+]1C ZINC000087877251 185234008 /nfs/dbraw/zinc/23/40/08/185234008.db2.gz GTFYUJSRRNZFRP-MRVPVSSYSA-N 2 2 315.219 1.055 10 0 DDAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090332635 185291705 /nfs/dbraw/zinc/29/17/05/185291705.db2.gz RQNUFCNGVWGWQM-RAIGVLPGSA-N 2 2 304.419 1.186 10 0 DDAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000090332635 185291706 /nfs/dbraw/zinc/29/17/06/185291706.db2.gz RQNUFCNGVWGWQM-RAIGVLPGSA-N 2 2 304.419 1.186 10 0 DDAELP [NH3+]C[C@H]1c2ccc3ccccc3c2CN1CC[NH+]1CCOCC1 ZINC000071683642 191006330 /nfs/dbraw/zinc/00/63/30/191006330.db2.gz GPCUWPQSFWJWPG-IBGZPJMESA-N 2 2 311.429 1.987 10 0 DDAELP C=Cn1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000194297608 186278973 /nfs/dbraw/zinc/27/89/73/186278973.db2.gz VDOSBSJDBRIQOC-AWEZNQCLSA-N 2 2 313.409 1.574 10 0 DDAELP CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000080657517 192178388 /nfs/dbraw/zinc/17/83/88/192178388.db2.gz ZTNRQFYSAHXLMJ-NSHDSACASA-N 2 2 308.407 1.559 10 0 DDAELP [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237896309 202382608 /nfs/dbraw/zinc/38/26/08/202382608.db2.gz KFZFXYSDNVIBPY-CVEARBPZSA-N 2 2 303.406 1.585 10 0 DDAELP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270836 201371556 /nfs/dbraw/zinc/37/15/56/201371556.db2.gz BNWCYRYZUYZZQI-QZTJIDSGSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195270836 201371559 /nfs/dbraw/zinc/37/15/59/201371559.db2.gz BNWCYRYZUYZZQI-QZTJIDSGSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195270836 201371562 /nfs/dbraw/zinc/37/15/62/201371562.db2.gz BNWCYRYZUYZZQI-QZTJIDSGSA-N 2 2 321.465 1.621 10 0 DDAELP CC(C)OC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195270836 201371565 /nfs/dbraw/zinc/37/15/65/201371565.db2.gz BNWCYRYZUYZZQI-QZTJIDSGSA-N 2 2 321.465 1.621 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2C[N@@H+](C(C)C)CCO2)c1Cl ZINC000093925697 193328799 /nfs/dbraw/zinc/32/87/99/193328799.db2.gz VMZWNRFLOXSCQI-BXUZGUMPSA-N 2 2 314.861 1.615 10 0 DDAELP CCc1nn(C)c(C[C@@H]([NH3+])[C@H]2C[N@H+](C(C)C)CCO2)c1Cl ZINC000093925697 193328801 /nfs/dbraw/zinc/32/88/01/193328801.db2.gz VMZWNRFLOXSCQI-BXUZGUMPSA-N 2 2 314.861 1.615 10 0 DDAELP [NH3+][C@@H](Cc1sccc1Br)[C@H]1C[NH+]2CCN1CC2 ZINC000094508150 193376168 /nfs/dbraw/zinc/37/61/68/193376168.db2.gz AVVXZEFMBSLGGZ-WDEREUQCSA-N 2 2 316.268 1.380 10 0 DDAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000105845918 194145132 /nfs/dbraw/zinc/14/51/32/194145132.db2.gz CCHPNONCOWSWMN-SFHVURJKSA-N 2 2 318.465 1.308 10 0 DDAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000105845918 194145134 /nfs/dbraw/zinc/14/51/34/194145134.db2.gz CCHPNONCOWSWMN-SFHVURJKSA-N 2 2 318.465 1.308 10 0 DDAELP C[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863027 407356618 /nfs/dbraw/zinc/35/66/18/407356618.db2.gz FFFBTPIIYJBBNM-KRWDZBQOSA-N 2 2 306.454 1.848 10 0 DDAELP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863027 407356620 /nfs/dbraw/zinc/35/66/20/407356620.db2.gz FFFBTPIIYJBBNM-KRWDZBQOSA-N 2 2 306.454 1.848 10 0 DDAELP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859069 407643307 /nfs/dbraw/zinc/64/33/07/407643307.db2.gz BYLIHXDPXGTPGZ-KSZLIROESA-N 3 2 309.498 1.998 10 0 DDAELP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859069 407643312 /nfs/dbraw/zinc/64/33/12/407643312.db2.gz BYLIHXDPXGTPGZ-KSZLIROESA-N 3 2 309.498 1.998 10 0 DDAELP COC(=O)CCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000116398688 407748881 /nfs/dbraw/zinc/74/88/81/407748881.db2.gz UMRUHBLJHHYXGX-UHFFFAOYSA-N 2 2 308.426 1.233 10 0 DDAELP COC(=O)CCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000116398688 407748886 /nfs/dbraw/zinc/74/88/86/407748886.db2.gz UMRUHBLJHHYXGX-UHFFFAOYSA-N 2 2 308.426 1.233 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126799 408031538 /nfs/dbraw/zinc/03/15/38/408031538.db2.gz BJDRZEURLFVOEM-DDBAPUKQSA-N 3 2 303.450 1.209 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126799 408031543 /nfs/dbraw/zinc/03/15/43/408031543.db2.gz BJDRZEURLFVOEM-DDBAPUKQSA-N 3 2 303.450 1.209 10 0 DDAELP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263312572 408102044 /nfs/dbraw/zinc/10/20/44/408102044.db2.gz YYTBKRPSDXYLMD-ZDUSSCGKSA-N 2 2 303.397 1.564 10 0 DDAELP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246672736 408315711 /nfs/dbraw/zinc/31/57/11/408315711.db2.gz HYMATLWMAWACDB-YQQAZPJKSA-N 2 2 319.449 1.203 10 0 DDAELP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000246672736 408315716 /nfs/dbraw/zinc/31/57/16/408315716.db2.gz HYMATLWMAWACDB-YQQAZPJKSA-N 2 2 319.449 1.203 10 0 DDAELP CC[C@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@@H+]1C[C@@H](C)O ZINC000190523407 408269669 /nfs/dbraw/zinc/26/96/69/408269669.db2.gz OSUOTQIKAPQQSQ-KGLIPLIRSA-N 2 2 323.437 1.376 10 0 DDAELP CC[C@H]1CN(Cc2[nH+]ccc(OC)c2OC)CC[N@H+]1C[C@@H](C)O ZINC000190523407 408269673 /nfs/dbraw/zinc/26/96/73/408269673.db2.gz OSUOTQIKAPQQSQ-KGLIPLIRSA-N 2 2 323.437 1.376 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn(C)nc2C)nc[nH+]1 ZINC000162031321 408662812 /nfs/dbraw/zinc/66/28/12/408662812.db2.gz HPOMUFFILAOBEZ-AWEZNQCLSA-N 2 2 315.425 1.319 10 0 DDAELP CC(C)c1nnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1C ZINC000195431625 163320950 /nfs/dbraw/zinc/32/09/50/163320950.db2.gz YSOWBTZXVYMJPE-UHFFFAOYSA-N 2 2 321.469 1.483 10 0 DDAELP Cc1nc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000302116608 410841334 /nfs/dbraw/zinc/84/13/34/410841334.db2.gz WJKUISQGBCANLG-SUMWQHHRSA-N 2 2 316.449 1.821 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404330893 418771030 /nfs/dbraw/zinc/77/10/30/418771030.db2.gz YXNUSMRHYMOJIT-HWMZRRJGSA-N 2 2 319.449 1.470 10 0 DDAELP COC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404330893 418771032 /nfs/dbraw/zinc/77/10/32/418771032.db2.gz YXNUSMRHYMOJIT-HWMZRRJGSA-N 2 2 319.449 1.470 10 0 DDAELP Cc1cc(C)c(C[N@@H+]2CC[C@@H](n3cc(C(N)=O)nn3)C2)c(C)[nH+]1 ZINC000639680105 423653673 /nfs/dbraw/zinc/65/36/73/423653673.db2.gz VFDNLQJOKIWPTE-CYBMUJFWSA-N 2 2 314.393 1.144 10 0 DDAELP Cc1cc(C)c(C[N@H+]2CC[C@@H](n3cc(C(N)=O)nn3)C2)c(C)[nH+]1 ZINC000639680105 423653675 /nfs/dbraw/zinc/65/36/75/423653675.db2.gz VFDNLQJOKIWPTE-CYBMUJFWSA-N 2 2 314.393 1.144 10 0 DDAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000390687426 307293757 /nfs/dbraw/zinc/29/37/57/307293757.db2.gz YVLQVNFRFUJWLP-GOSISDBHSA-N 3 2 303.450 1.619 10 0 DDAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000390687426 307293758 /nfs/dbraw/zinc/29/37/58/307293758.db2.gz YVLQVNFRFUJWLP-GOSISDBHSA-N 3 2 303.450 1.619 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000262123619 484264001 /nfs/dbraw/zinc/26/40/01/484264001.db2.gz MOYSFGPGDCMDCX-BXKDBHETSA-N 2 2 303.175 1.258 10 0 DDAELP CC[NH+](CC)CCSc1nc(NN)[nH+]cc1Br ZINC000087894913 185235297 /nfs/dbraw/zinc/23/52/97/185235297.db2.gz QAOWYRVRAODGIE-UHFFFAOYSA-N 2 2 320.260 1.959 10 0 DDAELP COCC[NH2+]CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000237211940 202190655 /nfs/dbraw/zinc/19/06/55/202190655.db2.gz CAHGLDWLKLVYII-ZDUSSCGKSA-N 2 2 302.378 1.286 10 0 DDAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cnn(C)c2)nc[nH+]1 ZINC000180567492 199176902 /nfs/dbraw/zinc/17/69/02/199176902.db2.gz NPNIDGLKLFLUGO-JSGCOSHPSA-N 2 2 315.425 1.571 10 0 DDAELP CN(c1nc[nH+]c(N2CCCCCC2)c1N)C1CC[NH+](C)CC1 ZINC000040725684 183124468 /nfs/dbraw/zinc/12/44/68/183124468.db2.gz HYTFKAONJLPDIY-UHFFFAOYSA-N 2 2 318.469 1.970 10 0 DDAELP CN(c1[nH+]cnc(N2CCCCCC2)c1N)C1CC[NH+](C)CC1 ZINC000040725684 183124472 /nfs/dbraw/zinc/12/44/72/183124472.db2.gz HYTFKAONJLPDIY-UHFFFAOYSA-N 2 2 318.469 1.970 10 0 DDAELP COC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955298 183321963 /nfs/dbraw/zinc/32/19/63/183321963.db2.gz TUTLTJIRXBYUSE-STQMWFEESA-N 2 2 317.227 1.388 10 0 DDAELP COC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955298 183321964 /nfs/dbraw/zinc/32/19/64/183321964.db2.gz TUTLTJIRXBYUSE-STQMWFEESA-N 2 2 317.227 1.388 10 0 DDAELP CCC[C@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)[NH+](C)C ZINC000155462264 197056882 /nfs/dbraw/zinc/05/68/82/197056882.db2.gz QJHQYQXJLYDEOV-OAHLLOKOSA-N 2 2 324.494 1.908 10 0 DDAELP CCC[C@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[NH+](C)C ZINC000155462264 197056884 /nfs/dbraw/zinc/05/68/84/197056884.db2.gz QJHQYQXJLYDEOV-OAHLLOKOSA-N 2 2 324.494 1.908 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000171614406 407720941 /nfs/dbraw/zinc/72/09/41/407720941.db2.gz YTOSVYZHBMWFBI-LLVKDONJSA-N 2 2 320.422 1.573 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000171614406 407720944 /nfs/dbraw/zinc/72/09/44/407720944.db2.gz YTOSVYZHBMWFBI-LLVKDONJSA-N 2 2 320.422 1.573 10 0 DDAELP C[N@H+](CCOCC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000119187721 408009813 /nfs/dbraw/zinc/00/98/13/408009813.db2.gz JMFQBLGCVICVKN-UHFFFAOYSA-N 2 2 306.454 1.706 10 0 DDAELP C[N@@H+](CCOCC1CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000119187721 408009817 /nfs/dbraw/zinc/00/98/17/408009817.db2.gz JMFQBLGCVICVKN-UHFFFAOYSA-N 2 2 306.454 1.706 10 0 DDAELP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000263319082 408104304 /nfs/dbraw/zinc/10/43/04/408104304.db2.gz ZXKSVZCMYOVZSV-NEPJUHHUSA-N 2 2 316.348 1.357 10 0 DDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000263191633 408054531 /nfs/dbraw/zinc/05/45/31/408054531.db2.gz HZAJDVVXYMJJAC-BLLLJJGKSA-N 2 2 309.841 1.610 10 0 DDAELP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000175963684 408253270 /nfs/dbraw/zinc/25/32/70/408253270.db2.gz MSDWZOKYOGSCFY-CQSZACIVSA-N 2 2 308.426 1.235 10 0 DDAELP CCOCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000175963684 408253273 /nfs/dbraw/zinc/25/32/73/408253273.db2.gz MSDWZOKYOGSCFY-CQSZACIVSA-N 2 2 308.426 1.235 10 0 DDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000133063189 162051542 /nfs/dbraw/zinc/05/15/42/162051542.db2.gz FVHSJMNHIFVBKT-ZFWWWQNUSA-N 2 2 300.410 1.797 10 0 DDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000133063189 162051545 /nfs/dbraw/zinc/05/15/45/162051545.db2.gz FVHSJMNHIFVBKT-ZFWWWQNUSA-N 2 2 300.410 1.797 10 0 DDAELP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cn2)c[nH+]1 ZINC000177123019 408525411 /nfs/dbraw/zinc/52/54/11/408525411.db2.gz VJPFXDGPTBGDMG-HNNXBMFYSA-N 2 2 309.377 1.696 10 0 DDAELP c1cn(-c2ccc(C[N@H+]3CCC[C@H](n4cncn4)C3)cn2)c[nH+]1 ZINC000177123019 408525415 /nfs/dbraw/zinc/52/54/15/408525415.db2.gz VJPFXDGPTBGDMG-HNNXBMFYSA-N 2 2 309.377 1.696 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000247474343 408475952 /nfs/dbraw/zinc/47/59/52/408475952.db2.gz RZSPIKPURFFACL-ZFWWWQNUSA-N 2 2 311.389 1.576 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000247474343 408475956 /nfs/dbraw/zinc/47/59/56/408475956.db2.gz RZSPIKPURFFACL-ZFWWWQNUSA-N 2 2 311.389 1.576 10 0 DDAELP COC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649275506 423713249 /nfs/dbraw/zinc/71/32/49/423713249.db2.gz FKFGVIIAQLGBKE-GOSISDBHSA-N 2 2 317.433 1.099 10 0 DDAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000263167155 280076944 /nfs/dbraw/zinc/07/69/44/280076944.db2.gz FHDSWZUNHOYCDU-OLZOCXBDSA-N 2 2 301.381 1.461 10 0 DDAELP [NH3+][C@H]1C[C@@H](C(=O)[O-])[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000077503427 483962661 /nfs/dbraw/zinc/96/26/61/483962661.db2.gz AWBKXCRKVVLUHX-RDJZCZTQSA-N 2 2 317.433 1.180 10 0 DDAELP [NH3+][C@H]1C[C@@H](C(=O)[O-])[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000077503427 483962665 /nfs/dbraw/zinc/96/26/65/483962665.db2.gz AWBKXCRKVVLUHX-RDJZCZTQSA-N 2 2 317.433 1.180 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cc1Cl ZINC000262165128 484264774 /nfs/dbraw/zinc/26/47/74/484264774.db2.gz UGBRMYGXALKWFB-CABZTGNLSA-N 2 2 319.630 1.772 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000886075556 708692875 /nfs/dbraw/zinc/69/28/75/708692875.db2.gz ODIIFSYRFZZMGO-GUTXKFCHSA-N 2 2 306.410 1.019 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000886075556 708692878 /nfs/dbraw/zinc/69/28/78/708692878.db2.gz ODIIFSYRFZZMGO-GUTXKFCHSA-N 2 2 306.410 1.019 10 0 DDAELP CC[N@@H+]1CCN(c2nc(NN)[nH+]cc2Br)C[C@@H]1C ZINC000087877205 185234132 /nfs/dbraw/zinc/23/41/32/185234132.db2.gz VAPDVYIFCSFBHE-QMMMGPOBSA-N 2 2 315.219 1.055 10 0 DDAELP CC[N@H+]1CCN(c2nc(NN)[nH+]cc2Br)C[C@@H]1C ZINC000087877205 185234133 /nfs/dbraw/zinc/23/41/33/185234133.db2.gz VAPDVYIFCSFBHE-QMMMGPOBSA-N 2 2 315.219 1.055 10 0 DDAELP C[N@@H+]1CCc2nc(NC(=O)Cc3csc(C[NH3+])n3)sc2C1 ZINC000071696970 191008934 /nfs/dbraw/zinc/00/89/34/191008934.db2.gz ZZITWTFHNKXPCN-UHFFFAOYSA-N 2 2 323.447 1.227 10 0 DDAELP C[N@H+]1CCc2nc(NC(=O)Cc3csc(C[NH3+])n3)sc2C1 ZINC000071696970 191008937 /nfs/dbraw/zinc/00/89/37/191008937.db2.gz ZZITWTFHNKXPCN-UHFFFAOYSA-N 2 2 323.447 1.227 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257113 201367956 /nfs/dbraw/zinc/36/79/56/201367956.db2.gz WRSCMWIWQHERFX-KBPBESRZSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257113 201367959 /nfs/dbraw/zinc/36/79/59/201367959.db2.gz WRSCMWIWQHERFX-KBPBESRZSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257113 201367961 /nfs/dbraw/zinc/36/79/61/201367961.db2.gz WRSCMWIWQHERFX-KBPBESRZSA-N 2 2 324.494 1.682 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C)C1 ZINC000195257113 201367965 /nfs/dbraw/zinc/36/79/65/201367965.db2.gz WRSCMWIWQHERFX-KBPBESRZSA-N 2 2 324.494 1.682 10 0 DDAELP C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262109000 203200873 /nfs/dbraw/zinc/20/08/73/203200873.db2.gz VPJDXUFFEYSBRG-MAZHCROVSA-N 2 2 314.389 1.556 10 0 DDAELP O=C([C@@H]1CCC[N@H+]1Cc1cnc(Cl)s1)N1CC[NH2+]CC1 ZINC000094195216 193348454 /nfs/dbraw/zinc/34/84/54/193348454.db2.gz WIAVMGRVFIVTEM-NSHDSACASA-N 2 2 314.842 1.193 10 0 DDAELP O=C([C@@H]1CCC[N@@H+]1Cc1cnc(Cl)s1)N1CC[NH2+]CC1 ZINC000094195216 193348455 /nfs/dbraw/zinc/34/84/55/193348455.db2.gz WIAVMGRVFIVTEM-NSHDSACASA-N 2 2 314.842 1.193 10 0 DDAELP Cc1ccccc1Nc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040756883 183129366 /nfs/dbraw/zinc/12/93/66/183129366.db2.gz XRVRFGXXJWOGKW-UHFFFAOYSA-N 2 2 313.409 1.685 10 0 DDAELP Cc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cs1 ZINC000041011318 183155889 /nfs/dbraw/zinc/15/58/89/183155889.db2.gz RSNUTLTYOSPYFH-CQSZACIVSA-N 2 2 308.451 1.284 10 0 DDAELP Cc1nc(CNC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cs1 ZINC000041011318 183155890 /nfs/dbraw/zinc/15/58/90/183155890.db2.gz RSNUTLTYOSPYFH-CQSZACIVSA-N 2 2 308.451 1.284 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCCOC)C1 ZINC000105922607 194171558 /nfs/dbraw/zinc/17/15/58/194171558.db2.gz RDBTXJOUTYKFIN-CQSZACIVSA-N 2 2 308.426 1.235 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000105922607 194171560 /nfs/dbraw/zinc/17/15/60/194171560.db2.gz RDBTXJOUTYKFIN-CQSZACIVSA-N 2 2 308.426 1.235 10 0 DDAELP C[C@@H](C(N)=S)[NH+]1CCN(c2cn[nH+]c3ccccc32)CC1 ZINC000110548479 194338229 /nfs/dbraw/zinc/33/82/29/194338229.db2.gz RQSMBICZTYTZCG-NSHDSACASA-N 2 2 301.419 1.426 10 0 DDAELP CC[C@H]1CN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000110763491 194356292 /nfs/dbraw/zinc/35/62/92/194356292.db2.gz RKCFREXPVAXBRM-OCCSQVGLSA-N 2 2 311.451 1.421 10 0 DDAELP CC[C@H]1CN(S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1C ZINC000110763491 194356295 /nfs/dbraw/zinc/35/62/95/194356295.db2.gz RKCFREXPVAXBRM-OCCSQVGLSA-N 2 2 311.451 1.421 10 0 DDAELP C[NH+](C)C[C@H]1CCCN1c1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061654793 184181084 /nfs/dbraw/zinc/18/10/84/184181084.db2.gz ZQGSYIFBIKNHSL-SNVBAGLBSA-N 2 2 307.789 1.241 10 0 DDAELP [NH3+]C[C@H](c1cccc(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062977915 184264422 /nfs/dbraw/zinc/26/44/22/184264422.db2.gz NQSLDCFXIUYUDW-JKSUJKDBSA-N 2 2 309.841 1.746 10 0 DDAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1([NH3+])CCOCC1)C2 ZINC000261804956 407623470 /nfs/dbraw/zinc/62/34/70/407623470.db2.gz JDAYFMRUSGBXGX-LBPRGKRZSA-N 2 2 320.437 1.120 10 0 DDAELP COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000186321553 407636870 /nfs/dbraw/zinc/63/68/70/407636870.db2.gz LARUZOCJXPHBTH-MRXNPFEDSA-N 2 2 300.362 1.795 10 0 DDAELP COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000186321553 407636876 /nfs/dbraw/zinc/63/68/76/407636876.db2.gz LARUZOCJXPHBTH-MRXNPFEDSA-N 2 2 300.362 1.795 10 0 DDAELP Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cn2c1 ZINC000262029041 407717518 /nfs/dbraw/zinc/71/75/18/407717518.db2.gz XHQQSONWLNGIEG-ZACQAIPSSA-N 2 2 314.433 1.889 10 0 DDAELP [NH3+]CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000262296833 407788668 /nfs/dbraw/zinc/78/86/68/407788668.db2.gz PEQJHNHVJWJWQR-UHFFFAOYSA-N 2 2 300.362 1.566 10 0 DDAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263197869 408053436 /nfs/dbraw/zinc/05/34/36/408053436.db2.gz IRNCEPCVZIKWSL-DLBZAZTESA-N 3 2 305.466 1.315 10 0 DDAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263197869 408053440 /nfs/dbraw/zinc/05/34/40/408053440.db2.gz IRNCEPCVZIKWSL-DLBZAZTESA-N 3 2 305.466 1.315 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263227158 408065940 /nfs/dbraw/zinc/06/59/40/408065940.db2.gz MYVCAQSAOXNVID-RYUDHWBXSA-N 2 2 312.364 1.606 10 0 DDAELP CCCOc1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cccc1OCC ZINC000263295408 408094918 /nfs/dbraw/zinc/09/49/18/408094918.db2.gz WEIGOVLXOASFNX-HUUCEWRRSA-N 2 2 308.422 1.544 10 0 DDAELP CN1CC[NH2+]C[C@H]1c1noc(CCc2[nH]c3ccccc3[nH+]2)n1 ZINC000263300711 408095257 /nfs/dbraw/zinc/09/52/57/408095257.db2.gz XAKJALHIPNCRLL-ZDUSSCGKSA-N 2 2 312.377 1.307 10 0 DDAELP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)[nH+]1 ZINC000263307488 408101317 /nfs/dbraw/zinc/10/13/17/408101317.db2.gz YCABJJVHVXADEI-ZDUSSCGKSA-N 2 2 324.375 1.472 10 0 DDAELP C[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246065375 408132626 /nfs/dbraw/zinc/13/26/26/408132626.db2.gz HKWACBPPYSLBIN-GJZGRUSLSA-N 2 2 301.438 1.997 10 0 DDAELP C[C@H]1CCCN(c2cc(N3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000246065375 408132636 /nfs/dbraw/zinc/13/26/36/408132636.db2.gz HKWACBPPYSLBIN-GJZGRUSLSA-N 2 2 301.438 1.997 10 0 DDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000246900393 408364037 /nfs/dbraw/zinc/36/40/37/408364037.db2.gz FVHSJMNHIFVBKT-UKRRQHHQSA-N 2 2 300.410 1.797 10 0 DDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000246900393 408364038 /nfs/dbraw/zinc/36/40/38/408364038.db2.gz FVHSJMNHIFVBKT-UKRRQHHQSA-N 2 2 300.410 1.797 10 0 DDAELP CCC[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000161586351 408618003 /nfs/dbraw/zinc/61/80/03/408618003.db2.gz MKYJCLKDRNFDAJ-HNNXBMFYSA-N 2 2 304.438 1.897 10 0 DDAELP CN(C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000185264624 408788705 /nfs/dbraw/zinc/78/87/05/408788705.db2.gz RYIBFAMBKKATPO-LBPRGKRZSA-N 2 2 302.382 1.465 10 0 DDAELP CN(C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000185264624 408788709 /nfs/dbraw/zinc/78/87/09/408788709.db2.gz RYIBFAMBKKATPO-LBPRGKRZSA-N 2 2 302.382 1.465 10 0 DDAELP C[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000163351470 408774979 /nfs/dbraw/zinc/77/49/79/408774979.db2.gz STLGPSFCXGADAH-ZIAGYGMSSA-N 2 2 311.451 1.496 10 0 DDAELP C[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)CS(C)(=O)=O ZINC000163351470 408774982 /nfs/dbraw/zinc/77/49/82/408774982.db2.gz STLGPSFCXGADAH-ZIAGYGMSSA-N 2 2 311.451 1.496 10 0 DDAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1CC ZINC000191484688 163188094 /nfs/dbraw/zinc/18/80/94/163188094.db2.gz NVGMRHWENGSDOH-SJORKVTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1CC ZINC000191484688 163188095 /nfs/dbraw/zinc/18/80/95/163188095.db2.gz NVGMRHWENGSDOH-SJORKVTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H]1CC ZINC000191484688 163188096 /nfs/dbraw/zinc/18/80/96/163188096.db2.gz NVGMRHWENGSDOH-SJORKVTESA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1CC ZINC000191484688 163188097 /nfs/dbraw/zinc/18/80/97/163188097.db2.gz NVGMRHWENGSDOH-SJORKVTESA-N 2 2 313.486 1.140 10 0 DDAELP C[N@H+](C[C@H]1CCC=CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000193904108 163271207 /nfs/dbraw/zinc/27/12/07/163271207.db2.gz DROPRTHBIRVBJU-QGZVFWFLSA-N 2 2 304.438 1.972 10 0 DDAELP C[N@@H+](C[C@H]1CCC=CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000193904108 163271212 /nfs/dbraw/zinc/27/12/12/163271212.db2.gz DROPRTHBIRVBJU-QGZVFWFLSA-N 2 2 304.438 1.972 10 0 DDAELP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000194697798 163294342 /nfs/dbraw/zinc/29/43/42/163294342.db2.gz VFDOSGYROOPWFV-RHSMWYFYSA-N 2 2 321.465 1.040 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000262199392 163784707 /nfs/dbraw/zinc/78/47/07/163784707.db2.gz ZVVBSQMULBDLDF-BXKDBHETSA-N 2 2 303.175 1.258 10 0 DDAELP CCC[C@@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000338212903 409805382 /nfs/dbraw/zinc/80/53/82/409805382.db2.gz COHRCQYKKYJHKU-ZIAGYGMSSA-N 3 2 319.453 1.018 10 0 DDAELP O[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1n1cccn1 ZINC000657515723 424392331 /nfs/dbraw/zinc/39/23/31/424392331.db2.gz ZVLNFKKBBKBOKX-GVDBMIGSSA-N 2 2 309.373 1.533 10 0 DDAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1CC ZINC000191484673 276322596 /nfs/dbraw/zinc/32/25/96/276322596.db2.gz NVGMRHWENGSDOH-IAGOWNOFSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1CC ZINC000191484673 276322597 /nfs/dbraw/zinc/32/25/97/276322597.db2.gz NVGMRHWENGSDOH-IAGOWNOFSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1CC ZINC000191484673 276322598 /nfs/dbraw/zinc/32/25/98/276322598.db2.gz NVGMRHWENGSDOH-IAGOWNOFSA-N 2 2 313.486 1.140 10 0 DDAELP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@H]1CC ZINC000191484673 276322599 /nfs/dbraw/zinc/32/25/99/276322599.db2.gz NVGMRHWENGSDOH-IAGOWNOFSA-N 2 2 313.486 1.140 10 0 DDAELP COc1cc(Cl)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000262069833 484260910 /nfs/dbraw/zinc/26/09/10/484260910.db2.gz CBWQSGRKLQNPEF-JOYOIKCWSA-N 2 2 305.205 1.672 10 0 DDAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000173574284 282250172 /nfs/dbraw/zinc/25/01/72/282250172.db2.gz RUZJMKZMXFTSNA-IAGOWNOFSA-N 2 2 323.481 1.430 10 0 DDAELP CCC(CC)[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000173574284 282250176 /nfs/dbraw/zinc/25/01/76/282250176.db2.gz RUZJMKZMXFTSNA-IAGOWNOFSA-N 2 2 323.481 1.430 10 0 DDAELP [NH3+]C1CC[NH+](CC(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000092713763 185335727 /nfs/dbraw/zinc/33/57/27/185335727.db2.gz YZGXFIPPUUXAGC-CQSZACIVSA-N 2 2 305.447 1.763 10 0 DDAELP Cc1nnc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1C1CC1 ZINC000328641577 354556955 /nfs/dbraw/zinc/55/69/55/354556955.db2.gz QPOIRRDRAOQBFJ-ZDUSSCGKSA-N 2 2 300.410 1.812 10 0 DDAELP Cc1nnc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1C1CC1 ZINC000328641577 354556959 /nfs/dbraw/zinc/55/69/59/354556959.db2.gz QPOIRRDRAOQBFJ-ZDUSSCGKSA-N 2 2 300.410 1.812 10 0 DDAELP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271667 201371389 /nfs/dbraw/zinc/37/13/89/201371389.db2.gz FJQRTCHMGWRMMP-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195271667 201371392 /nfs/dbraw/zinc/37/13/92/201371392.db2.gz FJQRTCHMGWRMMP-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP CCOC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195271667 201371395 /nfs/dbraw/zinc/37/13/95/201371395.db2.gz FJQRTCHMGWRMMP-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP CCOC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195271667 201371398 /nfs/dbraw/zinc/37/13/98/201371398.db2.gz FJQRTCHMGWRMMP-INIZCTEOSA-N 2 2 305.422 1.789 10 0 DDAELP CSC1(C[NH3+])CC[NH+](C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000091474582 193061273 /nfs/dbraw/zinc/06/12/73/193061273.db2.gz MCCZHDHIFYMXHA-CQSZACIVSA-N 3 2 301.500 1.252 10 0 DDAELP CSC1(C[NH3+])CC[NH+](C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000091474582 193061275 /nfs/dbraw/zinc/06/12/75/193061275.db2.gz MCCZHDHIFYMXHA-CQSZACIVSA-N 3 2 301.500 1.252 10 0 DDAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697651 193292783 /nfs/dbraw/zinc/29/27/83/193292783.db2.gz LUZJRUZJOZPMAY-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP CCC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093697651 193292784 /nfs/dbraw/zinc/29/27/84/193292784.db2.gz LUZJRUZJOZPMAY-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP C[C@H]1C[N@H+](CC(=O)NC(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342233 193362395 /nfs/dbraw/zinc/36/23/95/193362395.db2.gz GEURYOZUGLPQCP-GWCFXTLKSA-N 2 2 309.797 1.266 10 0 DDAELP C[C@H]1C[N@@H+](CC(=O)NC(=O)c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000094342233 193362397 /nfs/dbraw/zinc/36/23/97/193362397.db2.gz GEURYOZUGLPQCP-GWCFXTLKSA-N 2 2 309.797 1.266 10 0 DDAELP CC[N@@H+]1CCO[C@H](COc2c(F)cc(C[NH2+]C)cc2F)C1 ZINC000094346733 193363031 /nfs/dbraw/zinc/36/30/31/193363031.db2.gz JTCMYSUTIQCOIA-LBPRGKRZSA-N 2 2 300.349 1.784 10 0 DDAELP CC[N@H+]1CCO[C@H](COc2c(F)cc(C[NH2+]C)cc2F)C1 ZINC000094346733 193363033 /nfs/dbraw/zinc/36/30/33/193363033.db2.gz JTCMYSUTIQCOIA-LBPRGKRZSA-N 2 2 300.349 1.784 10 0 DDAELP CC(C)[NH2+]CCCCS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094445200 193372118 /nfs/dbraw/zinc/37/21/18/193372118.db2.gz JLQLOTFSEHBMKT-OAHLLOKOSA-N 2 2 317.499 1.265 10 0 DDAELP CC(C)[NH2+]CCCCS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094445200 193372119 /nfs/dbraw/zinc/37/21/19/193372119.db2.gz JLQLOTFSEHBMKT-OAHLLOKOSA-N 2 2 317.499 1.265 10 0 DDAELP [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508545 193375502 /nfs/dbraw/zinc/37/55/02/193375502.db2.gz KATIKNMQBCQKEE-KGLIPLIRSA-N 2 2 300.233 1.863 10 0 DDAELP C[NH2+][C@H](Cc1ccccc1Br)[C@H]1C[NH+]2CCN1CC2 ZINC000094509408 193376224 /nfs/dbraw/zinc/37/62/24/193376224.db2.gz DCOKEKGVJNEKNJ-HUUCEWRRSA-N 2 2 324.266 1.579 10 0 DDAELP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(C)c3C)C2)C1 ZINC000019299793 182113463 /nfs/dbraw/zinc/11/34/63/182113463.db2.gz ORELIGGPVYBVFF-QGZVFWFLSA-N 2 2 306.454 1.663 10 0 DDAELP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(C)c3C)C2)C1 ZINC000019299793 182113464 /nfs/dbraw/zinc/11/34/64/182113464.db2.gz ORELIGGPVYBVFF-QGZVFWFLSA-N 2 2 306.454 1.663 10 0 DDAELP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(C)c3C)C2)C1 ZINC000019299793 182113465 /nfs/dbraw/zinc/11/34/65/182113465.db2.gz ORELIGGPVYBVFF-QGZVFWFLSA-N 2 2 306.454 1.663 10 0 DDAELP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(C)c3C)C2)C1 ZINC000019299793 182113466 /nfs/dbraw/zinc/11/34/66/182113466.db2.gz ORELIGGPVYBVFF-QGZVFWFLSA-N 2 2 306.454 1.663 10 0 DDAELP CCC[N@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)CCN(C)C ZINC000041675160 183215178 /nfs/dbraw/zinc/21/51/78/183215178.db2.gz ZGUAWHVOQLBRHN-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP CCC[N@@H+](CCCC[C@](C)([NH2+]C)C(=O)OC)CCN(C)C ZINC000041675160 183215179 /nfs/dbraw/zinc/21/51/79/183215179.db2.gz ZGUAWHVOQLBRHN-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105142966 194079339 /nfs/dbraw/zinc/07/93/39/194079339.db2.gz POQJGAPNTIJCTQ-HNNXBMFYSA-N 2 2 317.437 1.763 10 0 DDAELP O=C(NCCCNc1cccc[nH+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105142966 194079341 /nfs/dbraw/zinc/07/93/41/194079341.db2.gz POQJGAPNTIJCTQ-HNNXBMFYSA-N 2 2 317.437 1.763 10 0 DDAELP C[NH+](C)C[C@@H]1CCCN1Cc1nc2sccc2c(NN)[nH+]1 ZINC000061653314 184180915 /nfs/dbraw/zinc/18/09/15/184180915.db2.gz CDCNYDHFDPZALG-JTQLQIEISA-N 2 2 306.439 1.503 10 0 DDAELP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503718361 257208858 /nfs/dbraw/zinc/20/88/58/257208858.db2.gz RZIWOBNTOHIAOJ-RDJZCZTQSA-N 2 2 308.397 1.605 10 0 DDAELP COCC[N@H+]1CCO[C@H]2C[NH+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503718361 257208859 /nfs/dbraw/zinc/20/88/59/257208859.db2.gz RZIWOBNTOHIAOJ-RDJZCZTQSA-N 2 2 308.397 1.605 10 0 DDAELP COCC[NH+]1CCO[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000503718361 257208862 /nfs/dbraw/zinc/20/88/62/257208862.db2.gz RZIWOBNTOHIAOJ-RDJZCZTQSA-N 2 2 308.397 1.605 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261616123 407553811 /nfs/dbraw/zinc/55/38/11/407553811.db2.gz FTLRDHDJHMTYMN-YUTCNCBUSA-N 2 2 308.451 1.685 10 0 DDAELP CCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261616123 407553817 /nfs/dbraw/zinc/55/38/17/407553817.db2.gz FTLRDHDJHMTYMN-YUTCNCBUSA-N 2 2 308.451 1.685 10 0 DDAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccncc1 ZINC000171057824 407580488 /nfs/dbraw/zinc/58/04/88/407580488.db2.gz RJIDSHBYOZMKGM-AWEZNQCLSA-N 2 2 311.389 1.849 10 0 DDAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccncc1 ZINC000171057824 407580497 /nfs/dbraw/zinc/58/04/97/407580497.db2.gz RJIDSHBYOZMKGM-AWEZNQCLSA-N 2 2 311.389 1.849 10 0 DDAELP C[N@H+](CC(=O)N1CCc2sccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000231669588 407699286 /nfs/dbraw/zinc/69/92/86/407699286.db2.gz ZLTGPPIHDIPRQH-AWEZNQCLSA-N 2 2 307.463 1.707 10 0 DDAELP C[N@@H+](CC(=O)N1CCc2sccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000231669588 407699291 /nfs/dbraw/zinc/69/92/91/407699291.db2.gz ZLTGPPIHDIPRQH-AWEZNQCLSA-N 2 2 307.463 1.707 10 0 DDAELP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c2cccc(F)c2[nH+]1 ZINC000153023166 407737695 /nfs/dbraw/zinc/73/76/95/407737695.db2.gz JWAYCHDTOHWNPA-ZDUSSCGKSA-N 2 2 319.380 1.787 10 0 DDAELP CCOCC[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1CC ZINC000117021881 407805727 /nfs/dbraw/zinc/80/57/27/407805727.db2.gz JJSVFHOEVBXKSG-HNNXBMFYSA-N 2 2 323.441 1.025 10 0 DDAELP CCOCC[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1CC ZINC000117021881 407805730 /nfs/dbraw/zinc/80/57/30/407805730.db2.gz JJSVFHOEVBXKSG-HNNXBMFYSA-N 2 2 323.441 1.025 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000173663499 407893659 /nfs/dbraw/zinc/89/36/59/407893659.db2.gz XKDBOHGZEUUKQS-HZPDHXFCSA-N 2 2 311.470 1.430 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000173663499 407893666 /nfs/dbraw/zinc/89/36/66/407893666.db2.gz XKDBOHGZEUUKQS-HZPDHXFCSA-N 2 2 311.470 1.430 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126802 408032155 /nfs/dbraw/zinc/03/21/55/408032155.db2.gz BJDRZEURLFVOEM-VDHUWJSZSA-N 3 2 303.450 1.209 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126802 408032163 /nfs/dbraw/zinc/03/21/63/408032163.db2.gz BJDRZEURLFVOEM-VDHUWJSZSA-N 3 2 303.450 1.209 10 0 DDAELP CC[N@@H+]1CCO[C@@H](C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000174816710 407994469 /nfs/dbraw/zinc/99/44/69/407994469.db2.gz ULTKYYRMYHUPBQ-OAHLLOKOSA-N 2 2 320.437 1.149 10 0 DDAELP CC[N@H+]1CCO[C@@H](C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000174816710 407994474 /nfs/dbraw/zinc/99/44/74/407994474.db2.gz ULTKYYRMYHUPBQ-OAHLLOKOSA-N 2 2 320.437 1.149 10 0 DDAELP CCC[C@H](C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)[NH+](C)C ZINC000154818921 408093025 /nfs/dbraw/zinc/09/30/25/408093025.db2.gz ILOSPCMBWCAHIJ-OAHLLOKOSA-N 2 2 324.494 1.826 10 0 DDAELP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000190165066 163130456 /nfs/dbraw/zinc/13/04/56/163130456.db2.gz LBXDEDDEYUUOJM-HNNXBMFYSA-N 2 2 314.474 1.080 10 0 DDAELP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000190165066 163130461 /nfs/dbraw/zinc/13/04/61/163130461.db2.gz LBXDEDDEYUUOJM-HNNXBMFYSA-N 2 2 314.474 1.080 10 0 DDAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195051220 163303771 /nfs/dbraw/zinc/30/37/71/163303771.db2.gz KOLPSHNEYBVDDN-OAHLLOKOSA-N 2 2 311.389 1.578 10 0 DDAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195051220 163303775 /nfs/dbraw/zinc/30/37/75/163303775.db2.gz KOLPSHNEYBVDDN-OAHLLOKOSA-N 2 2 311.389 1.578 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616611382 422515323 /nfs/dbraw/zinc/51/53/23/422515323.db2.gz DLWJNSFFGZONKM-CYBMUJFWSA-N 2 2 306.410 1.978 10 0 DDAELP CC(C)(C)OC(=O)NCC[N@H+]1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616611382 422515329 /nfs/dbraw/zinc/51/53/29/422515329.db2.gz DLWJNSFFGZONKM-CYBMUJFWSA-N 2 2 306.410 1.978 10 0 DDAELP CN1C[C@H](C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000658244267 424617484 /nfs/dbraw/zinc/61/74/84/424617484.db2.gz LAAXBAPNTKCTOO-DLBZAZTESA-N 2 2 301.434 1.719 10 0 DDAELP CN1C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000658244267 424617488 /nfs/dbraw/zinc/61/74/88/424617488.db2.gz LAAXBAPNTKCTOO-DLBZAZTESA-N 2 2 301.434 1.719 10 0 DDAELP CO[C@@H]1C[NH2+][C@H](C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000886035079 708686171 /nfs/dbraw/zinc/68/61/71/708686171.db2.gz ZNHNKIRGRKQNSZ-IRXDYDNUSA-N 2 2 317.433 1.016 10 0 DDAELP COc1ccccc1[C@@H]1CN(C(=O)/C=C\C[NH+](C)C)CC[NH2+]1 ZINC000886039496 708686726 /nfs/dbraw/zinc/68/67/26/708686726.db2.gz LFACYTWSSKTAIT-AJHXJQRKSA-N 2 2 303.406 1.286 10 0 DDAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000248648797 282096544 /nfs/dbraw/zinc/09/65/44/282096544.db2.gz KEVDNLZPCLDULB-STQMWFEESA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000248648797 282096546 /nfs/dbraw/zinc/09/65/46/282096546.db2.gz KEVDNLZPCLDULB-STQMWFEESA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000248648797 282096547 /nfs/dbraw/zinc/09/65/47/282096547.db2.gz KEVDNLZPCLDULB-STQMWFEESA-N 2 2 308.451 1.094 10 0 DDAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000248648797 282096548 /nfs/dbraw/zinc/09/65/48/282096548.db2.gz KEVDNLZPCLDULB-STQMWFEESA-N 2 2 308.451 1.094 10 0 DDAELP CC[C@@H](C[NH3+])S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000088471865 185251983 /nfs/dbraw/zinc/25/19/83/185251983.db2.gz UHMVMFOAONSFTB-LSDHHAIUSA-N 2 2 311.451 1.042 10 0 DDAELP CC[C@@H](C[NH3+])S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000088471865 185251984 /nfs/dbraw/zinc/25/19/84/185251984.db2.gz UHMVMFOAONSFTB-LSDHHAIUSA-N 2 2 311.451 1.042 10 0 DDAELP C[C@]1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC[NH2+]1 ZINC000136196420 354116971 /nfs/dbraw/zinc/11/69/71/354116971.db2.gz HWGZGYUQBIIZPI-MRXNPFEDSA-N 2 2 307.463 1.925 10 0 DDAELP C[N@@H+]1CCO[C@@H](CN(CC(N)=O)Cc2c[nH+]c3ccccn23)C1 ZINC000328650286 354559106 /nfs/dbraw/zinc/55/91/06/354559106.db2.gz VNMJGTUYUFYJAZ-CQSZACIVSA-N 2 2 317.393 1.002 10 0 DDAELP C[N@H+]1CCO[C@@H](CN(CC(N)=O)Cc2c[nH+]c3ccccn23)C1 ZINC000328650286 354559108 /nfs/dbraw/zinc/55/91/08/354559108.db2.gz VNMJGTUYUFYJAZ-CQSZACIVSA-N 2 2 317.393 1.002 10 0 DDAELP C[C@H](C[NH3+])C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586155 192296793 /nfs/dbraw/zinc/29/67/93/192296793.db2.gz MVARVDCOHBSNEY-SNVBAGLBSA-N 2 2 303.332 1.212 10 0 DDAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237050265 202135581 /nfs/dbraw/zinc/13/55/81/202135581.db2.gz GHCABOYMTPOXCS-XJKSGUPXSA-N 2 2 305.422 1.410 10 0 DDAELP CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250728 201365723 /nfs/dbraw/zinc/36/57/23/201365723.db2.gz YRZWATUYWOFNMA-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250728 201365726 /nfs/dbraw/zinc/36/57/26/201365726.db2.gz YRZWATUYWOFNMA-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP CCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250728 201365728 /nfs/dbraw/zinc/36/57/28/201365728.db2.gz YRZWATUYWOFNMA-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP CCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250728 201365731 /nfs/dbraw/zinc/36/57/31/201365731.db2.gz YRZWATUYWOFNMA-AWEZNQCLSA-N 2 2 324.494 1.731 10 0 DDAELP C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)S1 ZINC000262354048 203270667 /nfs/dbraw/zinc/27/06/67/203270667.db2.gz ZJWGENYCIQYZPP-LBPRGKRZSA-N 2 2 318.446 1.394 10 0 DDAELP C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(C)(C)C[NH3+] ZINC000093874406 193322246 /nfs/dbraw/zinc/32/22/46/193322246.db2.gz VPEMELKXTKUDGA-UHFFFAOYSA-N 2 2 303.328 1.959 10 0 DDAELP C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(C)(C)C[NH3+] ZINC000093874406 193322247 /nfs/dbraw/zinc/32/22/47/193322247.db2.gz VPEMELKXTKUDGA-UHFFFAOYSA-N 2 2 303.328 1.959 10 0 DDAELP CCC[N@@H+]1CCO[C@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093920048 193328647 /nfs/dbraw/zinc/32/86/47/193328647.db2.gz IRORRYDTYYMFFN-OCCSQVGLSA-N 2 2 314.861 1.623 10 0 DDAELP CCC[N@H+]1CCO[C@H]([C@@H](Cc2c(Cl)c(C)nn2C)[NH2+]C)C1 ZINC000093920048 193328649 /nfs/dbraw/zinc/32/86/49/193328649.db2.gz IRORRYDTYYMFFN-OCCSQVGLSA-N 2 2 314.861 1.623 10 0 DDAELP [NH3+][C@H]([C@H]1CCOC2(CCSCC2)C1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094508619 193375438 /nfs/dbraw/zinc/37/54/38/193375438.db2.gz DLPNZLWSYCAMMQ-SOUVJXGZSA-N 2 2 311.495 1.006 10 0 DDAELP [NH3+]CCc1cn(CC(=O)Nc2ccccc2Br)c[nH+]1 ZINC000094529557 193376371 /nfs/dbraw/zinc/37/63/71/193376371.db2.gz BQHGJIINHLIMDC-UHFFFAOYSA-N 2 2 323.194 1.786 10 0 DDAELP CN(c1ccccc1)c1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040756832 183129648 /nfs/dbraw/zinc/12/96/48/183129648.db2.gz REPIUDTXLQCPSG-UHFFFAOYSA-N 2 2 313.409 1.401 10 0 DDAELP COCC[N@H+](C)CC[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000061378512 184169366 /nfs/dbraw/zinc/16/93/66/184169366.db2.gz SHRUFJTYPMOKJG-PCKAHOCUSA-N 2 2 302.459 1.110 10 0 DDAELP COCC[N@@H+](C)CC[NH2+]C[C@H](O)COC1CCC(C)CC1 ZINC000061378512 184169367 /nfs/dbraw/zinc/16/93/67/184169367.db2.gz SHRUFJTYPMOKJG-PCKAHOCUSA-N 2 2 302.459 1.110 10 0 DDAELP Cc1cc(CC(=O)N2C[C@H](C)[NH+](CCC[NH+](C)C)[C@@H](C)C2)no1 ZINC000062454837 184237552 /nfs/dbraw/zinc/23/75/52/184237552.db2.gz AHEHYZRZPMYBKS-KBPBESRZSA-N 2 2 322.453 1.398 10 0 DDAELP CC[C@]1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]C1 ZINC000062894719 184258846 /nfs/dbraw/zinc/25/88/46/184258846.db2.gz SQAHKPGUSHWDBA-INIZCTEOSA-N 2 2 307.463 1.782 10 0 DDAELP C[N@H+](CC(=O)NC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863043 407356522 /nfs/dbraw/zinc/35/65/22/407356522.db2.gz VVPUOFZEYUEHPR-UHFFFAOYSA-N 2 2 321.469 1.194 10 0 DDAELP C[N@@H+](CC(=O)NC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863043 407356523 /nfs/dbraw/zinc/35/65/23/407356523.db2.gz VVPUOFZEYUEHPR-UHFFFAOYSA-N 2 2 321.469 1.194 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000109329480 407396719 /nfs/dbraw/zinc/39/67/19/407396719.db2.gz APUYCMAAACUNGJ-CYBMUJFWSA-N 2 2 314.455 1.022 10 0 DDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000109329480 407396720 /nfs/dbraw/zinc/39/67/20/407396720.db2.gz APUYCMAAACUNGJ-CYBMUJFWSA-N 2 2 314.455 1.022 10 0 DDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000113591328 407518766 /nfs/dbraw/zinc/51/87/66/407518766.db2.gz IDZVVEYQKFHCNZ-UKRRQHHQSA-N 2 2 317.437 1.526 10 0 DDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000113591328 407518769 /nfs/dbraw/zinc/51/87/69/407518769.db2.gz IDZVVEYQKFHCNZ-UKRRQHHQSA-N 2 2 317.437 1.526 10 0 DDAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)s1 ZINC000178883995 407640624 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CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccnn2C)nc[nH+]1 ZINC000192982746 408679218 /nfs/dbraw/zinc/67/92/18/408679218.db2.gz JIYLXTFCQAKJHT-STQMWFEESA-N 2 2 315.425 1.571 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000249042425 408680606 /nfs/dbraw/zinc/68/06/06/408680606.db2.gz VEPSMRLGHYUILY-LESCRADOSA-N 2 2 319.449 1.164 10 0 DDAELP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000249042425 408680609 /nfs/dbraw/zinc/68/06/09/408680609.db2.gz VEPSMRLGHYUILY-LESCRADOSA-N 2 2 319.449 1.164 10 0 DDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)c[nH+]1 ZINC000185224105 408782949 /nfs/dbraw/zinc/78/29/49/408782949.db2.gz CLYKFLRVJRNEIN-QGZVFWFLSA-N 2 2 323.404 1.583 10 0 DDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)c[nH+]1 ZINC000185224105 408782951 /nfs/dbraw/zinc/78/29/51/408782951.db2.gz CLYKFLRVJRNEIN-QGZVFWFLSA-N 2 2 323.404 1.583 10 0 DDAELP CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178288923 408798165 /nfs/dbraw/zinc/79/81/65/408798165.db2.gz HOWDCESLMNETCS-DGCLKSJQSA-N 2 2 305.382 1.947 10 0 DDAELP CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178288923 408798168 /nfs/dbraw/zinc/79/81/68/408798168.db2.gz HOWDCESLMNETCS-DGCLKSJQSA-N 2 2 305.382 1.947 10 0 DDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177972871 408748453 /nfs/dbraw/zinc/74/84/53/408748453.db2.gz DBNNKNLCQXUOTP-HIFRSBDPSA-N 2 2 315.421 1.862 10 0 DDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177972871 408748456 /nfs/dbraw/zinc/74/84/56/408748456.db2.gz DBNNKNLCQXUOTP-HIFRSBDPSA-N 2 2 315.421 1.862 10 0 DDAELP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282665 222196492 /nfs/dbraw/zinc/19/64/92/222196492.db2.gz HXDCVDMRVHZGGQ-GDBMZVCRSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195282665 222196493 /nfs/dbraw/zinc/19/64/93/222196493.db2.gz HXDCVDMRVHZGGQ-GDBMZVCRSA-N 2 2 304.438 1.312 10 0 DDAELP C[C@H](C(=O)N(C)C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195282665 222196499 /nfs/dbraw/zinc/19/64/99/222196499.db2.gz HXDCVDMRVHZGGQ-GDBMZVCRSA-N 2 2 304.438 1.312 10 0 DDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000312008709 418591035 /nfs/dbraw/zinc/59/10/35/418591035.db2.gz IIMPYBXROSBYMN-DLBZAZTESA-N 2 2 319.449 1.377 10 0 DDAELP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000312008709 418591038 /nfs/dbraw/zinc/59/10/38/418591038.db2.gz IIMPYBXROSBYMN-DLBZAZTESA-N 2 2 319.449 1.377 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000261965903 278209285 /nfs/dbraw/zinc/20/92/85/278209285.db2.gz PZJNXKNCVXDKTE-UYTYNIKBSA-N 3 2 309.498 1.854 10 0 DDAELP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000261965903 278209287 /nfs/dbraw/zinc/20/92/87/278209287.db2.gz PZJNXKNCVXDKTE-UYTYNIKBSA-N 3 2 309.498 1.854 10 0 DDAELP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333023274 298313699 /nfs/dbraw/zinc/31/36/99/298313699.db2.gz FFPVWKPSEGSXNS-XHSDSOJGSA-N 2 2 317.437 1.684 10 0 DDAELP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333023274 298313701 /nfs/dbraw/zinc/31/37/01/298313701.db2.gz FFPVWKPSEGSXNS-XHSDSOJGSA-N 2 2 317.437 1.684 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000262130917 484263538 /nfs/dbraw/zinc/26/35/38/484263538.db2.gz NXASKKLNIIABJX-ONGXEEELSA-N 2 2 306.740 1.611 10 0 DDAELP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000229873310 697780286 /nfs/dbraw/zinc/78/02/86/697780286.db2.gz ANDUKEHEVFLGCI-GNJLHFKMSA-N 2 2 313.445 1.844 10 0 DDAELP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCOCC1 ZINC000261947261 698446638 /nfs/dbraw/zinc/44/66/38/698446638.db2.gz YLZVESCMSZXUQA-UHFFFAOYSA-N 2 2 318.421 1.196 10 0 DDAELP Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCN1C ZINC000328618004 354547773 /nfs/dbraw/zinc/54/77/73/354547773.db2.gz DGRCGYNRGRSKLJ-HNNXBMFYSA-N 2 2 324.388 1.197 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123386 199119859 /nfs/dbraw/zinc/11/98/59/199119859.db2.gz FHTQXOFUEPDQGI-HNNXBMFYSA-N 2 2 315.421 1.886 10 0 DDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000180123386 199119860 /nfs/dbraw/zinc/11/98/60/199119860.db2.gz FHTQXOFUEPDQGI-HNNXBMFYSA-N 2 2 315.421 1.886 10 0 DDAELP [NH3+]C[C@H](c1cc(Cl)cs1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000093095861 193203628 /nfs/dbraw/zinc/20/36/28/193203628.db2.gz IAFZDCUQHUPHIB-QWHCGFSZSA-N 2 2 315.870 1.808 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093913757 193327231 /nfs/dbraw/zinc/32/72/31/193327231.db2.gz INRSKHNWJLYGLJ-GWCFXTLKSA-N 2 2 300.834 1.226 10 0 DDAELP CCc1nn(C)c(C[C@H]([NH3+])[C@@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093913757 193327233 /nfs/dbraw/zinc/32/72/33/193327233.db2.gz INRSKHNWJLYGLJ-GWCFXTLKSA-N 2 2 300.834 1.226 10 0 DDAELP C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[N@H+](C)CCN1C ZINC000094257036 193355571 /nfs/dbraw/zinc/35/55/71/193355571.db2.gz GGMBTZGMPLWENA-QWHCGFSZSA-N 2 2 310.511 1.817 10 0 DDAELP C[NH2+][C@@H](Cc1nc(C(C)(C)C)cs1)[C@H]1C[N@@H+](C)CCN1C ZINC000094257036 193355572 /nfs/dbraw/zinc/35/55/72/193355572.db2.gz GGMBTZGMPLWENA-QWHCGFSZSA-N 2 2 310.511 1.817 10 0 DDAELP [NH3+]Cc1nc([C@@H]2C[NH+]3CCN2CC3)sc1-c1ccccc1 ZINC000094511378 193376199 /nfs/dbraw/zinc/37/61/99/193376199.db2.gz IBXMKUWMIGBARD-AWEZNQCLSA-N 2 2 300.431 1.941 10 0 DDAELP COc1ccc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1Br ZINC000020967653 182256891 /nfs/dbraw/zinc/25/68/91/182256891.db2.gz LKSVYICHSSIFQR-JTQLQIEISA-N 2 2 317.227 1.518 10 0 DDAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000040638806 183113217 /nfs/dbraw/zinc/11/32/17/183113217.db2.gz KHFOFZVFGAOUKO-GFCCVEGCSA-N 2 2 307.419 1.717 10 0 DDAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CC[NH+](CCO)CC1 ZINC000043252740 183347261 /nfs/dbraw/zinc/34/72/61/183347261.db2.gz QWQORGXUZAJWAA-RISCZKNCSA-N 2 2 317.886 1.790 10 0 DDAELP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110763497 194356253 /nfs/dbraw/zinc/35/62/53/194356253.db2.gz FCNXREIVJCGGJI-GFCCVEGCSA-N 2 2 311.451 1.421 10 0 DDAELP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110763497 194356255 /nfs/dbraw/zinc/35/62/55/194356255.db2.gz FCNXREIVJCGGJI-GFCCVEGCSA-N 2 2 311.451 1.421 10 0 DDAELP [NH3+]C[C@H](C[NH+]1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061940933 184197234 /nfs/dbraw/zinc/19/72/34/184197234.db2.gz CEQWALHCPNIAJQ-CQSZACIVSA-N 2 2 301.356 1.909 10 0 DDAELP [NH3+]C[C@@H](C[NH+]1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000061940932 184197479 /nfs/dbraw/zinc/19/74/79/184197479.db2.gz CEQWALHCPNIAJQ-AWEZNQCLSA-N 2 2 301.356 1.909 10 0 DDAELP C[NH2+]Cc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)oc1C ZINC000061948295 184197936 /nfs/dbraw/zinc/19/79/36/184197936.db2.gz DZIWONUSWPLTTK-UHFFFAOYSA-N 2 2 305.344 1.987 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000121678533 195328725 /nfs/dbraw/zinc/32/87/25/195328725.db2.gz PPOSNDDWHIZYSG-AWEZNQCLSA-N 2 2 301.394 1.914 10 0 DDAELP CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000121678533 195328726 /nfs/dbraw/zinc/32/87/26/195328726.db2.gz PPOSNDDWHIZYSG-AWEZNQCLSA-N 2 2 301.394 1.914 10 0 DDAELP NC(=O)C[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000090802996 407171548 /nfs/dbraw/zinc/17/15/48/407171548.db2.gz NAUWSEWEBYCHFO-UHFFFAOYSA-N 2 2 302.300 1.462 10 0 DDAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)[nH+]1 ZINC000103142174 407332580 /nfs/dbraw/zinc/33/25/80/407332580.db2.gz NQKOYNLBDKFJIK-AWEZNQCLSA-N 2 2 311.451 1.559 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122668190 407308065 /nfs/dbraw/zinc/30/80/65/407308065.db2.gz DVVPKSVEKGRKMO-INIZCTEOSA-N 2 2 303.410 1.569 10 0 DDAELP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122668190 407308066 /nfs/dbraw/zinc/30/80/66/407308066.db2.gz DVVPKSVEKGRKMO-INIZCTEOSA-N 2 2 303.410 1.569 10 0 DDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000113591331 407519029 /nfs/dbraw/zinc/51/90/29/407519029.db2.gz IDZVVEYQKFHCNZ-DZGCQCFKSA-N 2 2 317.437 1.526 10 0 DDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000113591331 407519033 /nfs/dbraw/zinc/51/90/33/407519033.db2.gz IDZVVEYQKFHCNZ-DZGCQCFKSA-N 2 2 317.437 1.526 10 0 DDAELP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc2n1CCCC2 ZINC000261896685 407659938 /nfs/dbraw/zinc/65/99/38/407659938.db2.gz HDYRHQHBHIDXLV-ARFHVFGLSA-N 2 2 304.438 1.466 10 0 DDAELP c1c(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[nH+]c2n1CCCC2 ZINC000261896685 407659942 /nfs/dbraw/zinc/65/99/42/407659942.db2.gz HDYRHQHBHIDXLV-ARFHVFGLSA-N 2 2 304.438 1.466 10 0 DDAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261976435 407698599 /nfs/dbraw/zinc/69/85/99/407698599.db2.gz ITPSFGNIRRVLOQ-ABAIWWIYSA-N 2 2 308.426 1.231 10 0 DDAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261976435 407698607 /nfs/dbraw/zinc/69/86/07/407698607.db2.gz ITPSFGNIRRVLOQ-ABAIWWIYSA-N 2 2 308.426 1.231 10 0 DDAELP CCc1nnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1C ZINC000171614814 407720903 /nfs/dbraw/zinc/72/09/03/407720903.db2.gz OAYHLRRWPYXAPQ-CYBMUJFWSA-N 2 2 302.426 1.974 10 0 DDAELP CCc1nnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)n1C ZINC000171614814 407720909 /nfs/dbraw/zinc/72/09/09/407720909.db2.gz OAYHLRRWPYXAPQ-CYBMUJFWSA-N 2 2 302.426 1.974 10 0 DDAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]([NH3+])COC ZINC000262328197 407801625 /nfs/dbraw/zinc/80/16/25/407801625.db2.gz RIJYEFMKFAKJBG-OAHLLOKOSA-N 2 2 320.437 1.120 10 0 DDAELP CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000118856894 407952828 /nfs/dbraw/zinc/95/28/28/407952828.db2.gz ZKGGPEIVYOEQBD-GOSISDBHSA-N 2 2 314.433 1.761 10 0 DDAELP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263017091 408003104 /nfs/dbraw/zinc/00/31/04/408003104.db2.gz QLVLFIOITCHCNL-HUUCEWRRSA-N 2 2 323.387 1.764 10 0 DDAELP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263017091 408003110 /nfs/dbraw/zinc/00/31/10/408003110.db2.gz QLVLFIOITCHCNL-HUUCEWRRSA-N 2 2 323.387 1.764 10 0 DDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000263191644 408053344 /nfs/dbraw/zinc/05/33/44/408053344.db2.gz HZAJDVVXYMJJAC-WBMJQRKESA-N 2 2 309.841 1.610 10 0 DDAELP Cc1cccn2c(CN3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c[nH+]c12 ZINC000245788122 408068371 /nfs/dbraw/zinc/06/83/71/408068371.db2.gz VOXCFQMRKMFKHI-CABCVRRESA-N 2 2 302.422 1.530 10 0 DDAELP Cc1cccn2c(CN3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c[nH+]c12 ZINC000245788122 408068373 /nfs/dbraw/zinc/06/83/73/408068373.db2.gz VOXCFQMRKMFKHI-CABCVRRESA-N 2 2 302.422 1.530 10 0 DDAELP CCOCC[N@@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@@H]1C ZINC000119535106 408088988 /nfs/dbraw/zinc/08/89/88/408088988.db2.gz CYHLINUWABWNDW-AWEZNQCLSA-N 2 2 319.453 1.846 10 0 DDAELP CCOCC[N@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@@H]1C ZINC000119535106 408088994 /nfs/dbraw/zinc/08/89/94/408088994.db2.gz CYHLINUWABWNDW-AWEZNQCLSA-N 2 2 319.453 1.846 10 0 DDAELP Cc1nn(C)c(C)c1CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182756006 408242523 /nfs/dbraw/zinc/24/25/23/408242523.db2.gz FKJYZERFBTXEIN-UHFFFAOYSA-N 2 2 316.453 1.441 10 0 DDAELP CC(C)OC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173682950 162358455 /nfs/dbraw/zinc/35/84/55/162358455.db2.gz ZTHUKWYLILRQLG-UHFFFAOYSA-N 2 2 322.453 1.621 10 0 DDAELP CC(C)OC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173682950 162358457 /nfs/dbraw/zinc/35/84/57/162358457.db2.gz ZTHUKWYLILRQLG-UHFFFAOYSA-N 2 2 322.453 1.621 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1C[C@H](C)O ZINC000247694999 408503887 /nfs/dbraw/zinc/50/38/87/408503887.db2.gz TVGNKFQDWYBJQL-LSDHHAIUSA-N 2 2 302.422 1.611 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1C[C@H](C)O ZINC000247694999 408503888 /nfs/dbraw/zinc/50/38/88/408503888.db2.gz TVGNKFQDWYBJQL-LSDHHAIUSA-N 2 2 302.422 1.611 10 0 DDAELP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000177129787 408526714 /nfs/dbraw/zinc/52/67/14/408526714.db2.gz XRNPAGGHQUGKDL-LSDHHAIUSA-N 2 2 315.421 1.154 10 0 DDAELP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000177129787 408526716 /nfs/dbraw/zinc/52/67/16/408526716.db2.gz XRNPAGGHQUGKDL-LSDHHAIUSA-N 2 2 315.421 1.154 10 0 DDAELP Cn1cc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cn1 ZINC000177189433 408547037 /nfs/dbraw/zinc/54/70/37/408547037.db2.gz MEAKTZOEXSJRCX-OAHLLOKOSA-N 2 2 308.389 1.990 10 0 DDAELP Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cn1 ZINC000177189433 408547042 /nfs/dbraw/zinc/54/70/42/408547042.db2.gz MEAKTZOEXSJRCX-OAHLLOKOSA-N 2 2 308.389 1.990 10 0 DDAELP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177561603 408656567 /nfs/dbraw/zinc/65/65/67/408656567.db2.gz BDXDURKGKDRGOW-OAHLLOKOSA-N 2 2 323.441 1.025 10 0 DDAELP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177561603 408656574 /nfs/dbraw/zinc/65/65/74/408656574.db2.gz BDXDURKGKDRGOW-OAHLLOKOSA-N 2 2 323.441 1.025 10 0 DDAELP Cn1nncc1C[N@@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328629007 418606390 /nfs/dbraw/zinc/60/63/90/418606390.db2.gz HTFVXAFPLUUWGC-LBPRGKRZSA-N 2 2 301.398 1.259 10 0 DDAELP Cn1nncc1C[N@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)CC1 ZINC000328629007 418606392 /nfs/dbraw/zinc/60/63/92/418606392.db2.gz HTFVXAFPLUUWGC-LBPRGKRZSA-N 2 2 301.398 1.259 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973366 227289238 /nfs/dbraw/zinc/28/92/38/227289238.db2.gz BVQVXXDVTKRSHO-CGTJXYLNSA-N 3 2 303.450 1.211 10 0 DDAELP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973366 227289242 /nfs/dbraw/zinc/28/92/42/227289242.db2.gz BVQVXXDVTKRSHO-CGTJXYLNSA-N 3 2 303.450 1.211 10 0 DDAELP C[NH+]1CCC([N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)CC1 ZINC000077266488 483962622 /nfs/dbraw/zinc/96/26/22/483962622.db2.gz KZRZAZOLLPWOIF-QGZVFWFLSA-N 2 2 314.433 1.707 10 0 DDAELP C[NH+]1CCC([N@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)CC1 ZINC000077266488 483962627 /nfs/dbraw/zinc/96/26/27/483962627.db2.gz KZRZAZOLLPWOIF-QGZVFWFLSA-N 2 2 314.433 1.707 10 0 DDAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679901 699241788 /nfs/dbraw/zinc/24/17/88/699241788.db2.gz MYABIELBSLOXGJ-GBESFXJTSA-N 2 2 318.461 1.838 10 0 DDAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679901 699241790 /nfs/dbraw/zinc/24/17/90/699241790.db2.gz MYABIELBSLOXGJ-GBESFXJTSA-N 2 2 318.461 1.838 10 0 DDAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679901 699241793 /nfs/dbraw/zinc/24/17/93/699241793.db2.gz MYABIELBSLOXGJ-GBESFXJTSA-N 2 2 318.461 1.838 10 0 DDAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000705679901 699241796 /nfs/dbraw/zinc/24/17/96/699241796.db2.gz MYABIELBSLOXGJ-GBESFXJTSA-N 2 2 318.461 1.838 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000886082534 708695038 /nfs/dbraw/zinc/69/50/38/708695038.db2.gz MAMGINTVSAHDEK-ZNMIVQPWSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000886082534 708695040 /nfs/dbraw/zinc/69/50/40/708695040.db2.gz MAMGINTVSAHDEK-ZNMIVQPWSA-N 2 2 320.437 1.443 10 0 DDAELP C[N@H+](CC1CC1)C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000328633714 354554461 /nfs/dbraw/zinc/55/44/61/354554461.db2.gz MESFYTQAMOYSCV-OAHLLOKOSA-N 2 2 302.422 1.901 10 0 DDAELP C[N@@H+](CC1CC1)C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCO1 ZINC000328633714 354554462 /nfs/dbraw/zinc/55/44/62/354554462.db2.gz MESFYTQAMOYSCV-OAHLLOKOSA-N 2 2 302.422 1.901 10 0 DDAELP COc1c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)nn1C ZINC000180128666 199119955 /nfs/dbraw/zinc/11/99/55/199119955.db2.gz QASIJOSXWCSHEC-CQSZACIVSA-N 2 2 303.410 1.907 10 0 DDAELP COc1c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)nn1C ZINC000180128666 199119957 /nfs/dbraw/zinc/11/99/57/199119957.db2.gz QASIJOSXWCSHEC-CQSZACIVSA-N 2 2 303.410 1.907 10 0 DDAELP Cc1nn(C)c(C[NH2+][C@@H](C)CC[NH+](C)C)c1Br ZINC000089232411 192746301 /nfs/dbraw/zinc/74/63/01/192746301.db2.gz BSTJEGSTLSJFTR-VIFPVBQESA-N 2 2 303.248 1.921 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2C[N@H+](CC)CCO2)c1Cl ZINC000093914018 193328979 /nfs/dbraw/zinc/32/89/79/193328979.db2.gz LWPKPQGSHBZXIC-RISCZKNCSA-N 2 2 314.861 1.709 10 0 DDAELP CCc1nn(CC)c(C[C@@H]([NH3+])[C@@H]2C[N@@H+](CC)CCO2)c1Cl ZINC000093914018 193328981 /nfs/dbraw/zinc/32/89/81/193328981.db2.gz LWPKPQGSHBZXIC-RISCZKNCSA-N 2 2 314.861 1.709 10 0 DDAELP C[NH2+][C@@H](Cc1cccc(Br)c1)[C@H]1C[NH+]2CCN1CC2 ZINC000094509023 193375492 /nfs/dbraw/zinc/37/54/92/193375492.db2.gz YDBKWDKZAPHSMN-LSDHHAIUSA-N 2 2 324.266 1.579 10 0 DDAELP C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000021042263 182263247 /nfs/dbraw/zinc/26/32/47/182263247.db2.gz ZMTMHKVOXBAKTM-TZMCWYRMSA-N 2 2 305.403 1.710 10 0 DDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000333318594 248963948 /nfs/dbraw/zinc/96/39/48/248963948.db2.gz UAAXHCQRIWZYKN-CFVMTHIKSA-N 2 2 312.421 1.770 10 0 DDAELP CCC[NH2+][C@](C)(CCN(CCC)CC[NH+](C)C)C(=O)OC ZINC000041674453 183215686 /nfs/dbraw/zinc/21/56/86/183215686.db2.gz TUILZBKRJSIFHO-MRXNPFEDSA-N 2 2 301.475 1.581 10 0 DDAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000043403627 183358668 /nfs/dbraw/zinc/35/86/68/183358668.db2.gz XXGLJKNBBBUMLL-JTQLQIEISA-N 2 2 301.843 1.654 10 0 DDAELP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000043403627 183358669 /nfs/dbraw/zinc/35/86/69/183358669.db2.gz XXGLJKNBBBUMLL-JTQLQIEISA-N 2 2 301.843 1.654 10 0 DDAELP Cc1cccc(C)c1O[C@H](C)C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000066142987 184392682 /nfs/dbraw/zinc/39/26/82/184392682.db2.gz MQSAVUZOQTWSEF-MRXNPFEDSA-N 2 2 319.449 1.564 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@@H+]1C[C@@H](C)O ZINC000120772035 195235222 /nfs/dbraw/zinc/23/52/22/195235222.db2.gz WBTCOVJQIYXEAB-CVEARBPZSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@H+]1C[C@@H](C)O ZINC000120772035 195235223 /nfs/dbraw/zinc/23/52/23/195235223.db2.gz WBTCOVJQIYXEAB-CVEARBPZSA-N 2 2 316.449 1.920 10 0 DDAELP O[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C[NH+]1CCCCC1 ZINC000126141098 407406388 /nfs/dbraw/zinc/40/63/88/407406388.db2.gz IQUAHVYLTHAXMN-IAGOWNOFSA-N 2 2 314.433 1.936 10 0 DDAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000262364028 407812858 /nfs/dbraw/zinc/81/28/58/407812858.db2.gz VWSSRJAIAWAYCK-IUODEOHRSA-N 2 2 309.385 1.005 10 0 DDAELP COc1cccc(CNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262501528 407849754 /nfs/dbraw/zinc/84/97/54/407849754.db2.gz MCPCDOWDUKLBJE-HNNXBMFYSA-N 2 2 305.422 1.385 10 0 DDAELP COc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262501528 407849760 /nfs/dbraw/zinc/84/97/60/407849760.db2.gz MCPCDOWDUKLBJE-HNNXBMFYSA-N 2 2 305.422 1.385 10 0 DDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000263277531 408087457 /nfs/dbraw/zinc/08/74/57/408087457.db2.gz TUARTZKSRGPDGG-CABZTGNLSA-N 2 2 303.175 1.258 10 0 DDAELP O[C@@H](CNc1cc[nH+]c2ccc(Cl)cc12)C[NH+]1CCOCC1 ZINC000269368033 408286257 /nfs/dbraw/zinc/28/62/57/408286257.db2.gz OPPODYTVHOZLLN-ZDUSSCGKSA-N 2 2 321.808 1.993 10 0 DDAELP COCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000247215146 408430429 /nfs/dbraw/zinc/43/04/29/408430429.db2.gz UXTVBAXNFDSYRR-WBVHZDCISA-N 2 2 319.449 1.468 10 0 DDAELP COCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000247215146 408430435 /nfs/dbraw/zinc/43/04/35/408430435.db2.gz UXTVBAXNFDSYRR-WBVHZDCISA-N 2 2 319.449 1.468 10 0 DDAELP CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000344559365 272059382 /nfs/dbraw/zinc/05/93/82/272059382.db2.gz ZTBZBXHJZXAINQ-HOTGVXAUSA-N 2 2 314.389 1.255 10 0 DDAELP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000344559365 272059383 /nfs/dbraw/zinc/05/93/83/272059383.db2.gz ZTBZBXHJZXAINQ-HOTGVXAUSA-N 2 2 314.389 1.255 10 0 DDAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000182415717 288246464 /nfs/dbraw/zinc/24/64/64/288246464.db2.gz OEQWJNYNKMPGEK-RDBSUJKOSA-N 2 2 323.462 1.378 10 0 DDAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CCO1 ZINC000182415717 288246467 /nfs/dbraw/zinc/24/64/67/288246467.db2.gz OEQWJNYNKMPGEK-RDBSUJKOSA-N 2 2 323.462 1.378 10 0 DDAELP CC[N@@H+]1CCC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246628903 282002961 /nfs/dbraw/zinc/00/29/61/282002961.db2.gz NYDOBOFZJRIMPN-CABCVRRESA-N 2 2 319.453 1.582 10 0 DDAELP CC[N@H+]1CCC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246628903 282002966 /nfs/dbraw/zinc/00/29/66/282002966.db2.gz NYDOBOFZJRIMPN-CABCVRRESA-N 2 2 319.453 1.582 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991895 308207668 /nfs/dbraw/zinc/20/76/68/308207668.db2.gz AXQMOEMXMBAKOB-UHOSZYNNSA-N 3 2 317.477 1.601 10 0 DDAELP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991895 308207669 /nfs/dbraw/zinc/20/76/69/308207669.db2.gz AXQMOEMXMBAKOB-UHOSZYNNSA-N 3 2 317.477 1.601 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000247091219 698361132 /nfs/dbraw/zinc/36/11/32/698361132.db2.gz HPVCGDMWOSTCDU-GJZGRUSLSA-N 2 2 320.437 1.330 10 0 DDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000247091219 698361138 /nfs/dbraw/zinc/36/11/38/698361138.db2.gz HPVCGDMWOSTCDU-GJZGRUSLSA-N 2 2 320.437 1.330 10 0 DDAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COCc1ccccc1 ZINC000717441740 699289015 /nfs/dbraw/zinc/28/90/15/699289015.db2.gz RXJOMGAOTURTIA-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COCc1ccccc1 ZINC000717441740 699289016 /nfs/dbraw/zinc/28/90/16/699289016.db2.gz RXJOMGAOTURTIA-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000717441740 699289017 /nfs/dbraw/zinc/28/90/17/699289017.db2.gz RXJOMGAOTURTIA-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)COCc1ccccc1 ZINC000717441740 699289018 /nfs/dbraw/zinc/28/90/18/699289018.db2.gz RXJOMGAOTURTIA-RCCFBDPRSA-N 2 2 304.434 1.733 10 0 DDAELP Brc1csc(C[NH2+]CC[C@H]2COCC[NH2+]2)c1 ZINC000087511054 185227428 /nfs/dbraw/zinc/22/74/28/185227428.db2.gz FQDXCXNUHINJEP-JTQLQIEISA-N 2 2 305.241 1.979 10 0 DDAELP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000246878505 295752237 /nfs/dbraw/zinc/75/22/37/295752237.db2.gz GKMWVRUCXGKPDK-IKGGRYGDSA-N 2 2 323.481 1.430 10 0 DDAELP Cc1nc(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)cc[nH+]1 ZINC000172756507 198145610 /nfs/dbraw/zinc/14/56/10/198145610.db2.gz RRUYZBNEEFXLBQ-CQSZACIVSA-N 2 2 308.426 1.083 10 0 DDAELP CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NCc2[nH]cc[nH+]2)c1 ZINC000080644798 192176845 /nfs/dbraw/zinc/17/68/45/192176845.db2.gz WVYISGQMSCRPRK-LLVKDONJSA-N 2 2 308.407 1.559 10 0 DDAELP CCOCC[N@@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000245838131 354354866 /nfs/dbraw/zinc/35/48/66/354354866.db2.gz IWAVQOCJXDSABV-OAHLLOKOSA-N 2 2 302.422 1.877 10 0 DDAELP CCOCC[N@H+]1CCN(Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000245838131 354354870 /nfs/dbraw/zinc/35/48/70/354354870.db2.gz IWAVQOCJXDSABV-OAHLLOKOSA-N 2 2 302.422 1.877 10 0 DDAELP CCN1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@H]1c1[nH+]ccn1C ZINC000328643354 354557988 /nfs/dbraw/zinc/55/79/88/354557988.db2.gz YURUDTONSMDRCS-HNNXBMFYSA-N 2 2 319.453 1.110 10 0 DDAELP CCN1CCN(C(=O)C[N@@H+](CC)C2CC2)C[C@H]1c1[nH+]ccn1C ZINC000328643354 354557992 /nfs/dbraw/zinc/55/79/92/354557992.db2.gz YURUDTONSMDRCS-HNNXBMFYSA-N 2 2 319.453 1.110 10 0 DDAELP C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180659850 199192855 /nfs/dbraw/zinc/19/28/55/199192855.db2.gz KIBFORAWDBCHOP-MNOVXSKESA-N 2 2 301.350 1.106 10 0 DDAELP C[C@H]([C@H]1CC[C@@H]([C@H](C)[NH+]2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000039372565 183017628 /nfs/dbraw/zinc/01/76/28/183017628.db2.gz VZXHPXABMPLTJH-GEEKYZPCSA-N 2 2 310.438 1.023 10 0 DDAELP C[NH+]1CCN(Nc2[nH+]cnc(NC3CCCCCC3)c2N)CC1 ZINC000040757037 183129900 /nfs/dbraw/zinc/12/99/00/183129900.db2.gz MXBLTTMTPVWBMK-UHFFFAOYSA-N 2 2 319.457 1.768 10 0 DDAELP CCCN(CC[NH+](C)C)CC[C@](C)([NH2+]CC)C(=O)OCC ZINC000041675012 183215399 /nfs/dbraw/zinc/21/53/99/183215399.db2.gz CFINXQNAUQPBFZ-INIZCTEOSA-N 2 2 301.475 1.581 10 0 DDAELP CCOc1cc([C@H](C[NH3+])[NH2+]CCOC)ccc1OC(F)F ZINC000053255686 183895820 /nfs/dbraw/zinc/89/58/20/183895820.db2.gz MGPILGRMQQPETP-NSHDSACASA-N 2 2 304.337 1.923 10 0 DDAELP CCC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000062096407 184206192 /nfs/dbraw/zinc/20/61/92/184206192.db2.gz IWZORHFNPFTHBL-GJZGRUSLSA-N 2 2 317.499 1.122 10 0 DDAELP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000120856382 195251029 /nfs/dbraw/zinc/25/10/29/195251029.db2.gz ISDFSJXOEVOKBO-HIFRSBDPSA-N 2 2 304.394 1.574 10 0 DDAELP CCOC(=O)CCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863598 407356559 /nfs/dbraw/zinc/35/65/59/407356559.db2.gz FGMHPWAVOFFXCK-UHFFFAOYSA-N 2 2 322.453 1.623 10 0 DDAELP CCOC(=O)CCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863598 407356560 /nfs/dbraw/zinc/35/65/60/407356560.db2.gz FGMHPWAVOFFXCK-UHFFFAOYSA-N 2 2 322.453 1.623 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@]3(C)CC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261953990 407688373 /nfs/dbraw/zinc/68/83/73/407688373.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@]3(C)CC[NH2+]C3)CCC[NH+]2C)cn1 ZINC000261953990 407688377 /nfs/dbraw/zinc/68/83/77/407688377.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@]3(C)CC[NH2+]C3)CCC[N@@H+]2C)cn1 ZINC000261953990 407688384 /nfs/dbraw/zinc/68/83/84/407688384.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 3 2 319.497 1.734 10 0 DDAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@]3(C)CC[NH2+]C3)CCC[N@H+]2C)cn1 ZINC000261953990 407688389 /nfs/dbraw/zinc/68/83/89/407688389.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 3 2 319.497 1.734 10 0 DDAELP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262393435 407823521 /nfs/dbraw/zinc/82/35/21/407823521.db2.gz BNKYVMXXFCNODW-VBNZEHGJSA-N 2 2 303.406 1.693 10 0 DDAELP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262393435 407823523 /nfs/dbraw/zinc/82/35/23/407823523.db2.gz BNKYVMXXFCNODW-VBNZEHGJSA-N 2 2 303.406 1.693 10 0 DDAELP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262401975 407824461 /nfs/dbraw/zinc/82/44/61/407824461.db2.gz CJFVGEQNHICPRH-ZKYQVNSYSA-N 2 2 323.824 1.956 10 0 DDAELP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262401975 407824468 /nfs/dbraw/zinc/82/44/68/407824468.db2.gz CJFVGEQNHICPRH-ZKYQVNSYSA-N 2 2 323.824 1.956 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000262566239 407868387 /nfs/dbraw/zinc/86/83/87/407868387.db2.gz WREZNEDFDLQUHC-QJPTWQEYSA-N 2 2 306.410 1.580 10 0 DDAELP CC(C)(C)c1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000262566239 407868392 /nfs/dbraw/zinc/86/83/92/407868392.db2.gz WREZNEDFDLQUHC-QJPTWQEYSA-N 2 2 306.410 1.580 10 0 DDAELP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000188612643 407962827 /nfs/dbraw/zinc/96/28/27/407962827.db2.gz BCMUYPHZAYGBDW-OAHLLOKOSA-N 2 2 314.474 1.080 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126797 408031866 /nfs/dbraw/zinc/03/18/66/408031866.db2.gz BJDRZEURLFVOEM-BZZMCLGOSA-N 3 2 303.450 1.209 10 0 DDAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000263126797 408031872 /nfs/dbraw/zinc/03/18/72/408031872.db2.gz BJDRZEURLFVOEM-BZZMCLGOSA-N 3 2 303.450 1.209 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@@H+]1C[C@H](C)O ZINC000245790478 408068024 /nfs/dbraw/zinc/06/80/24/408068024.db2.gz WBTCOVJQIYXEAB-JKSUJKDBSA-N 2 2 316.449 1.920 10 0 DDAELP CC[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)CC[N@H+]1C[C@H](C)O ZINC000245790478 408068030 /nfs/dbraw/zinc/06/80/30/408068030.db2.gz WBTCOVJQIYXEAB-JKSUJKDBSA-N 2 2 316.449 1.920 10 0 DDAELP CC[NH+](CC)[C@H](C)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000247297674 408447141 /nfs/dbraw/zinc/44/71/41/408447141.db2.gz HUSKSWLORIJKRD-KGLIPLIRSA-N 2 2 307.442 1.580 10 0 DDAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)C[NH+](C)C)c2cccs2)CCO1 ZINC000247065580 408399866 /nfs/dbraw/zinc/39/98/66/408399866.db2.gz UQCWJLGUJHNGQG-QWHCGFSZSA-N 2 2 311.451 1.188 10 0 DDAELP C[C@H]1C[N@H+]([C@H](CNC(=O)C[NH+](C)C)c2cccs2)CCO1 ZINC000247065580 408399872 /nfs/dbraw/zinc/39/98/72/408399872.db2.gz UQCWJLGUJHNGQG-QWHCGFSZSA-N 2 2 311.451 1.188 10 0 DDAELP CNC(=O)C[NH+]1CCC(CN(C)c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301879734 410819463 /nfs/dbraw/zinc/81/94/63/410819463.db2.gz LMIHJBUNBGKOAF-UHFFFAOYSA-N 2 2 315.421 1.457 10 0 DDAELP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195248502 222195617 /nfs/dbraw/zinc/19/56/17/222195617.db2.gz YWOADZJOTCXTFB-KBPBESRZSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195248502 222195620 /nfs/dbraw/zinc/19/56/20/222195620.db2.gz YWOADZJOTCXTFB-KBPBESRZSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195248502 222195624 /nfs/dbraw/zinc/19/56/24/222195624.db2.gz YWOADZJOTCXTFB-KBPBESRZSA-N 2 2 313.467 1.213 10 0 DDAELP COC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195248502 222195626 /nfs/dbraw/zinc/19/56/26/222195626.db2.gz YWOADZJOTCXTFB-KBPBESRZSA-N 2 2 313.467 1.213 10 0 DDAELP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000284576825 303029073 /nfs/dbraw/zinc/02/90/73/303029073.db2.gz PJUQEIDTJDUXPG-GPMSIDNRSA-N 2 2 324.428 1.887 10 0 DDAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000382271481 483961065 /nfs/dbraw/zinc/96/10/65/483961065.db2.gz BRTSOUZAVZMEHD-QWRGUYRKSA-N 2 2 306.859 1.991 10 0 DDAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000382271481 483961070 /nfs/dbraw/zinc/96/10/70/483961070.db2.gz BRTSOUZAVZMEHD-QWRGUYRKSA-N 2 2 306.859 1.991 10 0 DDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000262130916 484263473 /nfs/dbraw/zinc/26/34/73/484263473.db2.gz NXASKKLNIIABJX-MWLCHTKSSA-N 2 2 306.740 1.611 10 0 DDAELP COC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154617783 522170827 /nfs/dbraw/zinc/17/08/27/522170827.db2.gz IDQLUOKJXVCKRY-JZWPEALZSA-N 2 2 309.454 1.038 10 0 DDAELP COC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154617783 522170832 /nfs/dbraw/zinc/17/08/32/522170832.db2.gz IDQLUOKJXVCKRY-JZWPEALZSA-N 2 2 309.454 1.038 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886082551 708694884 /nfs/dbraw/zinc/69/48/84/708694884.db2.gz NJUKNNUKACUVFT-XHSDSOJGSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000886082551 708694886 /nfs/dbraw/zinc/69/48/86/708694886.db2.gz NJUKNNUKACUVFT-XHSDSOJGSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886082551 708694888 /nfs/dbraw/zinc/69/48/88/708694888.db2.gz NJUKNNUKACUVFT-XHSDSOJGSA-N 2 2 320.437 1.443 10 0 DDAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000886082551 708694890 /nfs/dbraw/zinc/69/48/90/708694890.db2.gz NJUKNNUKACUVFT-XHSDSOJGSA-N 2 2 320.437 1.443 10 0 DDAELP CCn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](OC)C1 ZINC000626051117 367301634 /nfs/dbraw/zinc/30/16/34/367301634.db2.gz JKZZTNGVVRXVAG-ZACQAIPSSA-N 2 2 306.454 1.677 10 0 DDAELP CCn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 ZINC000626051117 367301638 /nfs/dbraw/zinc/30/16/38/367301638.db2.gz JKZZTNGVVRXVAG-ZACQAIPSSA-N 2 2 306.454 1.677 10 0 DDAELP C[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000094300277 193357361 /nfs/dbraw/zinc/35/73/61/193357361.db2.gz ZNGIDYVMFJEYKH-IHRRRGAJSA-N 2 2 304.500 1.753 10 0 DDAELP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000094300277 193357363 /nfs/dbraw/zinc/35/73/63/193357363.db2.gz ZNGIDYVMFJEYKH-IHRRRGAJSA-N 2 2 304.500 1.753 10 0 DDAELP C[NH2+][C@@H](Cc1cccc(Br)c1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094509021 193376214 /nfs/dbraw/zinc/37/62/14/193376214.db2.gz YDBKWDKZAPHSMN-GJZGRUSLSA-N 2 2 324.266 1.579 10 0 DDAELP C[C@H]([C@H]1CC[C@H]([C@@H](C)[NH+]2CCOCC2)C1=O)[NH+]1CCOCC1 ZINC000039372571 183017107 /nfs/dbraw/zinc/01/71/07/183017107.db2.gz VZXHPXABMPLTJH-KLHDSHLOSA-N 2 2 310.438 1.023 10 0 DDAELP COC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021754 183329632 /nfs/dbraw/zinc/32/96/32/183329632.db2.gz DEALXQZBTCLYLJ-OLZOCXBDSA-N 2 2 317.227 1.388 10 0 DDAELP COC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021754 183329634 /nfs/dbraw/zinc/32/96/34/183329634.db2.gz DEALXQZBTCLYLJ-OLZOCXBDSA-N 2 2 317.227 1.388 10 0 DDAELP CN(Cc1[nH+]ccn1C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000062249850 184225605 /nfs/dbraw/zinc/22/56/05/184225605.db2.gz ABTKBNPBHOEFER-SECBINFHSA-N 2 2 313.199 1.907 10 0 DDAELP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[C@H]([NH+]3CCOCC3)C2)s1 ZINC000062977899 184264024 /nfs/dbraw/zinc/26/40/24/184264024.db2.gz YYSONKKUZANPPT-OFQRWUPVSA-N 2 2 309.479 1.851 10 0 DDAELP O[C@H](C[NH+]1CCN(CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000122654203 407307453 /nfs/dbraw/zinc/30/74/53/407307453.db2.gz BGUIYBXDBBOGQP-QGZVFWFLSA-N 2 2 300.406 1.234 10 0 DDAELP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCS1 ZINC000179283420 407765694 /nfs/dbraw/zinc/76/56/94/407765694.db2.gz XYTKOXCFSJAGQX-ZDUSSCGKSA-N 2 2 314.499 1.159 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262396849 407826875 /nfs/dbraw/zinc/82/68/75/407826875.db2.gz BZGFUKBVQHCCQG-MJBXVCDLSA-N 2 2 303.406 1.611 10 0 DDAELP COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262396849 407826881 /nfs/dbraw/zinc/82/68/81/407826881.db2.gz BZGFUKBVQHCCQG-MJBXVCDLSA-N 2 2 303.406 1.611 10 0 DDAELP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+]3CCOCC3)C2)c1C ZINC000173940703 407904520 /nfs/dbraw/zinc/90/45/20/407904520.db2.gz VUKDQKCNOKNSBM-HNNXBMFYSA-N 2 2 305.422 1.614 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)CCO2)n1 ZINC000245635192 408033773 /nfs/dbraw/zinc/03/37/73/408033773.db2.gz RETGQKGFQDUGGJ-IAGOWNOFSA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC000245635192 408033776 /nfs/dbraw/zinc/03/37/76/408033776.db2.gz RETGQKGFQDUGGJ-IAGOWNOFSA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CCO2)n1 ZINC000245635192 408033779 /nfs/dbraw/zinc/03/37/79/408033779.db2.gz RETGQKGFQDUGGJ-IAGOWNOFSA-N 2 2 306.454 1.685 10 0 DDAELP Cc1cc(C)n(C[C@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)CCO2)n1 ZINC000245635192 408033782 /nfs/dbraw/zinc/03/37/82/408033782.db2.gz RETGQKGFQDUGGJ-IAGOWNOFSA-N 2 2 306.454 1.685 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000173653870 162353463 /nfs/dbraw/zinc/35/34/63/162353463.db2.gz IBXWMBNKLJTONF-GOEBONIOSA-N 2 2 319.453 1.110 10 0 DDAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000173653870 162353465 /nfs/dbraw/zinc/35/34/65/162353465.db2.gz IBXWMBNKLJTONF-GOEBONIOSA-N 2 2 319.453 1.110 10 0 DDAELP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000332782034 164057782 /nfs/dbraw/zinc/05/77/82/164057782.db2.gz YORAGEHNDCETJA-KBPBESRZSA-N 2 2 305.426 1.781 10 0 DDAELP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000332782034 164057786 /nfs/dbraw/zinc/05/77/86/164057786.db2.gz YORAGEHNDCETJA-KBPBESRZSA-N 2 2 305.426 1.781 10 0 DDAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195294315 222196112 /nfs/dbraw/zinc/19/61/12/222196112.db2.gz WTIFCDBHHCLFTB-INIZCTEOSA-N 2 2 318.465 1.750 10 0 DDAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195294315 222196114 /nfs/dbraw/zinc/19/61/14/222196114.db2.gz WTIFCDBHHCLFTB-INIZCTEOSA-N 2 2 318.465 1.750 10 0 DDAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000195294315 222196118 /nfs/dbraw/zinc/19/61/18/222196118.db2.gz WTIFCDBHHCLFTB-INIZCTEOSA-N 2 2 318.465 1.750 10 0 DDAELP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000583619008 422206173 /nfs/dbraw/zinc/20/61/73/422206173.db2.gz TVKKQIOEIODGEF-JSGCOSHPSA-N 2 2 318.352 1.005 10 0 DDAELP