smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096047910 185073351 /nfs/dbraw/zinc/07/33/51/185073351.db2.gz XJQITKDXYMENBJ-CQSZACIVSA-N 2 0 264.369 1.965 40 0 CDABRP c1ccc(CC[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096088765 185093535 /nfs/dbraw/zinc/09/35/35/185093535.db2.gz YQBYNXSWQXJTPI-UHFFFAOYSA-N 2 0 260.381 1.684 40 0 CDABRP C(CCCSC1=[NH+]CCN1)CCSC1=[NH+]CCN1 ZINC000001652051 355944477 /nfs/dbraw/zinc/94/44/77/355944477.db2.gz OBRGTSVNAJGUMD-UHFFFAOYSA-N 2 0 286.470 1.932 40 0 CDABRP CCN(CC[NH3+])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393584 356989625 /nfs/dbraw/zinc/98/96/25/356989625.db2.gz XRKLSZQKTYEXMG-MRXNPFEDSA-N 2 0 261.413 1.789 40 0 CDABRP CC[N@H+](Cc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079415269 356995024 /nfs/dbraw/zinc/99/50/24/356995024.db2.gz OPKQRZQKBLZOCP-UHFFFAOYSA-N 2 0 275.396 1.458 40 0 CDABRP CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1OC ZINC000008324686 170331296 /nfs/dbraw/zinc/33/12/96/170331296.db2.gz HUFRDTASLYDNGY-UHFFFAOYSA-N 2 0 252.358 1.793 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000079415415 278224285 /nfs/dbraw/zinc/22/42/85/278224285.db2.gz CUEGXVIPFGXYJP-BPUTZDHNSA-N 2 0 289.423 1.893 40 0 CDABRP CC(C)(C)c1cc(C[NH+]2CCC(C[NH3+])CC2)[nH]n1 ZINC000096523625 342166021 /nfs/dbraw/zinc/16/60/21/342166021.db2.gz PYJKDHKGNWEDSH-UHFFFAOYSA-N 2 0 250.390 1.878 40 0 CDABRP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404385 356990968 /nfs/dbraw/zinc/99/09/68/356990968.db2.gz WCCKHYZJOMZFRG-DZGCQCFKSA-N 2 0 275.396 1.362 40 0 CDABRP [NH3+][C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237964778 361497706 /nfs/dbraw/zinc/49/77/06/361497706.db2.gz LIONXARLQBUDBF-YPAMNDHTSA-N 2 0 287.407 1.723 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242390312 364512933 /nfs/dbraw/zinc/51/29/33/364512933.db2.gz AJXJXDRRDOUBQC-AVGNSLFASA-N 2 0 255.406 1.443 40 0 CDABRP CC(C)N(C(=O)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404233 390421845 /nfs/dbraw/zinc/42/18/45/390421845.db2.gz NMKRVFOOXZLMGU-OAHLLOKOSA-N 2 0 275.396 1.457 40 0 CDABRP C[NH+]1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072225536 390624032 /nfs/dbraw/zinc/62/40/32/390624032.db2.gz VDSCHGWBYUKGNE-KRWDZBQOSA-N 2 0 282.391 1.882 40 0 CDABRP C[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096100352 390912848 /nfs/dbraw/zinc/91/28/48/390912848.db2.gz NXLFMCSINWGIMO-BNOWGMLFSA-N 2 0 250.342 1.431 40 0 CDABRP CC[C@@H]1C[NH2+][C@H](CO)[C@@H]1C[N@H+](C)CCc1ccccc1 ZINC001772595092 1159312041 /nfs/dbraw/zinc/31/20/41/1159312041.db2.gz WAGXRNZBPGUEDT-BRWVUGGUSA-N 2 0 276.424 1.767 40 0 CDABRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404191 356990110 /nfs/dbraw/zinc/99/01/10/356990110.db2.gz BSDLHNABWBXREX-OAHLLOKOSA-N 2 0 275.396 1.316 40 0 CDABRP Fc1cccc(CN2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096318510 393176942 /nfs/dbraw/zinc/17/69/42/393176942.db2.gz JRYDBDQNNHRQCL-UHFFFAOYSA-N 2 0 264.344 1.780 40 0 CDABRP Cc1nc2cccc3nc(NCCC[NH+](C)C)[nH+]c(n1)-n-2-3 ZINC000001589314 355940918 /nfs/dbraw/zinc/94/09/18/355940918.db2.gz BZUWGWNTHLPUMI-UHFFFAOYSA-N 2 0 285.355 1.272 40 0 CDABRP CC[NH+](CC)CCOC(=O)CCC1CC[NH2+]CC1 ZINC000001620715 355941644 /nfs/dbraw/zinc/94/16/44/355941644.db2.gz HBNMFHYWHSJOCF-UHFFFAOYSA-N 2 0 256.390 1.651 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407634 356990710 /nfs/dbraw/zinc/99/07/10/356990710.db2.gz BFZCJDZRIBIADC-MJBXVCDLSA-N 2 0 269.433 1.691 40 0 CDABRP [NH3+]CCN1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414720 356993625 /nfs/dbraw/zinc/99/36/25/356993625.db2.gz HYAIFPQYZDAYLC-MRXNPFEDSA-N 2 0 273.424 1.932 40 0 CDABRP Cc1ccc(C[N@H+]2CCc3ncc(C[NH+](C)C)n3CC2)o1 ZINC000096196778 358716031 /nfs/dbraw/zinc/71/60/31/358716031.db2.gz UVIZLBSHVLAPGK-UHFFFAOYSA-N 2 0 288.395 1.904 40 0 CDABRP c1csc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096531585 358736839 /nfs/dbraw/zinc/73/68/39/358736839.db2.gz SQSFWABFURHDBA-UHFFFAOYSA-N 2 0 252.383 1.703 40 0 CDABRP O=C(C[NH+]1CCCC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257317855 392978158 /nfs/dbraw/zinc/97/81/58/392978158.db2.gz VLMDQUFRIKUZJP-HNNXBMFYSA-N 2 0 273.380 1.255 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415620 279392529 /nfs/dbraw/zinc/39/25/29/279392529.db2.gz CIASLNONSWAZDC-XJKSGUPXSA-N 2 0 287.407 1.599 40 0 CDABRP O=C(C[NH+]1CCCC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257317856 295498589 /nfs/dbraw/zinc/49/85/89/295498589.db2.gz VLMDQUFRIKUZJP-OAHLLOKOSA-N 2 0 273.380 1.255 40 0 CDABRP Cn1cc(C[NH+]2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)cn1 ZINC000096047915 185072836 /nfs/dbraw/zinc/07/28/36/185072836.db2.gz DICRTBJQAZASMW-CQSZACIVSA-N 2 0 278.400 1.105 40 0 CDABRP c1cc[n+](OCc2ccccc2CO[n+]2ccccc2)cc1 ZINC000001667656 355945076 /nfs/dbraw/zinc/94/50/76/355945076.db2.gz IFWCWYOYPUOCKX-UHFFFAOYSA-N 2 0 294.354 1.519 40 0 CDABRP C[C@@H]1CCN(C)CC[N@H+](C)[C@H](C)CCN(C)CC[NH+]1C ZINC000068604989 357651328 /nfs/dbraw/zinc/65/13/28/357651328.db2.gz OMMPWWHFHXHTRC-HZPDHXFCSA-N 2 0 284.492 1.284 40 0 CDABRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000236788076 366414085 /nfs/dbraw/zinc/41/40/85/366414085.db2.gz HNITUVLJZPVICJ-UONOGXRCSA-N 2 0 267.417 1.304 40 0 CDABRP COCC[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC000096259417 358728294 /nfs/dbraw/zinc/72/82/94/358728294.db2.gz LGPFZIOHRHWWST-UHFFFAOYSA-N 2 0 292.427 1.767 40 0 CDABRP [NH3+]CCN(C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393632 390421010 /nfs/dbraw/zinc/42/10/10/390421010.db2.gz DYTJPGVYXYSZBJ-MRXNPFEDSA-N 2 0 259.397 1.684 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@H+](C)C1 ZINC000079407738 280271681 /nfs/dbraw/zinc/27/16/81/280271681.db2.gz HSYLAXVJVBRMEE-STQMWFEESA-N 2 0 253.390 1.055 40 0 CDABRP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484359 230381166 /nfs/dbraw/zinc/38/11/66/230381166.db2.gz CTUMWRFFXBTOBG-BRWVUGGUSA-N 2 0 274.408 1.979 40 0 CDABRP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000096056228 185077767 /nfs/dbraw/zinc/07/77/67/185077767.db2.gz LDYMUYPILOPOMG-CWRNSKLLSA-N 2 0 278.396 1.987 40 0 CDABRP C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415222 390421661 /nfs/dbraw/zinc/42/16/61/390421661.db2.gz IVYFRJJQWNLGJP-LSDHHAIUSA-N 2 0 275.396 1.505 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000242687284 261267708 /nfs/dbraw/zinc/26/77/08/261267708.db2.gz UDUWAYCDQYFANT-OBJOEFQTSA-N 2 0 267.417 1.491 40 0 CDABRP CN(CC[NH3+])C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393569 356989789 /nfs/dbraw/zinc/98/97/89/356989789.db2.gz QELIUXPIXHOTPY-MRXNPFEDSA-N 2 0 261.413 1.789 40 0 CDABRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404199 356990126 /nfs/dbraw/zinc/99/01/26/356990126.db2.gz BSDLHNABWBXREX-HNNXBMFYSA-N 2 0 275.396 1.316 40 0 CDABRP Cc1cc(NCCCCCC[NH3+])nc(N2CCOCC2)[nH+]1 ZINC000008731111 358388593 /nfs/dbraw/zinc/38/85/93/358388593.db2.gz HNKLXDAHXZNANO-UHFFFAOYSA-N 2 0 293.415 1.553 40 0 CDABRP C[C@@]1(CN2CCc3c(cccc3C(N)=O)C2)CCC[NH2+]C1 ZINC000904378750 626275637 /nfs/dbraw/zinc/27/56/37/626275637.db2.gz KAGSLLNOMCXOJT-QGZVFWFLSA-N 2 0 287.407 1.533 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000019423316 367279287 /nfs/dbraw/zinc/27/92/87/367279287.db2.gz YXZGUGXPETVYBC-INIZCTEOSA-N 2 0 289.423 1.751 40 0 CDABRP C[NH+](C)[C@]1([C@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000225467447 374466468 /nfs/dbraw/zinc/46/64/68/374466468.db2.gz SYVBJXKIQQWHLO-NEBZKDRISA-N 2 0 254.418 1.700 40 0 CDABRP C[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216568 390621916 /nfs/dbraw/zinc/62/19/16/390621916.db2.gz ZCJMLWJMUMLCHN-CQSZACIVSA-N 2 0 260.385 1.600 40 0 CDABRP CC[C@@H]([NH3+])c1cnc(N2CC[NH+](CC)CC2)c(C)c1 ZINC000072222594 390622966 /nfs/dbraw/zinc/62/29/66/390622966.db2.gz ZODSKVUQJDKGOC-CQSZACIVSA-N 2 0 262.401 1.942 40 0 CDABRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](C)C(=O)OC ZINC000035133627 171999337 /nfs/dbraw/zinc/99/93/37/171999337.db2.gz RKHDUKJSSNGETH-OLZOCXBDSA-N 2 0 258.406 1.896 40 0 CDABRP C[N@H+](CCO)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393500 356990136 /nfs/dbraw/zinc/99/01/36/356990136.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 2 0 262.397 1.823 40 0 CDABRP CC(C)[NH+]1CCN(CCOc2cc[nH+]c(N)c2)CC1 ZINC000098175310 358815889 /nfs/dbraw/zinc/81/58/89/358815889.db2.gz FSJCNVHPCVGFEZ-UHFFFAOYSA-N 2 0 264.373 1.069 40 0 CDABRP C[NH+](C)CCn1cc2[nH]c([C@H]3CCC[NH2+]3)ccc-2c1=O ZINC000257216858 190013753 /nfs/dbraw/zinc/01/37/53/190013753.db2.gz CWJVGKOUFKUEBQ-GFCCVEGCSA-N 2 0 274.368 1.024 40 0 CDABRP CCN(CC[NH3+])C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393580 279186953 /nfs/dbraw/zinc/18/69/53/279186953.db2.gz QPCPCGAAZNDQAF-MRXNPFEDSA-N 2 0 261.413 1.932 40 0 CDABRP COc1ccccc1[C@@H]1C[NH2+]CCN1C1CC[NH+](C)CC1 ZINC000257333796 295393964 /nfs/dbraw/zinc/39/39/64/295393964.db2.gz YDBYJPCZGIQNNR-INIZCTEOSA-N 2 0 289.423 1.736 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)C(C)C)C1 ZINC000079419582 356995155 /nfs/dbraw/zinc/99/51/55/356995155.db2.gz MCGFLHVDCRXJPS-STQMWFEESA-N 2 0 255.406 1.301 40 0 CDABRP CC[C@H]([NH3+])c1ccc(N2CC[NH+](CC)CC2)nc1C ZINC000072224680 390624807 /nfs/dbraw/zinc/62/48/07/390624807.db2.gz WHRNHJKEARPDLB-AWEZNQCLSA-N 2 0 262.401 1.942 40 0 CDABRP COc1c2c(c([C@H](C)[NH3+])c3c1C[N@H+](C)CC3)OCO2 ZINC000242548038 391942985 /nfs/dbraw/zinc/94/29/85/391942985.db2.gz KZXTZZCMYAOSHW-QMMMGPOBSA-N 2 0 264.325 1.432 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(CC1CC[NH+](C)CC1)C(C)C ZINC000079426711 277902332 /nfs/dbraw/zinc/90/23/32/277902332.db2.gz XJFHTJVOBKNYOV-AWEZNQCLSA-N 2 0 269.433 1.549 40 0 CDABRP [NH3+]CC1(O)CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000691688386 922683699 /nfs/dbraw/zinc/68/36/99/922683699.db2.gz YKKUORRJMZPBDV-JXQTWKCFSA-N 2 0 252.402 1.598 40 0 CDABRP C[N@H+](CCO)Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1 ZINC000019586120 356492494 /nfs/dbraw/zinc/49/24/94/356492494.db2.gz QMEZJBNSZKHIAJ-LBPRGKRZSA-N 2 0 288.395 1.454 40 0 CDABRP [NH3+]CC(=O)N1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393806 356989166 /nfs/dbraw/zinc/98/91/66/356989166.db2.gz NACRROLINSVOBU-OAHLLOKOSA-N 2 0 273.380 1.211 40 0 CDABRP [NH3+]CC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404310 356991537 /nfs/dbraw/zinc/99/15/37/356991537.db2.gz NPGBTYVYFSQFSI-INIZCTEOSA-N 2 0 287.407 1.601 40 0 CDABRP CC[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](C)C2)C1 ZINC000096216661 358721533 /nfs/dbraw/zinc/72/15/33/358721533.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 2 0 289.423 1.872 40 0 CDABRP CCN1CCC[C@@](O)(C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087853 423932954 /nfs/dbraw/zinc/93/29/54/423932954.db2.gz MTPYSZIMCYAYGJ-CABCVRRESA-N 2 0 270.417 1.070 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404593 356990723 /nfs/dbraw/zinc/99/07/23/356990723.db2.gz SACBQTCDVLXJFE-HOTGVXAUSA-N 2 0 289.423 1.751 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419654 356994663 /nfs/dbraw/zinc/99/46/63/356994663.db2.gz TUDSHIUJGSBKAG-KGLIPLIRSA-N 2 0 267.417 1.445 40 0 CDABRP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096108241 358708304 /nfs/dbraw/zinc/70/83/04/358708304.db2.gz XPAHZYFEJSHYJJ-CVEARBPZSA-N 2 0 260.381 1.697 40 0 CDABRP CCN(C(=O)C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404213 284149584 /nfs/dbraw/zinc/14/95/84/284149584.db2.gz USMVHOOSQFTWLH-UHFFFAOYSA-N 2 0 275.396 1.458 40 0 CDABRP O=c1[nH]c([C@@H]2CC[NH2+]C2)nc2c1CC[N@@H+](C1CCCC1)C2 ZINC000257335471 374421818 /nfs/dbraw/zinc/42/18/18/374421818.db2.gz YKGNIHMLFPJZHF-LLVKDONJSA-N 2 0 288.395 1.560 40 0 CDABRP C[NH+]1CCN(c2ncccc2[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000072216596 390622244 /nfs/dbraw/zinc/62/22/44/390622244.db2.gz DRDZMYRORBTDAE-HNNXBMFYSA-N 2 0 274.412 1.990 40 0 CDABRP O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000005382563 391512974 /nfs/dbraw/zinc/51/29/74/391512974.db2.gz XKRNTOCNSGQSIM-CABCVRRESA-N 2 0 280.412 1.794 40 0 CDABRP c1cc2c(cc1C[NH2+]CC1CC[NH2+]CC1)OCCO2 ZINC000010434751 170406814 /nfs/dbraw/zinc/40/68/14/170406814.db2.gz FIRMFUDGNHRXMG-UHFFFAOYSA-N 2 0 262.353 1.547 40 0 CDABRP CN1CC[NH+]([C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC000096048866 290056856 /nfs/dbraw/zinc/05/68/56/290056856.db2.gz QJJXYAWKDDCFQC-MRXNPFEDSA-N 2 0 293.455 1.267 40 0 CDABRP CN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404171 356990130 /nfs/dbraw/zinc/99/01/30/356990130.db2.gz WMPRNLZOPOUTET-OAHLLOKOSA-N 2 0 275.396 1.316 40 0 CDABRP Cc1cc(N2CC[NH2+]CC2)nc(N2CCCCC2)[nH+]1 ZINC000008731107 358388380 /nfs/dbraw/zinc/38/83/80/358388380.db2.gz DATXPODXGGIQEY-UHFFFAOYSA-N 2 0 261.373 1.185 40 0 CDABRP COCC[N@@H+]1CC[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096087603 390912684 /nfs/dbraw/zinc/91/26/84/390912684.db2.gz GSHMFAQRINBXTN-INIZCTEOSA-N 2 0 294.395 1.450 40 0 CDABRP COCC[N@H+](C)C[C@@H]1CCC[C@@H]2C[NH+](CCOC)C[C@@H]21 ZINC000096081904 398070454 /nfs/dbraw/zinc/07/04/54/398070454.db2.gz JXYBFPIKNWDVLB-ARFHVFGLSA-N 2 0 284.444 1.559 40 0 CDABRP C[N@H+](CCO)Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000019586118 356492409 /nfs/dbraw/zinc/49/24/09/356492409.db2.gz QMEZJBNSZKHIAJ-GFCCVEGCSA-N 2 0 288.395 1.454 40 0 CDABRP CC[N@H+](CCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393509 356989078 /nfs/dbraw/zinc/98/90/78/356989078.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 2 0 262.397 1.823 40 0 CDABRP C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH2+]C2)C1CC1 ZINC000306135677 374969770 /nfs/dbraw/zinc/96/97/70/374969770.db2.gz OXNUHKWLCVMNJY-CVEARBPZSA-N 2 0 264.413 1.735 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079414597 285116719 /nfs/dbraw/zinc/11/67/19/285116719.db2.gz IDLVWQTXVFCCKK-INIZCTEOSA-N 2 0 261.413 1.932 40 0 CDABRP COc1c2c(c(C(C)(C)[NH3+])c3c1C[N@H+](C)CC3)OCO2 ZINC000252487885 392794934 /nfs/dbraw/zinc/79/49/34/392794934.db2.gz IDHRBSNSIRDQFJ-UHFFFAOYSA-N 2 0 278.352 1.606 40 0 CDABRP COCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000155465190 351377927 /nfs/dbraw/zinc/37/79/27/351377927.db2.gz POLKLJVGISNMDE-AWEZNQCLSA-N 2 0 298.427 1.230 40 0 CDABRP CC[NH+](CC)CCCNc1nc(C)nc2c1CCN(C)C2 ZINC000012274898 356293217 /nfs/dbraw/zinc/29/32/17/356293217.db2.gz POGSEYVGLSUXOM-UHFFFAOYSA-N 2 0 291.443 1.917 40 0 CDABRP c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C4(CCOCC4)[C@@H]3C2)cc1 ZINC000257202049 190010457 /nfs/dbraw/zinc/01/04/57/190010457.db2.gz AKGCSQFTEHYNIJ-JKSUJKDBSA-N 2 0 272.392 1.887 40 0 CDABRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000236770256 278049643 /nfs/dbraw/zinc/04/96/43/278049643.db2.gz MQISTURNOQKZSR-HUUCEWRRSA-N 2 0 275.396 1.536 40 0 CDABRP O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000247394419 345199595 /nfs/dbraw/zinc/19/95/95/345199595.db2.gz MANDDTJKNPGWKZ-QLFBSQMISA-N 2 0 280.412 1.794 40 0 CDABRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404448 356990785 /nfs/dbraw/zinc/99/07/85/356990785.db2.gz UMNSMOBBLNWFMH-GOEBONIOSA-N 2 0 289.423 1.704 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(CC[NH3+])C1 ZINC000079414581 356993512 /nfs/dbraw/zinc/99/35/12/356993512.db2.gz YOJPKTPEYOXWLK-MRXNPFEDSA-N 2 0 261.413 1.789 40 0 CDABRP CC[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216274 390621380 /nfs/dbraw/zinc/62/13/80/390621380.db2.gz GYWQMIDYYSJOCB-AWEZNQCLSA-N 2 0 260.385 1.648 40 0 CDABRP CC(C)[NH2+]CCCNC(=S)NCCC[NH2+]C(C)C ZINC000005455438 170100604 /nfs/dbraw/zinc/10/06/04/170100604.db2.gz CBHRRKOAANJJBZ-UHFFFAOYSA-N 2 0 274.478 1.227 40 0 CDABRP C[NH+]1CCC(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000257318082 277024300 /nfs/dbraw/zinc/02/43/00/277024300.db2.gz VMLFTHBYLOWNTJ-INIZCTEOSA-N 2 0 287.407 1.501 40 0 CDABRP [NH3+]CC(=O)N(C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404289 356991281 /nfs/dbraw/zinc/99/12/81/356991281.db2.gz DTSKFXCOMNUXNM-OAHLLOKOSA-N 2 0 273.380 1.211 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](C)C1CC1 ZINC000079419627 356995340 /nfs/dbraw/zinc/99/53/40/356995340.db2.gz IFJINVRGEKFDBW-OLZOCXBDSA-N 2 0 253.390 1.055 40 0 CDABRP O[C@H]1CC[N@@H+]2C[C@@H]3C[C@@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1 ZINC000169657859 365042942 /nfs/dbraw/zinc/04/29/42/365042942.db2.gz MMXKVQSOWVEFOB-YYFQZIEXSA-N 2 0 250.386 1.316 40 0 CDABRP Cn1ccnc1C[N@@H+]1CCC[C@@H](CC[NH+](C)C)C1 ZINC000257295388 190028762 /nfs/dbraw/zinc/02/87/62/190028762.db2.gz QYCKYXJXCLPRAI-ZDUSSCGKSA-N 2 0 250.390 1.584 40 0 CDABRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000218871230 377941020 /nfs/dbraw/zinc/94/10/20/377941020.db2.gz FNVWYGBIEXEYCD-QWHCGFSZSA-N 2 0 264.369 1.716 40 0 CDABRP Cn1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000227220868 140183276 /nfs/dbraw/zinc/18/32/76/140183276.db2.gz WQOWSBRSMYISFG-CABCVRRESA-N 2 0 256.353 1.697 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCC[N@H+](C)C1 ZINC000079426690 280271144 /nfs/dbraw/zinc/27/11/44/280271144.db2.gz YAMGVSKORIPUEJ-STQMWFEESA-N 2 0 255.406 1.301 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C2CC2)CC1 ZINC000079419667 280271860 /nfs/dbraw/zinc/27/18/60/280271860.db2.gz BCUVWBJVAOQKLJ-AWEZNQCLSA-N 2 0 267.417 1.303 40 0 CDABRP [NH3+]CC(=O)N1CCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079391038 303365937 /nfs/dbraw/zinc/36/59/37/303365937.db2.gz SZWLTWOMXXCKQS-MRXNPFEDSA-N 2 0 287.407 1.601 40 0 CDABRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404350 356991523 /nfs/dbraw/zinc/99/15/23/356991523.db2.gz FDAVDUMHZCEFPC-JSGCOSHPSA-N 2 0 261.369 1.114 40 0 CDABRP CCn1cc(C[N@H+](CC)CC2CC[NH2+]CC2)cn1 ZINC000094025265 391578565 /nfs/dbraw/zinc/57/85/65/391578565.db2.gz JKYLWTUVZDQPAD-UHFFFAOYSA-N 2 0 250.390 1.725 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407350 356991101 /nfs/dbraw/zinc/99/11/01/356991101.db2.gz NQRYKVZMTLREBU-AVGNSLFASA-N 2 0 255.406 1.443 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404611 356991558 /nfs/dbraw/zinc/99/15/58/356991558.db2.gz POTNTNYJJFONTH-CVEARBPZSA-N 2 0 289.423 1.608 40 0 CDABRP CCN(C[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407614 285082592 /nfs/dbraw/zinc/08/25/92/285082592.db2.gz MTTBAEJTBROXAW-OLZOCXBDSA-N 2 0 255.406 1.303 40 0 CDABRP CC(C)N(CC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393605 390421869 /nfs/dbraw/zinc/42/18/69/390421869.db2.gz VGOUQMHKGQKVRP-INIZCTEOSA-N 2 0 261.413 1.930 40 0 CDABRP CCN1CCC[C@](O)(C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087851 423932296 /nfs/dbraw/zinc/93/22/96/423932296.db2.gz MTPYSZIMCYAYGJ-HUUCEWRRSA-N 2 0 270.417 1.070 40 0 CDABRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH2+]CC2 ZINC000306142928 277250247 /nfs/dbraw/zinc/25/02/47/277250247.db2.gz XOHJNXCGPJQUSA-LBPRGKRZSA-N 2 0 281.425 1.734 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404407 356990767 /nfs/dbraw/zinc/99/07/67/356990767.db2.gz UNAUYYTYCINVCX-ZFWWWQNUSA-N 2 0 275.396 1.314 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404540 356991114 /nfs/dbraw/zinc/99/11/14/356991114.db2.gz FLQIYJMLFSGQTA-XJKSGUPXSA-N 2 0 287.407 1.599 40 0 CDABRP OCCN1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993609 /nfs/dbraw/zinc/99/36/09/356993609.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 2 0 274.408 1.965 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415260 356995224 /nfs/dbraw/zinc/99/52/24/356995224.db2.gz ATQPZMKWHFWLKT-OAHLLOKOSA-N 2 0 275.396 1.458 40 0 CDABRP C[C@@H]1CCN(C)CC[NH+](C)[C@@H](C)CCN(C)CC[N@@H+]1C ZINC000068604992 357651360 /nfs/dbraw/zinc/65/13/60/357651360.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 0 284.492 1.284 40 0 CDABRP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 ZINC000019795704 367281130 /nfs/dbraw/zinc/28/11/30/367281130.db2.gz QZBMFDWYLAINFN-AWEZNQCLSA-N 2 0 293.411 1.341 40 0 CDABRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000225467850 374468073 /nfs/dbraw/zinc/46/80/73/374468073.db2.gz WQNWUCRAKYLYLQ-ZIAGYGMSSA-N 2 0 296.459 1.595 40 0 CDABRP C[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216296 390620866 /nfs/dbraw/zinc/62/08/66/390620866.db2.gz FAKRETLRIRAJQW-CQSZACIVSA-N 2 0 260.385 1.648 40 0 CDABRP CC[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216514 390621340 /nfs/dbraw/zinc/62/13/40/390621340.db2.gz JWQYCCKOQQFXKZ-HNNXBMFYSA-N 2 0 274.412 1.990 40 0 CDABRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306123040 392105571 /nfs/dbraw/zinc/10/55/71/392105571.db2.gz ADDWRTXHPGGWGV-AWEZNQCLSA-N 2 0 261.369 1.425 40 0 CDABRP c1nc(N2CCCC2)ncc1C[NH2+]CC1CC[NH2+]CC1 ZINC000062718489 392804492 /nfs/dbraw/zinc/80/44/92/392804492.db2.gz YANXBAWZSUPKSB-UHFFFAOYSA-N 2 0 275.400 1.166 40 0 CDABRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168818 188361695 /nfs/dbraw/zinc/36/16/95/188361695.db2.gz WMZPXJDZGQYJMN-OIISXLGYSA-N 2 0 276.424 1.910 40 0 CDABRP C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000081297689 358120568 /nfs/dbraw/zinc/12/05/68/358120568.db2.gz WMIQYRZFOJDKPI-OAHLLOKOSA-N 2 0 298.390 1.830 40 0 CDABRP CC(=O)OC1[C@@H](C[NH+](C)C)CCC[C@H]1C[NH+](C)C ZINC000001717978 278218135 /nfs/dbraw/zinc/21/81/35/278218135.db2.gz ORMYPAKOOYODQY-PBWFPOADSA-N 2 0 256.390 1.458 40 0 CDABRP [NH3+][C@H]1CC[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000237932249 527413107 /nfs/dbraw/zinc/41/31/07/527413107.db2.gz YKNKEZGOBAZKJL-OLZOCXBDSA-N 2 0 267.417 1.542 40 0 CDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccoc1 ZINC000096056471 185077447 /nfs/dbraw/zinc/07/74/47/185077447.db2.gz SEORHUZFGIYJHB-CABCVRRESA-N 2 0 291.395 1.407 40 0 CDABRP C[N@H+](CCO)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393501 356989696 /nfs/dbraw/zinc/98/96/96/356989696.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 2 0 262.397 1.823 40 0 CDABRP C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404377 356991310 /nfs/dbraw/zinc/99/13/10/356991310.db2.gz ISPWQDMBNXNFRA-DZGCQCFKSA-N 2 0 275.396 1.505 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415300 356995362 /nfs/dbraw/zinc/99/53/62/356995362.db2.gz CEWPVKNRKQDVMT-HOTGVXAUSA-N 2 0 289.423 1.895 40 0 CDABRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019889857 374823050 /nfs/dbraw/zinc/82/30/50/374823050.db2.gz LNKXBJRJYVFVEV-IKGGRYGDSA-N 2 0 289.467 1.910 40 0 CDABRP CN(C(=O)Cn1ccnc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257325744 362587133 /nfs/dbraw/zinc/58/71/33/362587133.db2.gz WUFNXAJBELRPKY-AWEZNQCLSA-N 2 0 299.378 1.406 40 0 CDABRP NC(=[NH2+])Nc1ccc(-c2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000001561854 355938836 /nfs/dbraw/zinc/93/88/36/355938836.db2.gz BQKNONCLLPZFQK-UHFFFAOYSA-N 2 0 268.324 1.964 40 0 in-vitro CDABRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404374 356991062 /nfs/dbraw/zinc/99/10/62/356991062.db2.gz ISPWQDMBNXNFRA-ZFWWWQNUSA-N 2 0 275.396 1.505 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407348 356991466 /nfs/dbraw/zinc/99/14/66/356991466.db2.gz NQRYKVZMTLREBU-RWMBFGLXSA-N 2 0 255.406 1.443 40 0 CDABRP C[C@@H]1CC(C)(C)NCC[NH2+]C(C)(C)C[C@H](C)NCC[NH2+]1 ZINC000095101058 296286484 /nfs/dbraw/zinc/28/64/84/296286484.db2.gz OXCGREHPAHBDLU-OKILXGFUSA-N 2 0 284.492 1.473 40 0 CDABRP C[NH+](C)CCO[C@H]1C[N@H+](Cc2cccs2)[C@@H]2COC[C@H]12 ZINC000096184983 256814733 /nfs/dbraw/zinc/81/47/33/256814733.db2.gz MEYXTQGVSAAUTR-ZNMIVQPWSA-N 2 0 296.436 1.526 40 0 CDABRP C[NH+]1CCN(c2ncccc2[C@@H]2CCCC[NH2+]2)CC1 ZINC000072216594 390622151 /nfs/dbraw/zinc/62/21/51/390622151.db2.gz ZFNFZKBQZGLDCL-AWEZNQCLSA-N 2 0 260.385 1.648 40 0 CDABRP CC[C@H]([NH3+])c1cnc(N2CC[NH+](CC)CC2)c(C)c1 ZINC000072222593 390623369 /nfs/dbraw/zinc/62/33/69/390623369.db2.gz ZODSKVUQJDKGOC-AWEZNQCLSA-N 2 0 262.401 1.942 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242728165 261267098 /nfs/dbraw/zinc/26/70/98/261267098.db2.gz YVXAUXLXZNYEJP-YDHLFZDLSA-N 2 0 281.444 1.834 40 0 CDABRP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](CCc1ccccc1)C2 ZINC000096108255 185099927 /nfs/dbraw/zinc/09/99/27/185099927.db2.gz SJLLYBWQQUNAOM-SJORKVTESA-N 2 0 274.408 1.739 40 0 CDABRP C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)CC[NH3+])ccn1 ZINC000257305081 282145640 /nfs/dbraw/zinc/14/56/40/282145640.db2.gz SOJFNVCDGNISIX-CQSZACIVSA-N 2 0 276.384 1.156 40 0 CDABRP CC(C)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404250 356989907 /nfs/dbraw/zinc/98/99/07/356989907.db2.gz RBWCFZVBMBVXRM-INIZCTEOSA-N 2 0 289.423 1.704 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415387 356995041 /nfs/dbraw/zinc/99/50/41/356995041.db2.gz GQXMBPXAJSCSAO-HOCLYGCPSA-N 2 0 289.423 1.704 40 0 CDABRP C[C@]12CCCN(C(=O)C[NH+]3CCCC3)[C@@H]1CCC[NH2+]2 ZINC000257211492 190012046 /nfs/dbraw/zinc/01/20/46/190012046.db2.gz BZBCSZQQDKSOQX-HIFRSBDPSA-N 2 0 265.401 1.215 40 0 CDABRP C[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+] ZINC000079414514 390421326 /nfs/dbraw/zinc/42/13/26/390421326.db2.gz FXFUTWYIESLTGP-MRXNPFEDSA-N 2 0 261.413 1.932 40 0 CDABRP Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@@H](C)[NH3+] ZINC000072224756 390624636 /nfs/dbraw/zinc/62/46/36/390624636.db2.gz DONRDSXCXGRWGD-GFCCVEGCSA-N 2 0 262.401 1.940 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407543 280271222 /nfs/dbraw/zinc/27/12/22/280271222.db2.gz FHSSIEWIEGGRHJ-UPJWGTAASA-N 2 0 255.406 1.301 40 0 CDABRP CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@@H]2O1 ZINC000096100360 185097572 /nfs/dbraw/zinc/09/75/72/185097572.db2.gz ZXCGKFLKPFHICG-OAGGEKHMSA-N 2 0 292.427 1.350 40 0 CDABRP O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000247394429 342232385 /nfs/dbraw/zinc/23/23/85/342232385.db2.gz MANDDTJKNPGWKZ-SOUVJXGZSA-N 2 0 280.412 1.794 40 0 CDABRP C[NH+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010324321 348735196 /nfs/dbraw/zinc/73/51/96/348735196.db2.gz CKNGIQNJJDJUGJ-UHFFFAOYSA-N 2 0 289.423 1.964 40 0 CDABRP C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[NH+]1CCCC1)C2 ZINC000257341009 190036961 /nfs/dbraw/zinc/03/69/61/190036961.db2.gz ZILOBMVAJVTXCT-MPTYRVRUSA-N 2 0 291.439 1.556 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414590 285116684 /nfs/dbraw/zinc/11/66/84/285116684.db2.gz IDLVWQTXVFCCKK-MRXNPFEDSA-N 2 0 261.413 1.932 40 0 CDABRP CCCC[NH+](CCCC)C[C@@H](O)CN1CCC[NH2+]CC1 ZINC000064875821 390474621 /nfs/dbraw/zinc/47/46/21/390474621.db2.gz NEPUOKIEOSGBMX-MRXNPFEDSA-N 2 0 285.476 1.545 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000242437534 279240107 /nfs/dbraw/zinc/24/01/07/279240107.db2.gz CEWPVKNRKQDVMT-CVEARBPZSA-N 2 0 289.423 1.895 40 0 CDABRP C[NH+](C)C[C@@H]1OC[C@@H]2C[N@H+](Cc3ccco3)CC[C@H]12 ZINC000096057578 185077686 /nfs/dbraw/zinc/07/76/86/185077686.db2.gz GUNFPDHBYGIASN-QEJZJMRPSA-N 2 0 264.369 1.678 40 0 CDABRP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013646325 356351752 /nfs/dbraw/zinc/35/17/52/356351752.db2.gz AHMLGZWRWPOAKW-UHFFFAOYSA-N 2 0 275.396 1.574 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@H+](C)C1)C(C)C ZINC000079407688 356991550 /nfs/dbraw/zinc/99/15/50/356991550.db2.gz PQAYVJPHLNGMAE-STQMWFEESA-N 2 0 255.406 1.158 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@H+](C)C2CC2)CC1 ZINC000079419651 356994968 /nfs/dbraw/zinc/99/49/68/356994968.db2.gz AHHOULKIHKEEJZ-ZDUSSCGKSA-N 2 0 253.390 1.055 40 0 CDABRP Cn1ccnc1N1CCN(Cc2ccccn2)CC1 ZINC000013694384 366497741 /nfs/dbraw/zinc/49/77/41/366497741.db2.gz HGVLJNXIIAGZJO-UHFFFAOYSA-N 2 0 257.341 1.137 40 0 CDABRP Cc1noc(C)c1CN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306124506 374967570 /nfs/dbraw/zinc/96/75/70/374967570.db2.gz BRWSGSLHBLAZRB-OAHLLOKOSA-N 2 0 279.384 1.493 40 0 CDABRP C[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216357 390620948 /nfs/dbraw/zinc/62/09/48/390620948.db2.gz SWJQOOXJCRPJOU-AWEZNQCLSA-N 2 0 260.385 1.648 40 0 CDABRP CCCC[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124245 391134836 /nfs/dbraw/zinc/13/48/36/391134836.db2.gz MVOPJMPKNCXIHX-ZDUSSCGKSA-N 2 0 255.406 1.304 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH+](C)CC1 ZINC000079407739 280271700 /nfs/dbraw/zinc/27/17/00/280271700.db2.gz AZTWKDNZQGYHQZ-ZDUSSCGKSA-N 2 0 253.390 1.055 40 0 CDABRP CCCC[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124248 517571480 /nfs/dbraw/zinc/57/14/80/517571480.db2.gz MVOPJMPKNCXIHX-CYBMUJFWSA-N 2 0 255.406 1.304 40 0 CDABRP C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096047924 358706482 /nfs/dbraw/zinc/70/64/82/358706482.db2.gz SWLWRKRQWBOXQC-OAHLLOKOSA-N 2 0 275.396 1.767 40 0 CDABRP COc1ccccc1[C@H]1C[NH2+]CCN1C1CC[NH+](C)CC1 ZINC000257333797 374421516 /nfs/dbraw/zinc/42/15/16/374421516.db2.gz YDBYJPCZGIQNNR-MRXNPFEDSA-N 2 0 289.423 1.736 40 0 CDABRP [NH3+][C@@H]1CC[C@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000237995231 390897363 /nfs/dbraw/zinc/89/73/63/390897363.db2.gz YKNKEZGOBAZKJL-QWHCGFSZSA-N 2 0 267.417 1.542 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(CC1CC[NH+](C)CC1)C1CC1 ZINC000079407759 356991202 /nfs/dbraw/zinc/99/12/02/356991202.db2.gz CCFGBUVDMGOJFT-AWEZNQCLSA-N 2 0 267.417 1.303 40 0 CDABRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000079414143 356993597 /nfs/dbraw/zinc/99/35/97/356993597.db2.gz CNHDZXLIJZJLLK-UHFFFAOYSA-N 2 0 262.397 1.823 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000079415378 356995139 /nfs/dbraw/zinc/99/51/39/356995139.db2.gz HTQJBDSJAJZALQ-HOCLYGCPSA-N 2 0 289.423 1.847 40 0 CDABRP C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096047926 358706301 /nfs/dbraw/zinc/70/63/01/358706301.db2.gz LBODDXRRGVTJTA-OAHLLOKOSA-N 2 0 275.396 1.767 40 0 CDABRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000236724934 276056370 /nfs/dbraw/zinc/05/63/70/276056370.db2.gz MQISTURNOQKZSR-CABCVRRESA-N 2 0 275.396 1.536 40 0 CDABRP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096047925 276846037 /nfs/dbraw/zinc/84/60/37/276846037.db2.gz SWLWRKRQWBOXQC-HNNXBMFYSA-N 2 0 275.396 1.767 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079415440 279239658 /nfs/dbraw/zinc/23/96/58/279239658.db2.gz DYPWIISJAITNTC-HOCLYGCPSA-N 2 0 289.423 1.847 40 0 CDABRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000156170868 188246765 /nfs/dbraw/zinc/24/67/65/188246765.db2.gz SOKBCLLBRVHMEP-INIZCTEOSA-N 2 0 281.444 1.123 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404398 356990640 /nfs/dbraw/zinc/99/06/40/356990640.db2.gz KHQLSUOAUCYAAW-JSGCOSHPSA-N 2 0 261.369 1.067 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419630 358069827 /nfs/dbraw/zinc/06/98/27/358069827.db2.gz IFJINVRGEKFDBW-STQMWFEESA-N 2 0 253.390 1.055 40 0 CDABRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](C)C(=O)OC ZINC000035133628 356829679 /nfs/dbraw/zinc/82/96/79/356829679.db2.gz RKHDUKJSSNGETH-QWHCGFSZSA-N 2 0 258.406 1.896 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407636 356991245 /nfs/dbraw/zinc/99/12/45/356991245.db2.gz BFZCJDZRIBIADC-IHRRRGAJSA-N 2 0 269.433 1.691 40 0 CDABRP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]([NH+](C)C)CO2)CC1 ZINC000096158614 358709912 /nfs/dbraw/zinc/70/99/12/358709912.db2.gz JCUFEXTXHPUEHP-CQSZACIVSA-N 2 0 293.411 1.977 40 0 CDABRP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C4(CCOCC4)[C@H]3C2)cc1 ZINC000257202046 190010893 /nfs/dbraw/zinc/01/08/93/190010893.db2.gz AKGCSQFTEHYNIJ-CVEARBPZSA-N 2 0 272.392 1.887 40 0 CDABRP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079415164 390421451 /nfs/dbraw/zinc/42/14/51/390421451.db2.gz GEMGMSIYTUDBGY-CQSZACIVSA-N 2 0 261.369 1.068 40 0 CDABRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000040429365 174259378 /nfs/dbraw/zinc/25/93/78/174259378.db2.gz LAARGSZUIVGPHD-AWEZNQCLSA-N 2 0 261.369 1.116 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407529 356991334 /nfs/dbraw/zinc/99/13/34/356991334.db2.gz FHSSIEWIEGGRHJ-XQQFMLRXSA-N 2 0 255.406 1.301 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415357 356995269 /nfs/dbraw/zinc/99/52/69/356995269.db2.gz XFYQWHBVDUWOKS-ZFWWWQNUSA-N 2 0 275.396 1.314 40 0 CDABRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH2+]CC2 ZINC000306128281 285009159 /nfs/dbraw/zinc/00/91/59/285009159.db2.gz GVXWWIGFRLUBFA-OAHLLOKOSA-N 2 0 282.428 1.504 40 0 CDABRP [NH3+][C@H](c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225517 390623030 /nfs/dbraw/zinc/62/30/30/390623030.db2.gz DFRPKIDIUPMUER-MRXNPFEDSA-N 2 0 268.364 1.539 40 0 CDABRP [NH2+]=C(NCCCCCC[NH3+])C(=[NH2+])NCCCCCC[NH3+] ZINC000005187751 170075017 /nfs/dbraw/zinc/07/50/17/170075017.db2.gz OFOXFCBVVSOTOQ-UHFFFAOYSA-N 4 0 284.452 1.158 40 0 CDABRP c1cncc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC000096240064 265345977 /nfs/dbraw/zinc/34/59/77/265345977.db2.gz IOGOUWUMOXZMLR-UHFFFAOYSA-N 2 0 261.369 1.284 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)C(C)C ZINC000079419615 280274970 /nfs/dbraw/zinc/27/49/70/280274970.db2.gz SKLYRXLGFFAHCD-MCIONIFRSA-N 2 0 269.433 1.737 40 0 CDABRP C[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000096100357 185097645 /nfs/dbraw/zinc/09/76/45/185097645.db2.gz GLWYFOPQKPUYKJ-KFWWJZLASA-N 2 0 261.369 1.233 40 0 CDABRP [NH3+]CCCCN(CCC[NH3+])C(=O)OCc1ccccc1 ZINC000001650370 355944002 /nfs/dbraw/zinc/94/40/02/355944002.db2.gz ADDDUQKJZAGBIG-UHFFFAOYSA-N 2 0 279.384 1.713 40 0 in-vivo CDABRP Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)o1 ZINC000096083153 185092949 /nfs/dbraw/zinc/09/29/49/185092949.db2.gz CMUZLFGRRJDEFE-YUELXQCFSA-N 2 0 264.369 1.739 40 0 CDABRP CCN(CC[NH3+])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393583 356989220 /nfs/dbraw/zinc/98/92/20/356989220.db2.gz XRKLSZQKTYEXMG-INIZCTEOSA-N 2 0 261.413 1.789 40 0 CDABRP CCN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407619 285022833 /nfs/dbraw/zinc/02/28/33/285022833.db2.gz GNJXIKOTGSOKCM-OLZOCXBDSA-N 2 0 255.406 1.160 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](C)C2CC2)C1 ZINC000079419646 390421407 /nfs/dbraw/zinc/42/14/07/390421407.db2.gz DIMKJEAXXAXJIF-OLZOCXBDSA-N 2 0 253.390 1.055 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407771 356990626 /nfs/dbraw/zinc/99/06/26/356990626.db2.gz FSLYSVPDBWEKLE-ZNMIVQPWSA-N 2 0 281.444 1.834 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000079419571 356995195 /nfs/dbraw/zinc/99/51/95/356995195.db2.gz ZKNRGUMMEURXAM-OLZOCXBDSA-N 2 0 255.406 1.301 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC000079419599 390421503 /nfs/dbraw/zinc/42/15/03/390421503.db2.gz RKKXNFFAXIAJOX-KBPBESRZSA-N 2 0 269.433 1.549 40 0 CDABRP CCCC[NH+](CCCC)C[C@@H](O)CN1CC[NH2+]CC1 ZINC000045919684 391535159 /nfs/dbraw/zinc/53/51/59/391535159.db2.gz RMRCZZXKRPOLIM-OAHLLOKOSA-N 2 0 271.449 1.155 40 0 CDABRP CC1(C)[C@H]2CC[C@]1(C)[C@@]([C@@H](C[NH3+])CO)([NH+]1CCOCC1)C2 ZINC000072210472 342272757 /nfs/dbraw/zinc/27/27/57/342272757.db2.gz UIXKQOSLDXLKKT-NXNVCVFFSA-N 2 0 296.455 1.471 40 0 CDABRP O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000005456203 344864650 /nfs/dbraw/zinc/86/46/50/344864650.db2.gz MANDDTJKNPGWKZ-KKUMJFAQSA-N 2 0 280.412 1.794 40 0 CDABRP C[NH+]1CCC(COC[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)CC1 ZINC000107491878 186175722 /nfs/dbraw/zinc/17/57/22/186175722.db2.gz YLNBUUULDBJCBV-RBSFLKMASA-N 2 0 268.401 1.254 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](C)C(C)C)C1 ZINC000079419584 356995296 /nfs/dbraw/zinc/99/52/96/356995296.db2.gz MCGFLHVDCRXJPS-OLZOCXBDSA-N 2 0 255.406 1.301 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000079426707 356996790 /nfs/dbraw/zinc/99/67/90/356996790.db2.gz NFFHSAMMQNQGRC-KGLIPLIRSA-N 2 0 269.433 1.549 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178261 358643303 /nfs/dbraw/zinc/64/33/03/358643303.db2.gz DMSWSUAKELNOBM-IYBDPMFKSA-N 2 0 289.423 1.895 40 0 CDABRP C[NH+](C)Cc1cncc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000096189459 358715976 /nfs/dbraw/zinc/71/59/76/358715976.db2.gz JPUOJIHSPDHRGS-UHFFFAOYSA-N 2 0 275.396 1.680 40 0 CDABRP Cc1nn(C)cc1C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000096523712 390537320 /nfs/dbraw/zinc/53/73/20/390537320.db2.gz JKYOZRDYDLWRCY-ZDUSSCGKSA-N 2 0 250.390 1.550 40 0 CDABRP CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216573 390622298 /nfs/dbraw/zinc/62/22/98/390622298.db2.gz BLNBEPWRWBDJKX-OAHLLOKOSA-N 2 0 274.412 1.990 40 0 CDABRP CC[NH+](CC)Cc1cnc2n1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096067883 279138920 /nfs/dbraw/zinc/13/89/20/279138920.db2.gz YDETXXVEMPSNBD-AWEZNQCLSA-N 2 0 292.427 1.372 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC000079419591 356994609 /nfs/dbraw/zinc/99/46/09/356994609.db2.gz LPIIWSPRJOHYND-KGLIPLIRSA-N 2 0 269.433 1.691 40 0 CDABRP CC[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216333 390621368 /nfs/dbraw/zinc/62/13/68/390621368.db2.gz JRNKERXKHOBHML-CQSZACIVSA-N 2 0 260.385 1.648 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415294 276142558 /nfs/dbraw/zinc/14/25/58/276142558.db2.gz CEWPVKNRKQDVMT-JKSUJKDBSA-N 2 0 289.423 1.895 40 0 CDABRP C[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O1 ZINC000096100356 185098339 /nfs/dbraw/zinc/09/83/39/185098339.db2.gz BSSVWVQCELLZSO-YUELXQCFSA-N 2 0 261.369 1.233 40 0 CDABRP COC[C@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](C)CC2 ZINC000585103052 342212673 /nfs/dbraw/zinc/21/26/73/342212673.db2.gz LIJWIPIYIUBQOS-OAHLLOKOSA-N 2 0 289.423 1.872 40 0 CDABRP CCN(C(=O)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404184 356989845 /nfs/dbraw/zinc/98/98/45/356989845.db2.gz SLSGVCNCZMADIW-AWEZNQCLSA-N 2 0 261.369 1.068 40 0 CDABRP COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000100809292 358834900 /nfs/dbraw/zinc/83/49/00/358834900.db2.gz RFDJANVOBOZAHE-OKILXGFUSA-N 2 0 262.353 1.833 40 0 CDABRP C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH2+]C2)C1CC1 ZINC000306135678 374970288 /nfs/dbraw/zinc/97/02/88/374970288.db2.gz OXNUHKWLCVMNJY-HOTGVXAUSA-N 2 0 264.413 1.735 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC000079419596 390421818 /nfs/dbraw/zinc/42/18/18/390421818.db2.gz RKKXNFFAXIAJOX-KGLIPLIRSA-N 2 0 269.433 1.549 40 0 CDABRP C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)CC[NH3+])ccn1 ZINC000257305080 289223316 /nfs/dbraw/zinc/22/33/16/289223316.db2.gz SOJFNVCDGNISIX-AWEZNQCLSA-N 2 0 276.384 1.156 40 0 CDABRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC ZINC000218871293 333137675 /nfs/dbraw/zinc/13/76/75/333137675.db2.gz FNVWYGBIEXEYCD-STQMWFEESA-N 2 0 264.369 1.716 40 0 CDABRP C[NH+](C)[C@@]1([C@@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000072210464 342272746 /nfs/dbraw/zinc/27/27/46/342272746.db2.gz SYVBJXKIQQWHLO-NZBPQXDJSA-N 2 0 254.418 1.700 40 0 CDABRP OCCN1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993177 /nfs/dbraw/zinc/99/31/77/356993177.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 2 0 274.408 1.965 40 0 CDABRP COc1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096531572 390541646 /nfs/dbraw/zinc/54/16/46/390541646.db2.gz WYDYLQCSMMRNEF-UHFFFAOYSA-N 2 0 276.380 1.650 40 0 CDABRP Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222543 390622864 /nfs/dbraw/zinc/62/28/64/390622864.db2.gz SQZUXRSLMMUMSE-MRXNPFEDSA-N 2 0 282.391 1.848 40 0 CDABRP C[N@@H+](Cc1ccccc1)CC1CCN(CC[NH3+])CC1 ZINC000079414546 356993437 /nfs/dbraw/zinc/99/34/37/356993437.db2.gz KEJOSBVESHCZPS-UHFFFAOYSA-N 3 0 261.413 1.789 40 0 CDABRP c1cc(Nc2ccc(N3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC000217505441 375660846 /nfs/dbraw/zinc/66/08/46/375660846.db2.gz ZXAUARAEFYSXGM-UHFFFAOYSA-N 2 0 256.313 1.025 40 0 CDABRP C[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216567 390622229 /nfs/dbraw/zinc/62/22/29/390622229.db2.gz ZCJMLWJMUMLCHN-AWEZNQCLSA-N 2 0 260.385 1.600 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)C1CCC([NH+](C)C)CC1 ZINC000079407765 390820363 /nfs/dbraw/zinc/82/03/63/390820363.db2.gz YVXAUXLXZNYEJP-PIMMBPRGSA-N 2 0 281.444 1.834 40 0 CDABRP COc1c2c(c([C@@H](C)[NH3+])c3c1C[N@H+](C)CC3)OCO2 ZINC000242548037 391942769 /nfs/dbraw/zinc/94/27/69/391942769.db2.gz KZXTZZCMYAOSHW-MRVPVSSYSA-N 2 0 264.325 1.432 40 0 CDABRP [NH3+]C/C=C\COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000026892909 171501922 /nfs/dbraw/zinc/50/19/22/171501922.db2.gz LSWHRGCYVNXXLD-DJWKRKHSSA-N 2 0 261.369 1.961 40 0 in-vitro CDABRP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000100177603 358642976 /nfs/dbraw/zinc/64/29/76/358642976.db2.gz AVBMFYNMCVGMCZ-CWRNSKLLSA-N 2 0 289.423 1.893 40 0 CDABRP CCOC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884207 361661701 /nfs/dbraw/zinc/66/17/01/361661701.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 2 0 280.412 1.888 40 0 CDABRP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C4(CCOCC4)[C@@H]3C2)cc1 ZINC000257202048 190010960 /nfs/dbraw/zinc/01/09/60/190010960.db2.gz AKGCSQFTEHYNIJ-HZPDHXFCSA-N 2 0 272.392 1.887 40 0 CDABRP CN1CCC[NH+](C)CCCN(C)CCC[NH+](C)CCC1 ZINC000005823069 390164888 /nfs/dbraw/zinc/16/48/88/390164888.db2.gz WWONSCWAHMKWLB-UHFFFAOYSA-N 2 0 284.492 1.288 40 0 CDABRP C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216356 390620925 /nfs/dbraw/zinc/62/09/25/390620925.db2.gz SWJQOOXJCRPJOU-CQSZACIVSA-N 2 0 260.385 1.648 40 0 CDABRP Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000072222544 390623104 /nfs/dbraw/zinc/62/31/04/390623104.db2.gz SQZUXRSLMMUMSE-INIZCTEOSA-N 2 0 282.391 1.848 40 0 CDABRP [NH3+][C@H]1CC[C@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000237939755 390891812 /nfs/dbraw/zinc/89/18/12/390891812.db2.gz YKNKEZGOBAZKJL-STQMWFEESA-N 2 0 267.417 1.542 40 0 CDABRP CN1CC[NH+]([C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC000096048867 390912462 /nfs/dbraw/zinc/91/24/62/390912462.db2.gz QJJXYAWKDDCFQC-INIZCTEOSA-N 2 0 293.455 1.267 40 0 CDABRP COc1ccc(OC)c2c(N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000032500242 392222610 /nfs/dbraw/zinc/22/26/10/392222610.db2.gz CJGXVQQCXZXIHP-UHFFFAOYSA-N 2 0 287.363 1.970 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000079426710 280271771 /nfs/dbraw/zinc/27/17/71/280271771.db2.gz NFFHSAMMQNQGRC-KBPBESRZSA-N 2 0 269.433 1.549 40 0 CDABRP C[NH+]1CCN(c2ccc([C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000072216537 390620815 /nfs/dbraw/zinc/62/08/15/390620815.db2.gz XRVZVLATRZIVIU-OAHLLOKOSA-N 2 0 274.412 1.990 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177534 280271721 /nfs/dbraw/zinc/27/17/21/280271721.db2.gz JSFZYVRNEPPVHN-XQQFMLRXSA-N 2 0 255.406 1.301 40 0 CDABRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000002556638 356084669 /nfs/dbraw/zinc/08/46/69/356084669.db2.gz GOWRWGKBZOPGCT-AWEZNQCLSA-N 2 0 257.337 1.845 40 0 in-vitro CDABRP CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404216 356989443 /nfs/dbraw/zinc/98/94/43/356989443.db2.gz FGPBFSWYEDBUFL-INIZCTEOSA-N 2 0 289.423 1.848 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415513 356995503 /nfs/dbraw/zinc/99/55/03/356995503.db2.gz DKEAUQXYWFHRRV-GOEBONIOSA-N 2 0 289.423 1.845 40 0 CDABRP CCN(CC)c1cc(N2CCC[C@H]([NH2+]C)C2)ncn1 ZINC000079440082 358069743 /nfs/dbraw/zinc/06/97/43/358069743.db2.gz KAKCSGJYXYNDKU-LBPRGKRZSA-N 2 0 263.389 1.511 40 0 CDABRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000162279285 371276898 /nfs/dbraw/zinc/27/68/98/371276898.db2.gz AILDBYOVXGCLFX-GFCCVEGCSA-N 2 0 255.406 1.208 40 0 CDABRP O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000253494412 342429909 /nfs/dbraw/zinc/42/99/09/342429909.db2.gz XKRNTOCNSGQSIM-LSDHHAIUSA-N 2 0 280.412 1.794 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404426 356991237 /nfs/dbraw/zinc/99/12/37/356991237.db2.gz ACSZSSLFXHXYAJ-GOEBONIOSA-N 2 0 289.423 1.847 40 0 CDABRP CCOC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884185 361661350 /nfs/dbraw/zinc/66/13/50/361661350.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 2 0 280.412 1.888 40 0 CDABRP C[NH+](C)[C@@]1([C@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000225467416 374467019 /nfs/dbraw/zinc/46/70/19/374467019.db2.gz SYVBJXKIQQWHLO-MYZSUADSSA-N 2 0 254.418 1.700 40 0 CDABRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000225467811 374468133 /nfs/dbraw/zinc/46/81/33/374468133.db2.gz WQNWUCRAKYLYLQ-KBPBESRZSA-N 2 0 296.459 1.595 40 0 CDABRP c1ccc(C[N@H+]2C[C@H]3[C@@H](C[NH2+]C34CCOCC4)C2)cc1 ZINC000257202047 190010819 /nfs/dbraw/zinc/01/08/19/190010819.db2.gz AKGCSQFTEHYNIJ-HOTGVXAUSA-N 2 0 272.392 1.887 40 0 CDABRP CC(C)N(C(=O)C[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404258 390421766 /nfs/dbraw/zinc/42/17/66/390421766.db2.gz MSXANNZUDCQRGW-INIZCTEOSA-N 2 0 289.423 1.847 40 0 CDABRP CCN(C(=O)[C@H](C)[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404466 279009422 /nfs/dbraw/zinc/00/94/22/279009422.db2.gz HEEKWHGBIBGHAL-AWEZNQCLSA-N 2 0 289.423 1.847 40 0 CDABRP C[NH+](C)[C@]1([C@@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351079 361914319 /nfs/dbraw/zinc/91/43/19/361914319.db2.gz SYVBJXKIQQWHLO-JURCDPSOSA-N 2 0 254.418 1.700 40 0 CDABRP C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000081297685 358120535 /nfs/dbraw/zinc/12/05/35/358120535.db2.gz WMIQYRZFOJDKPI-HNNXBMFYSA-N 2 0 298.390 1.830 40 0 CDABRP CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](CC3CC3)C[C@@H]2O1 ZINC000096056662 390912400 /nfs/dbraw/zinc/91/24/00/390912400.db2.gz QNDFUQTYYXSBAD-KFWWJZLASA-N 2 0 252.402 1.826 40 0 CDABRP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)C[NH3+] ZINC000079404176 177478534 /nfs/dbraw/zinc/47/85/34/177478534.db2.gz MFKGPEYGLGRIDV-UHFFFAOYSA-N 2 0 275.396 1.316 40 0 CDABRP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1[nH+]ccn1C ZINC000096081924 185090874 /nfs/dbraw/zinc/09/08/74/185090874.db2.gz DMUYXOFAMKQXTI-LXTVHRRPSA-N 2 0 292.427 1.561 40 0 CDABRP CC[NH+](CC)CC[C@@H](CNC(N)=[NH2+])c1ccccc1 ZINC000001652053 355944055 /nfs/dbraw/zinc/94/40/55/355944055.db2.gz HCIQVJVSJDZCGW-AWEZNQCLSA-N 2 0 262.401 1.985 40 0 CDABRP CN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404136 356989352 /nfs/dbraw/zinc/98/93/52/356989352.db2.gz QHFGUARBQAPOPI-AWEZNQCLSA-N 2 0 261.369 1.068 40 0 CDABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404440 356991529 /nfs/dbraw/zinc/99/15/29/356991529.db2.gz YTKGBOYCSMWFEA-ZFWWWQNUSA-N 2 0 275.396 1.457 40 0 CDABRP CC(C)(CO)[NH2+]C[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)CO)C1 ZINC000001609958 390139730 /nfs/dbraw/zinc/13/97/30/390139730.db2.gz NBPJBJTZBUACAH-ZIAGYGMSSA-N 2 0 286.460 1.514 40 0 CDABRP CCN1CCC[N@H+](C)CCN(C)CCC[NH+](CC)CC1 ZINC000034743437 356818917 /nfs/dbraw/zinc/81/89/17/356818917.db2.gz VCLFGLKCBWDOJQ-UHFFFAOYSA-N 2 0 284.492 1.288 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000079415393 356994780 /nfs/dbraw/zinc/99/47/80/356994780.db2.gz JOOJYLKRGFGZJI-AWEZNQCLSA-N 2 0 289.423 1.704 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415468 356995241 /nfs/dbraw/zinc/99/52/41/356995241.db2.gz PVIIIXQVYWHOCM-HOCLYGCPSA-N 2 0 289.423 1.847 40 0 CDABRP [NH3+]CCCN1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000072398102 357832957 /nfs/dbraw/zinc/83/29/57/357832957.db2.gz HHMYGCZDAYDUNI-UHFFFAOYSA-N 2 0 261.369 1.070 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415608 279392444 /nfs/dbraw/zinc/39/24/44/279392444.db2.gz CIASLNONSWAZDC-BBRMVZONSA-N 2 0 287.407 1.599 40 0 CDABRP C[NH+](C)[Si](c1ccccc1)(c1ccccc1)[NH+](C)C ZINC000195763162 289401745 /nfs/dbraw/zinc/40/17/45/289401745.db2.gz FTURFVPIEOKJBC-UHFFFAOYSA-N 2 0 270.452 1.366 40 0 CDABRP CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404227 356989567 /nfs/dbraw/zinc/98/95/67/356989567.db2.gz FBTPCJVPZGJPPR-INIZCTEOSA-N 2 0 289.423 1.706 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@H+](C)C2CC2)CC1 ZINC000079419672 356994855 /nfs/dbraw/zinc/99/48/55/356994855.db2.gz UDUWAYCDQYFANT-YIZWMMSDSA-N 2 0 267.417 1.491 40 0 CDABRP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079424351 356996694 /nfs/dbraw/zinc/99/66/94/356996694.db2.gz ITJOLDJGJYZJFD-MRXNPFEDSA-N 2 0 289.423 1.847 40 0 CDABRP [NH3+]CCN1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414711 358070060 /nfs/dbraw/zinc/07/00/60/358070060.db2.gz AMWDPMTZSPEQQU-INIZCTEOSA-N 2 0 259.397 1.684 40 0 CDABRP Cc1noc(C)c1CN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306124505 374967505 /nfs/dbraw/zinc/96/75/05/374967505.db2.gz BRWSGSLHBLAZRB-HNNXBMFYSA-N 2 0 279.384 1.493 40 0 CDABRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306130471 374968282 /nfs/dbraw/zinc/96/82/82/374968282.db2.gz JHKGJFIQZQPKEW-GFCCVEGCSA-N 2 0 250.342 1.623 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC000079419593 390421783 /nfs/dbraw/zinc/42/17/83/390421783.db2.gz LPIIWSPRJOHYND-KBPBESRZSA-N 2 0 269.433 1.691 40 0 CDABRP O[C@H]1CC[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096949617 185138402 /nfs/dbraw/zinc/13/84/02/185138402.db2.gz WLTDPHYLZCPVBG-HNNXBMFYSA-N 2 0 260.381 1.623 40 0 CDABRP CC1(C)[C@@H]2CC[C@@]1(C)[C@@]([C@@H](C[NH3+])CO)([NH+]1CCOCC1)C2 ZINC000072210473 342272804 /nfs/dbraw/zinc/27/28/04/342272804.db2.gz UIXKQOSLDXLKKT-YALNPMBYSA-N 2 0 296.455 1.471 40 0 CDABRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[NH3+] ZINC000157279375 188308104 /nfs/dbraw/zinc/30/81/04/188308104.db2.gz CWNFSNWVWZFQLI-LBPRGKRZSA-N 2 0 263.385 1.444 40 0 CDABRP C[NH+](C)CCC[NH2+]C1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000001728344 355949981 /nfs/dbraw/zinc/94/99/81/355949981.db2.gz GSRQITHOFKKOPX-UHFFFAOYSA-N 4 0 284.492 1.380 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404428 356990603 /nfs/dbraw/zinc/99/06/03/356990603.db2.gz LCVCIUWYMTZNGL-HOCLYGCPSA-N 2 0 289.423 1.704 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404432 356991360 /nfs/dbraw/zinc/99/13/60/356991360.db2.gz LCVCIUWYMTZNGL-GOEBONIOSA-N 2 0 289.423 1.704 40 0 CDABRP COC(=O)c1cccc(C[NH2+][C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000100809505 358835100 /nfs/dbraw/zinc/83/51/00/358835100.db2.gz JNDDOVXBBWTWRF-OKILXGFUSA-N 2 0 262.353 1.833 40 0 CDABRP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1 ZINC000019795706 367280629 /nfs/dbraw/zinc/28/06/29/367280629.db2.gz QZBMFDWYLAINFN-CQSZACIVSA-N 2 0 293.411 1.341 40 0 CDABRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000192546189 378199794 /nfs/dbraw/zinc/19/97/94/378199794.db2.gz ALGNQLMLAXQSGJ-JKSUJKDBSA-N 2 0 283.375 1.708 40 0 CDABRP CCSc1ncc(C[NH2+]CCCn2ccnc2)cn1 ZINC000062717320 262298936 /nfs/dbraw/zinc/29/89/36/262298936.db2.gz OTLZFGIYVKNEDG-UHFFFAOYSA-N 2 0 277.397 1.965 40 0 CDABRP Cc1n[nH]c(C)c1CCC[NH+]1CCC(C[NH3+])CC1 ZINC000096523624 390536720 /nfs/dbraw/zinc/53/67/20/390536720.db2.gz AUKCALCCEYNATC-UHFFFAOYSA-N 2 0 250.390 1.630 40 0 CDABRP CC[NH+](CC)CCOC(=O)OCC[NH+](CC)CC ZINC000001634188 355943199 /nfs/dbraw/zinc/94/31/99/355943199.db2.gz XFZGERCUSZURML-UHFFFAOYSA-N 2 0 260.378 1.823 40 0 CDABRP COc1ccc(C[C@@H](O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000001684130 355946880 /nfs/dbraw/zinc/94/68/80/355946880.db2.gz PEAGLTLSPBGSPJ-MRXNPFEDSA-N 2 0 292.423 1.659 40 0 CDABRP [NH3+]CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393637 356989213 /nfs/dbraw/zinc/98/92/13/356989213.db2.gz NQTLGKMIWNCZHI-MRXNPFEDSA-N 2 0 273.424 1.932 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415361 356994495 /nfs/dbraw/zinc/99/44/95/356994495.db2.gz DTZIWVGVIOYQRB-ZFWWWQNUSA-N 2 0 275.396 1.457 40 0 CDABRP CC1(C)C[C@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])O1 ZINC000585284938 342258640 /nfs/dbraw/zinc/25/86/40/342258640.db2.gz KLAHWLAEJMRMNR-AVGNSLFASA-N 2 0 283.416 1.001 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414635 356993268 /nfs/dbraw/zinc/99/32/68/356993268.db2.gz OJAFGUFLTDSKFF-INIZCTEOSA-N 2 0 261.413 1.930 40 0 CDABRP [NH3+]CCN1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414727 356993794 /nfs/dbraw/zinc/99/37/94/356993794.db2.gz HYAIFPQYZDAYLC-INIZCTEOSA-N 2 0 273.424 1.932 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424358 356996170 /nfs/dbraw/zinc/99/61/70/356996170.db2.gz QMJDPZMDTXDMJT-INIZCTEOSA-N 2 0 289.423 1.847 40 0 CDABRP CC(C)C[NH+](CC(C)C)C[C@@H](O)CN1CCC[NH2+]CC1 ZINC000064875816 357235730 /nfs/dbraw/zinc/23/57/30/357235730.db2.gz SZEVXZXHTFVUKU-INIZCTEOSA-N 2 0 285.476 1.257 40 0 CDABRP CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404188 358068972 /nfs/dbraw/zinc/06/89/72/358068972.db2.gz ZQGIHLJCGMEUGZ-OAHLLOKOSA-N 2 0 275.396 1.458 40 0 CDABRP c1cn2c(n1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124247 374967617 /nfs/dbraw/zinc/96/76/17/374967617.db2.gz BKLCJVNESLNMKC-ZIAGYGMSSA-N 2 0 254.337 1.582 40 0 CDABRP CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2C(=O)CC[NH3+])cc1 ZINC000257209931 190012156 /nfs/dbraw/zinc/01/21/56/190012156.db2.gz BSLUXMSOIIDVPH-HNNXBMFYSA-N 2 0 291.395 1.296 40 0 CDABRP CC(C)Nc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718439 392804403 /nfs/dbraw/zinc/80/44/03/392804403.db2.gz GCUMCJSJQXOBHB-UHFFFAOYSA-N 2 0 263.389 1.386 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419674 280274773 /nfs/dbraw/zinc/27/47/73/280274773.db2.gz KADWGGGIEDKWBM-RDBSUJKOSA-N 2 0 267.417 1.491 40 0 CDABRP CC(C)Oc1ccc(C(C)(C)CNC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000027532740 1165706445 /nfs/dbraw/zinc/70/64/45/1165706445.db2.gz JJQYUDLMXWQWAC-UHFFFAOYSA-N 2 0 291.399 1.759 40 0 CDABRP COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH2+]CC2 ZINC000585102660 342212572 /nfs/dbraw/zinc/21/25/72/342212572.db2.gz AFZSCHZHIBOZPQ-CYBMUJFWSA-N 2 0 264.369 1.728 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407360 356991056 /nfs/dbraw/zinc/99/10/56/356991056.db2.gz NQRYKVZMTLREBU-XQQFMLRXSA-N 2 0 255.406 1.443 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415368 356994902 /nfs/dbraw/zinc/99/49/02/356994902.db2.gz DTZIWVGVIOYQRB-DZGCQCFKSA-N 2 0 275.396 1.457 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)C(C)C ZINC000079419609 356995732 /nfs/dbraw/zinc/99/57/32/356995732.db2.gz SKLYRXLGFFAHCD-RDBSUJKOSA-N 2 0 269.433 1.737 40 0 CDABRP COC[C@H]1C[N@H+](C)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096216611 358720955 /nfs/dbraw/zinc/72/09/55/358720955.db2.gz ZHPUHQNIQFFSMU-NVXWUHKLSA-N 2 0 289.423 1.790 40 0 CDABRP Cc1ccc(C[N@H+]2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000306129794 374968548 /nfs/dbraw/zinc/96/85/48/374968548.db2.gz INCAULLNBVFCDO-NWANDNLSSA-N 2 0 264.369 1.596 40 0 CDABRP NC(=[NH2+])NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058434350 375759152 /nfs/dbraw/zinc/75/91/52/375759152.db2.gz OLRFHRLDXKDCEF-UHFFFAOYSA-N 2 0 266.776 1.787 40 0 CDABRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000078489920 177346845 /nfs/dbraw/zinc/34/68/45/177346845.db2.gz RZJPCLLSSRXAQM-UHFFFAOYSA-N 2 0 278.400 1.644 40 0 CDABRP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc12 ZINC000002561079 355975148 /nfs/dbraw/zinc/97/51/48/355975148.db2.gz MNDZVJYQUMPBPZ-LBPRGKRZSA-N 2 0 289.335 1.106 40 0 CDABRP [NH3+]CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393636 356990149 /nfs/dbraw/zinc/99/01/49/356990149.db2.gz NQTLGKMIWNCZHI-INIZCTEOSA-N 2 0 273.424 1.932 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404418 356990917 /nfs/dbraw/zinc/99/09/17/356990917.db2.gz OBXYCEBSXNHPCQ-ZDUSSCGKSA-N 2 0 275.396 1.457 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407756 356991456 /nfs/dbraw/zinc/99/14/56/356991456.db2.gz HFXAYLSFHRGMQL-JSGCOSHPSA-N 2 0 267.417 1.303 40 0 CDABRP C[NH+]1CCN(c2ccc([C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000072225535 390624085 /nfs/dbraw/zinc/62/40/85/390624085.db2.gz VDSCHGWBYUKGNE-QGZVFWFLSA-N 2 0 282.391 1.882 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415328 278223984 /nfs/dbraw/zinc/22/39/84/278223984.db2.gz LDCVQMDQPKOYFP-JSGCOSHPSA-N 2 0 261.369 1.067 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247982703 280271726 /nfs/dbraw/zinc/27/17/26/280271726.db2.gz JSFZYVRNEPPVHN-AVGNSLFASA-N 2 0 255.406 1.301 40 0 CDABRP COc1c(Br)cc(C[NH3+])cc1C[NH+](C)C ZINC000225723508 333182271 /nfs/dbraw/zinc/18/22/71/333182271.db2.gz WTFMBYLCSJUJBX-UHFFFAOYSA-N 2 0 273.174 1.978 40 0 CDABRP [NH3+]CC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21 ZINC000096268289 256838812 /nfs/dbraw/zinc/83/88/12/256838812.db2.gz KWHHNKXJUHQBME-UHFFFAOYSA-N 2 0 279.771 1.267 40 0 CDABRP Cc1cc(N2CC[NH2+]CC2)ncc1[C@H]([NH3+])c1ccccc1 ZINC000072223585 390624093 /nfs/dbraw/zinc/62/40/93/390624093.db2.gz KSVWHRNYMDXNNQ-QGZVFWFLSA-N 2 0 282.391 1.848 40 0 CDABRP [NH3+][C@@H](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000021989078 171346346 /nfs/dbraw/zinc/34/63/46/171346346.db2.gz BIZHLXOOWGXFLC-BZSNNMDCSA-N 2 0 284.403 1.877 40 0 in-vitro CDABRP C[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101674799 342558282 /nfs/dbraw/zinc/55/82/82/342558282.db2.gz IVYFRJJQWNLGJP-HUUCEWRRSA-N 2 0 275.396 1.505 40 0 CDABRP CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404225 356989478 /nfs/dbraw/zinc/98/94/78/356989478.db2.gz FBTPCJVPZGJPPR-MRXNPFEDSA-N 2 0 289.423 1.706 40 0 CDABRP O=C1Nc2cccc[n+]2C1=C1C(=O)Nc2cccc[n+]21 ZINC000227014919 285243167 /nfs/dbraw/zinc/24/31/67/285243167.db2.gz ZXWRIXZOOFQCKJ-VAWYXSNFSA-P 2 0 266.260 1.291 40 0 CDABRP CC(C)(CO)[NH2+]C[C@H]1CCC[C@H](C[NH2+]C(C)(C)CO)C1 ZINC000001609959 390139713 /nfs/dbraw/zinc/13/97/13/390139713.db2.gz NBPJBJTZBUACAH-KBPBESRZSA-N 2 0 286.460 1.514 40 0 CDABRP CCCNc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718456 392804392 /nfs/dbraw/zinc/80/43/92/392804392.db2.gz ILUJGWISXWNOHM-UHFFFAOYSA-N 2 0 263.389 1.388 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)C1CC[NH+](C)CC1 ZINC000079426693 356996719 /nfs/dbraw/zinc/99/67/19/356996719.db2.gz FOOLRDCYPMUREG-ZDUSSCGKSA-N 2 0 255.406 1.301 40 0 CDABRP C[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000072222676 359055716 /nfs/dbraw/zinc/05/57/16/359055716.db2.gz VZRGJACPOIMPOH-UHFFFAOYSA-N 2 0 262.401 1.640 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407786 177480783 /nfs/dbraw/zinc/48/07/83/177480783.db2.gz FSLYSVPDBWEKLE-ILXRZTDVSA-N 2 0 281.444 1.834 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404616 356990469 /nfs/dbraw/zinc/99/04/69/356990469.db2.gz ZHIKMZFDHZAZOP-CVEARBPZSA-N 2 0 289.423 1.751 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404422 356990685 /nfs/dbraw/zinc/99/06/85/356990685.db2.gz ACSZSSLFXHXYAJ-HOCLYGCPSA-N 2 0 289.423 1.847 40 0 CDABRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404457 356990747 /nfs/dbraw/zinc/99/07/47/356990747.db2.gz UMNSMOBBLNWFMH-HOCLYGCPSA-N 2 0 289.423 1.704 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404619 356991035 /nfs/dbraw/zinc/99/10/35/356991035.db2.gz ZHIKMZFDHZAZOP-HOTGVXAUSA-N 2 0 289.423 1.751 40 0 CDABRP CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404445 356991487 /nfs/dbraw/zinc/99/14/87/356991487.db2.gz BNANVLOATIXYEH-GOEBONIOSA-N 2 0 289.423 1.847 40 0 CDABRP [NH3+]CCN1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414705 356993698 /nfs/dbraw/zinc/99/36/98/356993698.db2.gz AMWDPMTZSPEQQU-MRXNPFEDSA-N 2 0 259.397 1.684 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000079419588 356995577 /nfs/dbraw/zinc/99/55/77/356995577.db2.gz AZIOBCCNGZCONM-ZDUSSCGKSA-N 2 0 255.406 1.301 40 0 CDABRP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096244960 358724812 /nfs/dbraw/zinc/72/48/12/358724812.db2.gz OXCHXDUTNLUEKY-JSGCOSHPSA-N 2 0 293.436 1.200 40 0 CDABRP CCn1cc(C[N@H+](C)CC2CC[NH2+]CC2)c(C)n1 ZINC000096523717 390537571 /nfs/dbraw/zinc/53/75/71/390537571.db2.gz JIRQHKHOSMSMND-UHFFFAOYSA-N 2 0 250.390 1.643 40 0 CDABRP [NH3+]CC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404322 356990697 /nfs/dbraw/zinc/99/06/97/356990697.db2.gz BLLNROWNDWTVEO-UHFFFAOYSA-N 2 0 287.407 1.601 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415284 356995056 /nfs/dbraw/zinc/99/50/56/356995056.db2.gz YBYCDZHSBRPVFW-MRXNPFEDSA-N 2 0 289.423 1.706 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415265 356995529 /nfs/dbraw/zinc/99/55/29/356995529.db2.gz ATQPZMKWHFWLKT-HNNXBMFYSA-N 2 0 275.396 1.458 40 0 CDABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH2+]CC2 ZINC000096220505 358722936 /nfs/dbraw/zinc/72/29/36/358722936.db2.gz UOWRBZQEVDGVEY-HNNXBMFYSA-N 2 0 275.396 1.672 40 0 CDABRP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809033 256875935 /nfs/dbraw/zinc/87/59/35/256875935.db2.gz CQHCNKFJLPHUHS-ZIAGYGMSSA-N 2 0 261.369 1.158 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419658 390420962 /nfs/dbraw/zinc/42/09/62/390420962.db2.gz DESYOLJQOWRHMA-OCCSQVGLSA-N 2 0 267.417 1.303 40 0 CDABRP Cc1nn(C)cc1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000096523709 390537716 /nfs/dbraw/zinc/53/77/16/390537716.db2.gz FKOAWUQHOFZTPF-UHFFFAOYSA-N 2 0 250.390 1.550 40 0 CDABRP C[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216507 390620619 /nfs/dbraw/zinc/62/06/19/390620619.db2.gz QWCOKQBOPGXDAF-AWEZNQCLSA-N 2 0 260.385 1.600 40 0 CDABRP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000238115002 390905436 /nfs/dbraw/zinc/90/54/36/390905436.db2.gz DDCGIEVFVIIPIJ-GFCCVEGCSA-N 2 0 253.390 1.025 40 0 CDABRP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1[nH+]ccn1C ZINC000096081923 185090886 /nfs/dbraw/zinc/09/08/86/185090886.db2.gz DMUYXOFAMKQXTI-BYNSBNAKSA-N 2 0 292.427 1.561 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415277 356994755 /nfs/dbraw/zinc/99/47/55/356994755.db2.gz YBYCDZHSBRPVFW-INIZCTEOSA-N 2 0 289.423 1.706 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424354 356996277 /nfs/dbraw/zinc/99/62/77/356996277.db2.gz QMJDPZMDTXDMJT-MRXNPFEDSA-N 2 0 289.423 1.847 40 0 CDABRP NC(=[NH2+])c1ccc(Nc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000001673453 283262217 /nfs/dbraw/zinc/26/22/17/283262217.db2.gz OOSANNOCGQRXSP-UHFFFAOYSA-N 2 0 253.309 1.998 40 0 CDABRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+](C)C2)C1 ZINC000260559687 366412603 /nfs/dbraw/zinc/41/26/03/366412603.db2.gz SFSMMQCVGZEYTF-XHSDSOJGSA-N 2 0 295.471 1.812 40 0 CDABRP [NH2+]=C1NC(=[NH2+])N(c2ccc(O)cc2)C2(CCCCC2)N1 ZINC000000269193 303360030 /nfs/dbraw/zinc/36/00/30/303360030.db2.gz PVXSMHGBXBWSFK-UHFFFAOYSA-N 2 0 273.340 1.502 40 0 CDABRP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@@]2(C[NH2+]CCOC2)O1 ZINC000248007219 362143862 /nfs/dbraw/zinc/14/38/62/362143862.db2.gz ATCPTTQXVGVUEM-HOTGVXAUSA-N 2 0 291.395 1.051 40 0 CDABRP C[N@@H+]1CC[C@@H]2O[C@H](COCC3CC[NH+](C)CC3)CC[C@@H]21 ZINC000096186109 358714375 /nfs/dbraw/zinc/71/43/75/358714375.db2.gz FJOVNAVYMZEDGW-JYJNAYRXSA-N 2 0 282.428 1.597 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415706 390421619 /nfs/dbraw/zinc/42/16/19/390421619.db2.gz QIADQKRZMNJGAG-CVEARBPZSA-N 2 0 289.423 1.703 40 0 CDABRP Cc1cc(N2CC[NH2+]CC2)ncc1[C@@H]([NH3+])c1ccccc1 ZINC000072223586 390624233 /nfs/dbraw/zinc/62/42/33/390624233.db2.gz KSVWHRNYMDXNNQ-KRWDZBQOSA-N 2 0 282.391 1.848 40 0 CDABRP [NH3+][C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000237967203 131069506 /nfs/dbraw/zinc/06/95/06/131069506.db2.gz LIONXARLQBUDBF-WDVRLDOZSA-N 2 0 287.407 1.723 40 0 CDABRP C[C@@H]1CC(C)(C)[NH2+]CCCN[C@@H](C)CC(C)(C)[NH2+]CCN1 ZINC000068605135 287220261 /nfs/dbraw/zinc/22/02/61/287220261.db2.gz AXJSSPFRZNDANC-LSDHHAIUSA-N 2 0 298.519 1.863 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000079407672 280271809 /nfs/dbraw/zinc/27/18/09/280271809.db2.gz QZAGKHDAUDASEO-STQMWFEESA-N 2 0 255.406 1.301 40 0 CDABRP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000157566670 188325362 /nfs/dbraw/zinc/32/53/62/188325362.db2.gz CGPJNKRPAIQEAO-AWEZNQCLSA-N 2 0 299.484 1.544 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1CC[NH3+] ZINC000079414570 356993606 /nfs/dbraw/zinc/99/36/06/356993606.db2.gz ZAIYHAMRTFKZIM-MRXNPFEDSA-N 2 0 261.413 1.932 40 0 CDABRP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079428764 356996351 /nfs/dbraw/zinc/99/63/51/356996351.db2.gz SJQREJMGAVCABO-MRXNPFEDSA-N 2 0 289.423 1.704 40 0 CDABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH2+]CC2 ZINC000096220507 358723222 /nfs/dbraw/zinc/72/32/22/358723222.db2.gz UOWRBZQEVDGVEY-OAHLLOKOSA-N 2 0 275.396 1.672 40 0 CDABRP CC(C)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096260818 358729463 /nfs/dbraw/zinc/72/94/63/358729463.db2.gz FKEUGMLSKYTUCJ-UHFFFAOYSA-N 2 0 295.471 1.907 40 0 CDABRP [NH3+]CC(=O)N1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393809 390421204 /nfs/dbraw/zinc/42/12/04/390421204.db2.gz NACRROLINSVOBU-HNNXBMFYSA-N 2 0 273.380 1.211 40 0 CDABRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000236727286 391271667 /nfs/dbraw/zinc/27/16/67/391271667.db2.gz MQISTURNOQKZSR-GJZGRUSLSA-N 2 0 275.396 1.536 40 0 CDABRP Cc1ncc(C[N@H+]2CCC3(CC([NH+](C)C)C3)C2)cn1 ZINC000108527075 186221029 /nfs/dbraw/zinc/22/10/29/186221029.db2.gz HIYTUINIRGIVCB-UHFFFAOYSA-N 2 0 260.385 1.701 40 0 CDABRP COCC[N@@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000155465094 351378166 /nfs/dbraw/zinc/37/81/66/351378166.db2.gz POLKLJVGISNMDE-CQSZACIVSA-N 2 0 298.427 1.230 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404646 356991433 /nfs/dbraw/zinc/99/14/33/356991433.db2.gz WBPPPFVISLBPTQ-HOTGVXAUSA-N 2 0 289.423 1.703 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000079415349 356995410 /nfs/dbraw/zinc/99/54/10/356995410.db2.gz HHYJJFBHESCDTQ-ZFWWWQNUSA-N 2 0 275.396 1.457 40 0 CDABRP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096047927 358706337 /nfs/dbraw/zinc/70/63/37/358706337.db2.gz LBODDXRRGVTJTA-HNNXBMFYSA-N 2 0 275.396 1.767 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419687 390422622 /nfs/dbraw/zinc/42/26/22/390422622.db2.gz KADWGGGIEDKWBM-MJBXVCDLSA-N 2 0 267.417 1.491 40 0 CDABRP C[NH+]1CCC(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000257318083 362585582 /nfs/dbraw/zinc/58/55/82/362585582.db2.gz VMLFTHBYLOWNTJ-MRXNPFEDSA-N 2 0 287.407 1.501 40 0 CDABRP C[NH+]1CCN(CCC[NH+]2C[C@H]3CC=CC[C@@H]3C2)CC1 ZINC000019366874 356482733 /nfs/dbraw/zinc/48/27/33/356482733.db2.gz FNUJFJIIMIYYBY-HZPDHXFCSA-N 2 0 263.429 1.522 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)C1CCC([NH+](C)C)CC1 ZINC000079407525 356991253 /nfs/dbraw/zinc/99/12/53/356991253.db2.gz JSFZYVRNEPPVHN-BPCQOVAHSA-N 2 0 255.406 1.301 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407538 356991451 /nfs/dbraw/zinc/99/14/51/356991451.db2.gz FHSSIEWIEGGRHJ-AVGNSLFASA-N 2 0 255.406 1.301 40 0 CDABRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000225467878 374468410 /nfs/dbraw/zinc/46/84/10/374468410.db2.gz WQNWUCRAKYLYLQ-UONOGXRCSA-N 2 0 296.459 1.595 40 0 CDABRP Cc1ccc2c(c1)C1(C[C@@H]2[N@H+](C)CCO)CC[NH2+]CC1 ZINC000096157370 390913329 /nfs/dbraw/zinc/91/33/29/390913329.db2.gz NAAIKJRIYDWFHB-INIZCTEOSA-N 2 0 274.408 1.985 40 0 CDABRP Cc1ccc2c(c1)C1(C[C@H]2[N@H+](C)CCO)CC[NH2+]CC1 ZINC000096157371 260563965 /nfs/dbraw/zinc/56/39/65/260563965.db2.gz NAAIKJRIYDWFHB-MRXNPFEDSA-N 2 0 274.408 1.985 40 0 CDABRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+](C)C)OC[C@H]3C2)o1 ZINC000096056202 185077813 /nfs/dbraw/zinc/07/78/13/185077813.db2.gz XFNHQIQBYLBFQW-BMFZPTHFSA-N 2 0 278.396 1.987 40 0 CDABRP C[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100354 185098267 /nfs/dbraw/zinc/09/82/67/185098267.db2.gz QQJRHVVBGOVFOK-MCIONIFRSA-N 2 0 250.342 1.431 40 0 CDABRP O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000253494411 342429872 /nfs/dbraw/zinc/42/98/72/342429872.db2.gz XKRNTOCNSGQSIM-HUUCEWRRSA-N 2 0 280.412 1.794 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407355 356991159 /nfs/dbraw/zinc/99/11/59/356991159.db2.gz NQRYKVZMTLREBU-YNEHKIRRSA-N 2 0 255.406 1.443 40 0 CDABRP C[C@@H]1CC(C)(C)[NH2+]CCN[C@@H](C)CC(C)(C)[NH2+]CCCN1 ZINC000068605138 357651925 /nfs/dbraw/zinc/65/19/25/357651925.db2.gz AXJSSPFRZNDANC-CABCVRRESA-N 3 0 298.519 1.863 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415702 390421811 /nfs/dbraw/zinc/42/18/11/390421811.db2.gz QIADQKRZMNJGAG-HOTGVXAUSA-N 2 0 289.423 1.703 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404493 356990892 /nfs/dbraw/zinc/99/08/92/356990892.db2.gz ABGIJTAAKWILPS-HOCLYGCPSA-N 2 0 289.423 1.845 40 0 CDABRP CCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407626 356991217 /nfs/dbraw/zinc/99/12/17/356991217.db2.gz CJRDMNKKDMPNQO-ZDUSSCGKSA-N 2 0 255.406 1.160 40 0 CDABRP Cc1cccc(C[N@H+]2CCc3ncc(C[NH+](C)C)n3CC2)n1 ZINC000096196787 358716399 /nfs/dbraw/zinc/71/63/99/358716399.db2.gz VJSGTKDNVXGSLH-UHFFFAOYSA-N 2 0 299.422 1.706 40 0 CDABRP c1cn2c(n1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124246 374967127 /nfs/dbraw/zinc/96/71/27/374967127.db2.gz BKLCJVNESLNMKC-UONOGXRCSA-N 2 0 254.337 1.582 40 0 CDABRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306123041 392105116 /nfs/dbraw/zinc/10/51/16/392105116.db2.gz ADDWRTXHPGGWGV-CQSZACIVSA-N 2 0 261.369 1.425 40 0 CDABRP O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000005382572 170092458 /nfs/dbraw/zinc/09/24/58/170092458.db2.gz XKRNTOCNSGQSIM-GJZGRUSLSA-N 2 0 280.412 1.794 40 0 CDABRP CC(C)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404243 356989116 /nfs/dbraw/zinc/98/91/16/356989116.db2.gz DTFUMUUQHRXSHW-MRXNPFEDSA-N 2 0 289.423 1.847 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415429 356995693 /nfs/dbraw/zinc/99/56/93/356995693.db2.gz BDCXFJSOHIWZJA-DZGCQCFKSA-N 2 0 275.396 1.457 40 0 CDABRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1 ZINC000078489906 177346919 /nfs/dbraw/zinc/34/69/19/177346919.db2.gz UVGIJVUWMVUHNJ-UHFFFAOYSA-N 2 0 296.390 1.783 40 0 CDABRP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096047911 185073366 /nfs/dbraw/zinc/07/33/66/185073366.db2.gz XJQITKDXYMENBJ-AWEZNQCLSA-N 2 0 264.369 1.965 40 0 CDABRP COCC[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096100553 185097692 /nfs/dbraw/zinc/09/76/92/185097692.db2.gz PGFMOSGLPNPCBI-UHFFFAOYSA-N 2 0 292.427 1.374 40 0 CDABRP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC ZINC000035133626 356829753 /nfs/dbraw/zinc/82/97/53/356829753.db2.gz RKHDUKJSSNGETH-CHWSQXEVSA-N 2 0 258.406 1.896 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407548 356991547 /nfs/dbraw/zinc/99/15/47/356991547.db2.gz FHSSIEWIEGGRHJ-AGIUHOORSA-N 2 0 255.406 1.301 40 0 CDABRP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079428767 356996419 /nfs/dbraw/zinc/99/64/19/356996419.db2.gz SJQREJMGAVCABO-INIZCTEOSA-N 2 0 289.423 1.704 40 0 CDABRP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809030 357009808 /nfs/dbraw/zinc/00/98/08/357009808.db2.gz CQHCNKFJLPHUHS-KGLIPLIRSA-N 2 0 261.369 1.158 40 0 CDABRP C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000252321 169587636 /nfs/dbraw/zinc/58/76/36/169587636.db2.gz HAYXTSLJZRCOQD-LBPRGKRZSA-N 2 0 261.369 1.114 40 0 CDABRP C[NH+]1CCN(c2ccc([C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000072216536 390621296 /nfs/dbraw/zinc/62/12/96/390621296.db2.gz XRVZVLATRZIVIU-HNNXBMFYSA-N 2 0 274.412 1.990 40 0 CDABRP C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC000096160643 390947568 /nfs/dbraw/zinc/94/75/68/390947568.db2.gz ATCPTTQXVGVUEM-HZPDHXFCSA-N 2 0 291.395 1.051 40 0 CDABRP CC(=O)OC1[C@H](C[NH+](C)C)CCC[C@H]1C[NH+](C)C ZINC000001717980 278218101 /nfs/dbraw/zinc/21/81/01/278218101.db2.gz ORMYPAKOOYODQY-STQMWFEESA-N 2 0 256.390 1.458 40 0 CDABRP C[C@H]1CC(C)(C)[NH2+]CCNC(C)(C)C[C@H](C)[NH2+]CCN1 ZINC000095101059 290340661 /nfs/dbraw/zinc/34/06/61/290340661.db2.gz OXCGREHPAHBDLU-KBPBESRZSA-N 2 0 284.492 1.473 40 0 CDABRP CN(C(=O)Cn1ccnc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257325745 362587060 /nfs/dbraw/zinc/58/70/60/362587060.db2.gz WUFNXAJBELRPKY-CQSZACIVSA-N 2 0 299.378 1.406 40 0 CDABRP Nc1c[nH+]ccc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000001699156 355947943 /nfs/dbraw/zinc/94/79/43/355947943.db2.gz KJFPPRFVILOCAX-UHFFFAOYSA-N 2 0 297.406 1.898 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037028195 367279022 /nfs/dbraw/zinc/27/90/22/367279022.db2.gz XKZKAPZLJSQVNX-GJZGRUSLSA-N 2 0 275.396 1.360 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+](C)C2CC2)C1 ZINC000079419644 390421393 /nfs/dbraw/zinc/42/13/93/390421393.db2.gz DIMKJEAXXAXJIF-STQMWFEESA-N 2 0 253.390 1.055 40 0 CDABRP CC(=O)c1ccc[n+](CC[n+]2cccc(C(C)=O)c2)c1 ZINC000004744270 275506020 /nfs/dbraw/zinc/50/60/20/275506020.db2.gz XFTNZVHIKDJBBR-UHFFFAOYSA-N 2 0 270.332 1.367 40 0 CDABRP [NH3+]CC(=O)N1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391047 356987928 /nfs/dbraw/zinc/98/79/28/356987928.db2.gz JBCDRSFUECHREK-UHFFFAOYSA-N 2 0 287.407 1.601 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415303 356995088 /nfs/dbraw/zinc/99/50/88/356995088.db2.gz RNAALBWXNHNBFM-OAHLLOKOSA-N 2 0 275.396 1.457 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@H+](C)C1CC1 ZINC000079419657 356995517 /nfs/dbraw/zinc/99/55/17/356995517.db2.gz TUDSHIUJGSBKAG-KBPBESRZSA-N 2 0 267.417 1.445 40 0 CDABRP c1cn2c(n1)C[C@@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306124245 374968346 /nfs/dbraw/zinc/96/83/46/374968346.db2.gz BKLCJVNESLNMKC-KGLIPLIRSA-N 2 0 254.337 1.582 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000079407745 390421730 /nfs/dbraw/zinc/42/17/30/390421730.db2.gz SHLMLSQCQHMCCX-KGLIPLIRSA-N 2 0 267.417 1.445 40 0 CDABRP [NH3+]C/C=C/COc1cc(C[NH+]2CCCCC2)ccn1 ZINC000021991875 356594195 /nfs/dbraw/zinc/59/41/95/356594195.db2.gz LSWHRGCYVNXXLD-GORDUTHDSA-N 2 0 261.369 1.961 40 0 CDABRP [NH3+]CC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391046 356988012 /nfs/dbraw/zinc/98/80/12/356988012.db2.gz SXQUPPKJTQSBEQ-INIZCTEOSA-N 2 0 287.407 1.601 40 0 CDABRP CN(CC[NH3+])C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393563 356990014 /nfs/dbraw/zinc/99/00/14/356990014.db2.gz GYAOKASOWLQRPJ-INIZCTEOSA-N 2 0 261.413 1.932 40 0 CDABRP CN(C)C(=O)C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC000096242438 358724827 /nfs/dbraw/zinc/72/48/27/358724827.db2.gz XAEFYGBDQUPMLZ-UHFFFAOYSA-N 2 0 287.407 1.212 40 0 CDABRP CSc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718322 256720643 /nfs/dbraw/zinc/72/06/43/256720643.db2.gz IATFKGVRRFYDFW-UHFFFAOYSA-N 2 0 252.387 1.288 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407718 390421381 /nfs/dbraw/zinc/42/13/81/390421381.db2.gz PRJMJGMJLBWXKD-OLZOCXBDSA-N 2 0 253.390 1.055 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1 ZINC000079415408 278224123 /nfs/dbraw/zinc/22/41/23/278224123.db2.gz CUEGXVIPFGXYJP-IMJJTQAJSA-N 2 0 289.423 1.893 40 0 CDABRP CN[C@@H](CC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000019366566 356482805 /nfs/dbraw/zinc/48/28/05/356482805.db2.gz RUXWKZUHMGQHFE-HNNXBMFYSA-N 2 0 253.434 1.936 40 0 CDABRP C[NH+]1CCN(CCC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000023477136 356643642 /nfs/dbraw/zinc/64/36/42/356643642.db2.gz FNUJFJIIMIYYBY-IYBDPMFKSA-N 2 0 263.429 1.522 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079415445 356994686 /nfs/dbraw/zinc/99/46/86/356994686.db2.gz DYPWIISJAITNTC-GOEBONIOSA-N 2 0 289.423 1.847 40 0 CDABRP [NH3+]C[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1 ZINC000257333149 190035853 /nfs/dbraw/zinc/03/58/53/190035853.db2.gz YAIZNRFPKAGNKO-UKMLZYKCSA-N 2 0 276.380 1.238 40 0 CDABRP CCCC[NH2+]CCOCCOCC[NH2+]CCCC ZINC000005419900 170097184 /nfs/dbraw/zinc/09/71/84/170097184.db2.gz ORCLTZJBDLAROB-UHFFFAOYSA-N 2 0 260.422 1.799 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404409 356991396 /nfs/dbraw/zinc/99/13/96/356991396.db2.gz UNAUYYTYCINVCX-DZGCQCFKSA-N 2 0 275.396 1.314 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415307 356995282 /nfs/dbraw/zinc/99/52/82/356995282.db2.gz RNAALBWXNHNBFM-HNNXBMFYSA-N 2 0 275.396 1.457 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177557 358642486 /nfs/dbraw/zinc/64/24/86/358642486.db2.gz AJXJXDRRDOUBQC-RWMBFGLXSA-N 2 0 255.406 1.443 40 0 CDABRP O=C(Cc1ccccc1)N1CCN(CCn2ccnc2)CC1 ZINC000075158013 367944665 /nfs/dbraw/zinc/94/46/65/367944665.db2.gz GNXGYXNDPQLIAA-UHFFFAOYSA-N 2 0 298.390 1.270 40 0 CDABRP Cc1cc([C@H](C)[NH3+])cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222670 390623934 /nfs/dbraw/zinc/62/39/34/390623934.db2.gz OPNNINJSSPLLAN-ZDUSSCGKSA-N 2 0 262.401 1.940 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+] ZINC000079414567 279239441 /nfs/dbraw/zinc/23/94/41/279239441.db2.gz ZAIYHAMRTFKZIM-INIZCTEOSA-N 2 0 261.413 1.932 40 0 CDABRP C[C@]1(CN2CCc3c(cccc3C(N)=O)C2)CCC[NH2+]C1 ZINC000904378749 626275657 /nfs/dbraw/zinc/27/56/57/626275657.db2.gz KAGSLLNOMCXOJT-KRWDZBQOSA-N 2 0 287.407 1.533 40 0 CDABRP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404157 356989273 /nfs/dbraw/zinc/98/92/73/356989273.db2.gz KBZJWKHZJFYMLV-HNNXBMFYSA-N 2 0 275.396 1.458 40 0 CDABRP C[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000079404391 356991048 /nfs/dbraw/zinc/99/10/48/356991048.db2.gz HPPNPJWXXDDVMH-ZDUSSCGKSA-N 2 0 275.396 1.362 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000079407743 356991151 /nfs/dbraw/zinc/99/11/51/356991151.db2.gz SHLMLSQCQHMCCX-KBPBESRZSA-N 2 0 267.417 1.445 40 0 CDABRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000072817080 357852197 /nfs/dbraw/zinc/85/21/97/357852197.db2.gz KFVKJMMNTZHZGZ-OAHLLOKOSA-N 2 0 281.444 1.566 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242463814 364518953 /nfs/dbraw/zinc/51/89/53/364518953.db2.gz DMSWSUAKELNOBM-WKILWMFISA-N 2 0 289.423 1.895 40 0 CDABRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306130472 374967306 /nfs/dbraw/zinc/96/73/06/374967306.db2.gz JHKGJFIQZQPKEW-LBPRGKRZSA-N 2 0 250.342 1.623 40 0 CDABRP CC(C)N(C(=O)C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404235 390421537 /nfs/dbraw/zinc/42/15/37/390421537.db2.gz NMKRVFOOXZLMGU-HNNXBMFYSA-N 2 0 275.396 1.457 40 0 CDABRP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000004721590 276105296 /nfs/dbraw/zinc/10/52/96/276105296.db2.gz UHQFQSLVYHDGKB-QLFBSQMISA-N 2 0 254.418 1.811 40 0 CDABRP CC(C)n1cc(C[N@@H+]2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)cn1 ZINC000247980275 362142385 /nfs/dbraw/zinc/14/23/85/362142385.db2.gz JGXUTZOEJNXYJA-BZUAXINKSA-N 2 0 292.427 1.472 40 0 CDABRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406643 374300055 /nfs/dbraw/zinc/30/00/55/374300055.db2.gz WMZPXJDZGQYJMN-USXIJHARSA-N 2 0 276.424 1.910 40 0 CDABRP COc1ccc(C[C@H](O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000001684129 169741654 /nfs/dbraw/zinc/74/16/54/169741654.db2.gz PEAGLTLSPBGSPJ-INIZCTEOSA-N 2 0 292.423 1.659 40 0 CDABRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000096054295 185075490 /nfs/dbraw/zinc/07/54/90/185075490.db2.gz MMBYQDWSLKKMPI-CABCVRRESA-N 2 0 295.452 1.195 40 0 CDABRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414527 356993890 /nfs/dbraw/zinc/99/38/90/356993890.db2.gz LUWJHNCGBWFZBX-INIZCTEOSA-N 2 0 261.413 1.789 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000079426703 390422659 /nfs/dbraw/zinc/42/26/59/390422659.db2.gz NRMHZDIZWLNLDG-KGLIPLIRSA-N 2 0 269.433 1.691 40 0 CDABRP C[NH+]1CCN(c2ncccc2[C@H]2CCCC[NH2+]2)CC1 ZINC000072216595 390621984 /nfs/dbraw/zinc/62/19/84/390621984.db2.gz ZFNFZKBQZGLDCL-CQSZACIVSA-N 2 0 260.385 1.648 40 0 CDABRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000247115422 131101620 /nfs/dbraw/zinc/10/16/20/131101620.db2.gz ZRMZHXKNEGKTNI-FPCVCCKLSA-N 2 0 287.407 1.723 40 0 CDABRP C[C@@H]1CC(C)(C)[NH2+]CCN[C@H](C)CC(C)(C)[NH2+]CCCN1 ZINC000068605129 287220228 /nfs/dbraw/zinc/22/02/28/287220228.db2.gz AXJSSPFRZNDANC-HUUCEWRRSA-N 2 0 298.519 1.863 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242688581 261268177 /nfs/dbraw/zinc/26/81/77/261268177.db2.gz VTNGBOCVETVMKR-IHRRRGAJSA-N 2 0 269.433 1.691 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)C1CC1 ZINC000079419682 280275083 /nfs/dbraw/zinc/27/50/83/280275083.db2.gz KADWGGGIEDKWBM-MCIONIFRSA-N 2 0 267.417 1.491 40 0 CDABRP OC[C@@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484363 230380999 /nfs/dbraw/zinc/38/09/99/230380999.db2.gz CTUMWRFFXBTOBG-IXDOHACOSA-N 2 0 274.408 1.979 40 0 CDABRP C[NH+](C)CC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cncn21 ZINC000248102726 362149885 /nfs/dbraw/zinc/14/98/85/362149885.db2.gz IAPFVFBXEYDYTM-OAHLLOKOSA-N 2 0 292.427 1.618 40 0 CDABRP CCN(C(=O)C[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404204 356989398 /nfs/dbraw/zinc/98/93/98/356989398.db2.gz CBZPZNLXYFLTGC-HNNXBMFYSA-N 2 0 275.396 1.458 40 0 CDABRP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469548 392469045 /nfs/dbraw/zinc/46/90/45/392469045.db2.gz GIBPUQUGBBLMRZ-WXRRBKDZSA-N 2 0 265.401 1.118 40 0 CDABRP Cn1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000227220875 140183242 /nfs/dbraw/zinc/18/32/42/140183242.db2.gz WQOWSBRSMYISFG-LSDHHAIUSA-N 2 0 256.353 1.697 40 0 CDABRP C[NH+]1CCN(CCC[NH+]2C[C@@H]3CC=CC[C@H]3C2)CC1 ZINC000019366876 356483259 /nfs/dbraw/zinc/48/32/59/356483259.db2.gz FNUJFJIIMIYYBY-HOTGVXAUSA-N 2 0 263.429 1.522 40 0 CDABRP CC(C)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404240 356989978 /nfs/dbraw/zinc/98/99/78/356989978.db2.gz DTFUMUUQHRXSHW-INIZCTEOSA-N 2 0 289.423 1.847 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)C(C)C ZINC000079419619 356995646 /nfs/dbraw/zinc/99/56/46/356995646.db2.gz SKLYRXLGFFAHCD-MJBXVCDLSA-N 2 0 269.433 1.737 40 0 CDABRP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096244959 358724600 /nfs/dbraw/zinc/72/46/00/358724600.db2.gz LEOFWPRQAKOLRG-KBPBESRZSA-N 2 0 293.436 1.200 40 0 CDABRP C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249549 256834751 /nfs/dbraw/zinc/83/47/51/256834751.db2.gz ZGJYXGMBOWVRCW-GDBMZVCRSA-N 2 0 278.371 1.978 40 0 CDABRP CC(C)(CO)[NH2+]C[C@@H]1CCC[C@H](C[NH2+]C(C)(C)CO)C1 ZINC000001609957 355942264 /nfs/dbraw/zinc/94/22/64/355942264.db2.gz NBPJBJTZBUACAH-OKILXGFUSA-N 2 0 286.460 1.514 40 0 CDABRP CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404220 356988986 /nfs/dbraw/zinc/98/89/86/356988986.db2.gz FGPBFSWYEDBUFL-MRXNPFEDSA-N 2 0 289.423 1.848 40 0 CDABRP [NH3+]CC(=O)N(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404283 356989948 /nfs/dbraw/zinc/98/99/48/356989948.db2.gz DTSKFXCOMNUXNM-HNNXBMFYSA-N 2 0 273.380 1.211 40 0 CDABRP Cc1cc(N2CC[NH2+]CC2)nc(NC2CCCCC2)[nH+]1 ZINC000217507782 375660795 /nfs/dbraw/zinc/66/07/95/375660795.db2.gz CWPVCUGKAXITCX-UHFFFAOYSA-N 2 0 275.400 1.939 40 0 CDABRP Cc1nc(N2CC[NH2+]CC2)cc(N2CCCCC2)[nH+]1 ZINC000217508224 375661273 /nfs/dbraw/zinc/66/12/73/375661273.db2.gz QYMBBUGQRZLDOW-UHFFFAOYSA-N 2 0 261.373 1.185 40 0 CDABRP C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]21 ZINC000096056207 185077600 /nfs/dbraw/zinc/07/76/00/185077600.db2.gz FXOMYHYNGLOLOG-OAGGEKHMSA-N 2 0 275.396 1.480 40 0 CDABRP CC[N@H+](Cc1ccccc1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079415289 356994582 /nfs/dbraw/zinc/99/45/82/356994582.db2.gz DMSWSUAKELNOBM-UHFFFAOYSA-N 2 0 289.423 1.895 40 0 CDABRP C[C@H]1CC(C)(C)[NH2+]CCN[C@@H](C)CC(C)(C)[NH2+]CCCN1 ZINC000068605143 357651603 /nfs/dbraw/zinc/65/16/03/357651603.db2.gz AXJSSPFRZNDANC-GJZGRUSLSA-N 3 0 298.519 1.863 40 0 CDABRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000236784636 366411174 /nfs/dbraw/zinc/41/11/74/366411174.db2.gz HNITUVLJZPVICJ-ZIAGYGMSSA-N 2 0 267.417 1.304 40 0 CDABRP CC(C)N(C(=O)C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404254 390421471 /nfs/dbraw/zinc/42/14/71/390421471.db2.gz MSXANNZUDCQRGW-MRXNPFEDSA-N 2 0 289.423 1.847 40 0 CDABRP CC[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216334 390621256 /nfs/dbraw/zinc/62/12/56/390621256.db2.gz JRNKERXKHOBHML-AWEZNQCLSA-N 2 0 260.385 1.648 40 0 CDABRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000078552967 177353273 /nfs/dbraw/zinc/35/32/73/177353273.db2.gz AEZOOSCMBWBHLX-UHFFFAOYSA-N 2 0 291.439 1.755 40 0 CDABRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000078552961 177353466 /nfs/dbraw/zinc/35/34/66/177353466.db2.gz HDRLVQYGZKXDNL-UHFFFAOYSA-N 2 0 276.428 1.445 40 0 CDABRP CC[NH+](CC)Cc1cnc2n1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096067882 279138972 /nfs/dbraw/zinc/13/89/72/279138972.db2.gz YDETXXVEMPSNBD-CQSZACIVSA-N 2 0 292.427 1.372 40 0 CDABRP c1c(CN2CCOCC23CC3)sc2c1C[NH2+]CC2 ZINC000873207883 757885393 /nfs/dbraw/zinc/88/53/93/757885393.db2.gz GWSWLIKIPOLQIG-UHFFFAOYSA-N 2 0 264.394 1.759 40 0 CDABRP CN(C(=O)c1ccccc1C[NH3+])C1CC[NH+](C)CC1 ZINC000082699155 178200871 /nfs/dbraw/zinc/20/08/71/178200871.db2.gz HFLXVCRRZZFZSN-UHFFFAOYSA-N 2 0 261.369 1.312 40 0 CDABRP Cn1cc(C[NH+]2CCC3(C[C@H]([NH+](C)C)CO3)CC2)cn1 ZINC000096047914 185073099 /nfs/dbraw/zinc/07/30/99/185073099.db2.gz DICRTBJQAZASMW-AWEZNQCLSA-N 2 0 278.400 1.105 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404416 356990654 /nfs/dbraw/zinc/99/06/54/356990654.db2.gz CDRBADUMCKUHRH-ZFWWWQNUSA-N 2 0 275.396 1.457 40 0 CDABRP C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242575091 364572853 /nfs/dbraw/zinc/57/28/53/364572853.db2.gz NRVJIGPEPQOZII-SHTZXODSSA-N 2 0 275.396 1.505 40 0 CDABRP CCN(C[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407608 285022318 /nfs/dbraw/zinc/02/23/18/285022318.db2.gz MTTBAEJTBROXAW-STQMWFEESA-N 2 0 255.406 1.303 40 0 CDABRP CCCC[NH+](CCCC)C[C@H](O)CN1CCC[NH2+]CC1 ZINC000064875818 390474777 /nfs/dbraw/zinc/47/47/77/390474777.db2.gz NEPUOKIEOSGBMX-INIZCTEOSA-N 2 0 285.476 1.545 40 0 CDABRP CC[C@@](C)([NH3+])c1c2c(c(OC)c3c1CC[N@H+](C)C3)OCO2 ZINC000242581663 391942736 /nfs/dbraw/zinc/94/27/36/391942736.db2.gz OAYXUIBAVSJKHP-MRXNPFEDSA-N 2 0 292.379 1.996 40 0 CDABRP CC[C@](C)([NH3+])c1c2c(c(OC)c3c1CC[N@H+](C)C3)OCO2 ZINC000242581661 391942929 /nfs/dbraw/zinc/94/29/29/391942929.db2.gz OAYXUIBAVSJKHP-INIZCTEOSA-N 2 0 292.379 1.996 40 0 CDABRP O=S(CC[NH+]1CCCCC1)CC[NH+]1CCCCC1 ZINC000005375615 170090467 /nfs/dbraw/zinc/09/04/67/170090467.db2.gz QNOWUBKZSXCUBD-UHFFFAOYSA-N 2 0 272.458 1.707 40 0 CDABRP [NH3+]CC1(O)CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000691688389 922685902 /nfs/dbraw/zinc/68/59/02/922685902.db2.gz YKKUORRJMZPBDV-RUXDESIVSA-N 2 0 252.402 1.598 40 0 CDABRP [NH3+]CCN(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393630 356990098 /nfs/dbraw/zinc/99/00/98/356990098.db2.gz DYTJPGVYXYSZBJ-INIZCTEOSA-N 2 0 259.397 1.684 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404491 356990900 /nfs/dbraw/zinc/99/09/00/356990900.db2.gz ABGIJTAAKWILPS-GOEBONIOSA-N 2 0 289.423 1.845 40 0 CDABRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC000260559684 366411962 /nfs/dbraw/zinc/41/19/62/366411962.db2.gz SFSMMQCVGZEYTF-OAGGEKHMSA-N 2 0 295.471 1.812 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000079407715 390421519 /nfs/dbraw/zinc/42/15/19/390421519.db2.gz PRJMJGMJLBWXKD-STQMWFEESA-N 2 0 253.390 1.055 40 0 CDABRP CN(CC[NH3+])C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079393566 356989009 /nfs/dbraw/zinc/98/90/09/356989009.db2.gz GYAOKASOWLQRPJ-MRXNPFEDSA-N 2 0 261.413 1.932 40 0 CDABRP CC(=O)N1CCC(C[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000225522926 375138727 /nfs/dbraw/zinc/13/87/27/375138727.db2.gz XRFJQHIHZCMWEP-UHFFFAOYSA-N 2 0 267.417 1.271 40 0 CDABRP Cc1ccc(C[NH+]2CC3(C2)CO[C@@H](C[NH+](C)C)C3)o1 ZINC000096239514 256829758 /nfs/dbraw/zinc/82/97/58/256829758.db2.gz LCUYQSYQUUHIKU-CQSZACIVSA-N 2 0 264.369 1.741 40 0 CDABRP CC[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216513 390620901 /nfs/dbraw/zinc/62/09/01/390620901.db2.gz JWQYCCKOQQFXKZ-OAHLLOKOSA-N 2 0 274.412 1.990 40 0 CDABRP CC[C@@H]([NH3+])c1ccc(N2CC[NH+](CC)CC2)nc1C ZINC000072224681 390625010 /nfs/dbraw/zinc/62/50/10/390625010.db2.gz WHRNHJKEARPDLB-CQSZACIVSA-N 2 0 262.401 1.942 40 0 CDABRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000247115441 131101201 /nfs/dbraw/zinc/10/12/01/131101201.db2.gz ZRMZHXKNEGKTNI-JJXSEGSLSA-N 2 0 287.407 1.723 40 0 CDABRP C[C@@H]1CC(C)(C)[NH2+]CCNC(C)(C)C[C@@H](C)[NH2+]CCN1 ZINC000095101060 287220196 /nfs/dbraw/zinc/22/01/96/287220196.db2.gz OXCGREHPAHBDLU-ZIAGYGMSSA-N 2 0 284.492 1.473 40 0 CDABRP C[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019889859 277103641 /nfs/dbraw/zinc/10/36/41/277103641.db2.gz LNKXBJRJYVFVEV-IXDOHACOSA-N 2 0 289.467 1.910 40 0 CDABRP N[C@H](c1noc(CN2CCCC2)n1)c1ccccc1 ZINC000070453753 361972297 /nfs/dbraw/zinc/97/22/97/361972297.db2.gz AOBRUQWNVCZSPP-ZDUSSCGKSA-N 2 0 258.325 1.714 40 0 CDABRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000034115048 356809573 /nfs/dbraw/zinc/80/95/73/356809573.db2.gz LNKXBJRJYVFVEV-BBWFWOEESA-N 2 0 289.467 1.910 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404601 356990881 /nfs/dbraw/zinc/99/08/81/356990881.db2.gz SACBQTCDVLXJFE-CVEARBPZSA-N 2 0 289.423 1.751 40 0 CDABRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809028 357010170 /nfs/dbraw/zinc/01/01/70/357010170.db2.gz CQHCNKFJLPHUHS-UONOGXRCSA-N 2 0 261.369 1.158 40 0 CDABRP C[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000072816499 357851709 /nfs/dbraw/zinc/85/17/09/357851709.db2.gz ZBQXLQWMVLHRMG-AWEZNQCLSA-N 2 0 267.417 1.320 40 0 CDABRP c1csc(CC[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096531589 390542090 /nfs/dbraw/zinc/54/20/90/390542090.db2.gz ULARAKGPAWEQFN-UHFFFAOYSA-N 2 0 266.410 1.745 40 0 CDABRP C(C[NH+]1CCCC1)O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CC1 ZINC000096057940 185078689 /nfs/dbraw/zinc/07/86/89/185078689.db2.gz HDVURFDKLVDLCZ-GVDBMIGSSA-N 2 0 294.439 1.741 40 0 CDABRP COC[C@@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH2+]CC2 ZINC000585103191 342212709 /nfs/dbraw/zinc/21/27/09/342212709.db2.gz MOHQQVYCSZSNBY-ZDUSSCGKSA-N 2 0 295.452 1.900 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000079419573 356994735 /nfs/dbraw/zinc/99/47/35/356994735.db2.gz ZKNRGUMMEURXAM-STQMWFEESA-N 2 0 255.406 1.301 40 0 CDABRP C[C@]12CCCN(C(=O)C[NH+]3CCCCCC3)[C@@H]1CCC[NH2+]2 ZINC000257217856 190013678 /nfs/dbraw/zinc/01/36/78/190013678.db2.gz DAXAJDOGAHFNHU-WBVHZDCISA-N 2 0 293.455 1.996 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407442 390421346 /nfs/dbraw/zinc/42/13/46/390421346.db2.gz BSWXCGPEACWUEZ-CYZMBNFOSA-N 2 0 253.390 1.197 40 0 CDABRP [NH3+]CCCCCc1cnc(CCCCC[NH3+])cn1 ZINC000005425956 170098197 /nfs/dbraw/zinc/09/81/97/170098197.db2.gz QXRQWTNFCZBRQD-UHFFFAOYSA-N 2 0 250.390 1.820 40 0 CDABRP CC[NH+](CC)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000004721591 279133066 /nfs/dbraw/zinc/13/30/66/279133066.db2.gz UHQFQSLVYHDGKB-KFWWJZLASA-N 2 0 254.418 1.811 40 0 CDABRP CN(C(=O)C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404150 356989188 /nfs/dbraw/zinc/98/91/88/356989188.db2.gz UAMBYWJSZMCXEZ-CQSZACIVSA-N 2 0 261.369 1.068 40 0 CDABRP C[NH+](C)CCO[C@H]1C[N@H+](Cc2ccco2)[C@@H]2COC[C@H]12 ZINC000096184982 358714309 /nfs/dbraw/zinc/71/43/09/358714309.db2.gz PMTGZLDQVVOPQL-ZNMIVQPWSA-N 2 0 280.368 1.057 40 0 CDABRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000131824647 361153157 /nfs/dbraw/zinc/15/31/57/361153157.db2.gz ZRMZHXKNEGKTNI-FZKCQIBNSA-N 2 0 287.407 1.723 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)C1CCC([NH+](C)C)CC1 ZINC000079407629 284202045 /nfs/dbraw/zinc/20/20/45/284202045.db2.gz VTNGBOCVETVMKR-RUXDESIVSA-N 2 0 269.433 1.691 40 0 CDABRP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000225467779 374468863 /nfs/dbraw/zinc/46/88/63/374468863.db2.gz WQNWUCRAKYLYLQ-KGLIPLIRSA-N 2 0 296.459 1.595 40 0 CDABRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH2+]CC2 ZINC000306130364 374968582 /nfs/dbraw/zinc/96/85/82/374968582.db2.gz JDVZSWDXALIMCP-HNNXBMFYSA-N 2 0 275.396 1.672 40 0 CDABRP C[C@]12CCCN(C(=O)C[NH+]3CCCCC3)[C@@H]1CCC[NH2+]2 ZINC000257299431 190028913 /nfs/dbraw/zinc/02/89/13/190028913.db2.gz RQAUCBJDXHIYPS-ZBFHGGJFSA-N 2 0 279.428 1.605 40 0 CDABRP CC[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216574 390622128 /nfs/dbraw/zinc/62/21/28/390622128.db2.gz BLNBEPWRWBDJKX-HNNXBMFYSA-N 2 0 274.412 1.990 40 0 CDABRP O[C@H](COCC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000005375582 170090513 /nfs/dbraw/zinc/09/05/13/170090513.db2.gz JVZJEPFLQGZCNM-HNNXBMFYSA-N 2 0 270.417 1.336 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404371 356991075 /nfs/dbraw/zinc/99/10/75/356991075.db2.gz OHVNPJOEJUILJY-JSGCOSHPSA-N 2 0 261.369 1.114 40 0 CDABRP [NH3+]CC(=O)N(C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404315 356991342 /nfs/dbraw/zinc/99/13/42/356991342.db2.gz NPGBTYVYFSQFSI-MRXNPFEDSA-N 2 0 287.407 1.601 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000079415334 356994892 /nfs/dbraw/zinc/99/48/92/356994892.db2.gz LDCVQMDQPKOYFP-GXTWGEPZSA-N 2 0 261.369 1.067 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)C(C)C)CC1 ZINC000100177621 358642859 /nfs/dbraw/zinc/64/28/59/358642859.db2.gz XTJQBONVYZQROW-MJBXVCDLSA-N 2 0 269.433 1.737 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000079426696 280271785 /nfs/dbraw/zinc/27/17/85/280271785.db2.gz NRMHZDIZWLNLDG-KBPBESRZSA-N 2 0 269.433 1.691 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826017 280271893 /nfs/dbraw/zinc/27/18/93/280271893.db2.gz SRHSRAZZEHZTDL-AWEZNQCLSA-N 2 0 269.433 1.549 40 0 CDABRP Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[NH2+]1 ZINC000005000664 302898367 /nfs/dbraw/zinc/89/83/67/302898367.db2.gz VKICTVLKQYEMHF-LLVKDONJSA-N 2 0 281.429 1.428 40 0 CDABRP C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3nccs3)CC[C@H]21 ZINC000096083113 185092610 /nfs/dbraw/zinc/09/26/10/185092610.db2.gz NTKJMOBSZMOSRC-UPJWGTAASA-N 2 0 281.425 1.542 40 0 CDABRP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](C)C(=O)OC ZINC000035133629 356829574 /nfs/dbraw/zinc/82/95/74/356829574.db2.gz RKHDUKJSSNGETH-STQMWFEESA-N 2 0 258.406 1.896 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404400 356990538 /nfs/dbraw/zinc/99/05/38/356990538.db2.gz IAHFZJAOBAGHAO-ZFWWWQNUSA-N 2 0 275.396 1.457 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404369 356990988 /nfs/dbraw/zinc/99/09/88/356990988.db2.gz OHVNPJOEJUILJY-GXTWGEPZSA-N 2 0 261.369 1.114 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415353 356994824 /nfs/dbraw/zinc/99/48/24/356994824.db2.gz XFYQWHBVDUWOKS-DZGCQCFKSA-N 2 0 275.396 1.314 40 0 CDABRP C[C@H](C[NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638861438 375094130 /nfs/dbraw/zinc/09/41/30/375094130.db2.gz WKFBWOQIPCGTOB-GFCCVEGCSA-N 2 0 253.390 1.058 40 0 CDABRP CC(C)Oc1ccc([C@H]2C[NH2+]CCN2C(=O)CC[NH3+])cc1 ZINC000257209932 392976940 /nfs/dbraw/zinc/97/69/40/392976940.db2.gz BSLUXMSOIIDVPH-OAHLLOKOSA-N 2 0 291.395 1.296 40 0 CDABRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[NH3+] ZINC000157279227 188308195 /nfs/dbraw/zinc/30/81/95/188308195.db2.gz CWNFSNWVWZFQLI-GFCCVEGCSA-N 2 0 263.385 1.444 40 0 CDABRP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096224803 358722805 /nfs/dbraw/zinc/72/28/05/358722805.db2.gz GEQGELGXICCNNO-HNNXBMFYSA-N 2 0 275.396 1.767 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419663 390422468 /nfs/dbraw/zinc/42/24/68/390422468.db2.gz DESYOLJQOWRHMA-JSGCOSHPSA-N 2 0 267.417 1.303 40 0 CDABRP Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@H](C)[NH3+] ZINC000072224757 390624868 /nfs/dbraw/zinc/62/48/68/390624868.db2.gz DONRDSXCXGRWGD-LBPRGKRZSA-N 2 0 262.401 1.940 40 0 CDABRP CN(C)c1cc(C[NH+](C)C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072352024 176374083 /nfs/dbraw/zinc/37/40/83/176374083.db2.gz OALCXHBFWSMOFH-LBPRGKRZSA-N 2 0 277.416 1.413 40 0 CDABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404463 356990842 /nfs/dbraw/zinc/99/08/42/356990842.db2.gz FUUACBIFNCNOAE-HOCLYGCPSA-N 2 0 289.423 1.847 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407432 356991567 /nfs/dbraw/zinc/99/15/67/356991567.db2.gz BSWXCGPEACWUEZ-WCFLWFBJSA-N 2 0 253.390 1.197 40 0 CDABRP COCC[N@@H+]1CC[C@@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096062295 390912325 /nfs/dbraw/zinc/91/23/25/390912325.db2.gz HPEQOGHBEDDPDD-INIZCTEOSA-N 2 0 294.395 1.450 40 0 CDABRP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000096087190 185093832 /nfs/dbraw/zinc/09/38/32/185093832.db2.gz HXBRINKWVWTXLX-UHFFFAOYSA-N 2 0 293.455 1.661 40 0 CDABRP COC[C@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH2+]CC2 ZINC000585103190 342212743 /nfs/dbraw/zinc/21/27/43/342212743.db2.gz MOHQQVYCSZSNBY-CYBMUJFWSA-N 2 0 295.452 1.900 40 0 CDABRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000333513522 205391292 /nfs/dbraw/zinc/39/12/92/205391292.db2.gz FTXMLYCZBRQQJP-MWLCHTKSSA-N 2 0 294.424 1.404 40 0 CDABRP C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccco3)CC[C@@H]12 ZINC000096056198 185076974 /nfs/dbraw/zinc/07/69/74/185076974.db2.gz GUNFPDHBYGIASN-YUELXQCFSA-N 2 0 264.369 1.678 40 0 CDABRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH2+]C2)OC1 ZINC000585105078 342212945 /nfs/dbraw/zinc/21/29/45/342212945.db2.gz OXSCRMXFKRBJOX-AWEZNQCLSA-N 2 0 261.369 1.282 40 0 CDABRP O=C1[C@H](C[NH+]2CCCC2)CC[C@H]1C[NH+]1CCCC1 ZINC000001642435 355944078 /nfs/dbraw/zinc/94/40/78/355944078.db2.gz CCEGHGZKAMJNLO-KBPBESRZSA-N 2 0 250.386 1.773 40 0 CDABRP CCN(CC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079393592 356988975 /nfs/dbraw/zinc/98/89/75/356988975.db2.gz FBKBFIIZYRXNOT-UHFFFAOYSA-N 2 0 261.413 1.932 40 0 CDABRP CCN(CC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393587 356989325 /nfs/dbraw/zinc/98/93/25/356989325.db2.gz PRGIEYMFWYMHHB-MRXNPFEDSA-N 2 0 261.413 1.932 40 0 CDABRP CCN(CC[NH3+])C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393576 356989889 /nfs/dbraw/zinc/98/98/89/356989889.db2.gz QPCPCGAAZNDQAF-INIZCTEOSA-N 2 0 261.413 1.932 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@H+](C)C(C)C)CC1 ZINC000079419607 356994555 /nfs/dbraw/zinc/99/45/55/356994555.db2.gz XTJQBONVYZQROW-RUXDESIVSA-N 2 0 269.433 1.737 40 0 CDABRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406682 374300200 /nfs/dbraw/zinc/30/02/00/374300200.db2.gz WMZPXJDZGQYJMN-UAGQMJEPSA-N 2 0 276.424 1.910 40 0 CDABRP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH2+]CC2 ZINC000306142927 374971604 /nfs/dbraw/zinc/97/16/04/374971604.db2.gz XOHJNXCGPJQUSA-GFCCVEGCSA-N 2 0 281.425 1.734 40 0 CDABRP CCCC[NH+](CCCC)C[C@H](O)CN1CC[NH2+]CC1 ZINC000045919682 391535184 /nfs/dbraw/zinc/53/51/84/391535184.db2.gz RMRCZZXKRPOLIM-HNNXBMFYSA-N 2 0 271.449 1.155 40 0 CDABRP [NH3+]CC(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391040 356988339 /nfs/dbraw/zinc/98/83/39/356988339.db2.gz MCYTZZHGCVVNPH-OAHLLOKOSA-N 2 0 287.407 1.458 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407644 284202078 /nfs/dbraw/zinc/20/20/78/284202078.db2.gz BFZCJDZRIBIADC-MCIONIFRSA-N 2 0 269.433 1.691 40 0 CDABRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000306141470 374971746 /nfs/dbraw/zinc/97/17/46/374971746.db2.gz VXFSBQRQAISASJ-UHFFFAOYSA-N 2 0 260.381 1.949 40 0 CDABRP CN1CCN(c2ccc(C3=[NH+]CCCC3)cn2)CC1 ZINC000072216533 390621345 /nfs/dbraw/zinc/62/13/45/390621345.db2.gz WFPDAJNEIHUMLA-UHFFFAOYSA-N 2 0 258.369 1.806 40 0 CDABRP Cn1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)n1 ZINC000227220877 140182685 /nfs/dbraw/zinc/18/26/85/140182685.db2.gz WQOWSBRSMYISFG-GJZGRUSLSA-N 2 0 256.353 1.697 40 0 CDABRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000236772454 278049612 /nfs/dbraw/zinc/04/96/12/278049612.db2.gz MQISTURNOQKZSR-LSDHHAIUSA-N 2 0 275.396 1.536 40 0 CDABRP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001682904 482358978 /nfs/dbraw/zinc/35/89/78/482358978.db2.gz UHQFQSLVYHDGKB-ZNMIVQPWSA-N 2 0 254.418 1.811 40 0 CDABRP COC[C@@H]1C[N@H+](Cc2ccccn2)CC12CC[NH+](C)CC2 ZINC000585103051 342212589 /nfs/dbraw/zinc/21/25/89/342212589.db2.gz LIJWIPIYIUBQOS-HNNXBMFYSA-N 2 0 289.423 1.872 40 0 CDABRP C(CCSC1=[NH+]CCN1)CCSC1=[NH+]CCN1 ZINC000001652050 355944229 /nfs/dbraw/zinc/94/42/29/355944229.db2.gz LDDVYCFIBHZIKF-UHFFFAOYSA-N 2 0 272.443 1.542 40 0 CDABRP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000072817082 357852142 /nfs/dbraw/zinc/85/21/42/357852142.db2.gz KFVKJMMNTZHZGZ-HNNXBMFYSA-N 2 0 281.444 1.566 40 0 CDABRP CCN(C(=O)C[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404201 358068742 /nfs/dbraw/zinc/06/87/42/358068742.db2.gz CBZPZNLXYFLTGC-OAHLLOKOSA-N 2 0 275.396 1.458 40 0 CDABRP COc1ncccc1CN1C[C@@H]2COC[C@H]([NH+](C)C)[C@@H]2C1 ZINC000306130250 374967949 /nfs/dbraw/zinc/96/79/49/374967949.db2.gz JACAXMPXWSZBJH-KFWWJZLASA-N 2 0 291.395 1.099 40 0 CDABRP C[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216297 390621140 /nfs/dbraw/zinc/62/11/40/390621140.db2.gz FAKRETLRIRAJQW-AWEZNQCLSA-N 2 0 260.385 1.648 40 0 CDABRP CCSc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1 ZINC000062718345 391574465 /nfs/dbraw/zinc/57/44/65/391574465.db2.gz HIKBHNMRTBGVDO-UHFFFAOYSA-N 2 0 266.414 1.678 40 0 CDABRP C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CC[NH+]1CCCC1)C2 ZINC000000198755 361798577 /nfs/dbraw/zinc/79/85/77/361798577.db2.gz BWPRWNIQEYRCRX-PBWFPOADSA-N 2 0 266.385 1.641 40 0 CDABRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000096054294 185075701 /nfs/dbraw/zinc/07/57/01/185075701.db2.gz XYJDMCLLCOKZOP-CABCVRRESA-N 2 0 295.452 1.195 40 0 CDABRP C[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056655 185078013 /nfs/dbraw/zinc/07/80/13/185078013.db2.gz JUGHDZNUQGHSHW-BMFZPTHFSA-N 2 0 278.371 1.977 40 0 CDABRP C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096056200 185078152 /nfs/dbraw/zinc/07/81/52/185078152.db2.gz MXZQRNLNMBGZRZ-KFWWJZLASA-N 2 0 264.369 1.678 40 0 CDABRP COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)cc1 ZINC000096056656 185078237 /nfs/dbraw/zinc/07/82/37/185078237.db2.gz BWZHVECXEXVRRN-OIISXLGYSA-N 2 0 290.407 1.846 40 0 CDABRP Cc1nn(C)c(C)c1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000094010748 377160158 /nfs/dbraw/zinc/16/01/58/377160158.db2.gz XTCWDYJBPJBICZ-UHFFFAOYSA-N 2 0 250.390 1.468 40 0 CDABRP [NH3+]CC(=O)N1CCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1 ZINC000079393810 390421551 /nfs/dbraw/zinc/42/15/51/390421551.db2.gz SZWLTWOMXXCKQS-INIZCTEOSA-N 2 0 287.407 1.601 40 0 CDABRP Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@@H](C)[NH3+] ZINC000072223711 390624067 /nfs/dbraw/zinc/62/40/67/390624067.db2.gz JORPIOVLSQBSBJ-CYBMUJFWSA-N 2 0 262.401 1.940 40 0 CDABRP C[NH+](C)CC[C@H]1C[N@H+](CC2CCOCC2)Cc2cncn21 ZINC000248102723 391426745 /nfs/dbraw/zinc/42/67/45/391426745.db2.gz IAPFVFBXEYDYTM-HNNXBMFYSA-N 2 0 292.427 1.618 40 0 CDABRP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OC ZINC000008254338 170327364 /nfs/dbraw/zinc/32/73/64/170327364.db2.gz GMMNPQGGZDOEKQ-UHFFFAOYSA-N 2 0 252.358 1.793 40 0 CDABRP CN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404140 356989996 /nfs/dbraw/zinc/98/99/96/356989996.db2.gz QHFGUARBQAPOPI-CQSZACIVSA-N 2 0 261.369 1.068 40 0 CDABRP COc1cccc(C[N@@H+]2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000306135591 374970165 /nfs/dbraw/zinc/97/01/65/374970165.db2.gz OVKBSUNBWPFUHU-USXIJHARSA-N 2 0 290.407 1.704 40 0 CDABRP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CC[NH2+]C1 ZINC000238116516 390905454 /nfs/dbraw/zinc/90/54/54/390905454.db2.gz DDCGIEVFVIIPIJ-LBPRGKRZSA-N 2 0 253.390 1.025 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)C(C)C)CC1 ZINC000242722743 364572905 /nfs/dbraw/zinc/57/29/05/364572905.db2.gz XTJQBONVYZQROW-IHRRRGAJSA-N 2 0 269.433 1.737 40 0 CDABRP C[NH+](C)CCn1cc2[nH]c([C@@H]3CCC[NH2+]3)ccc-2c1=O ZINC000257216859 190014124 /nfs/dbraw/zinc/01/41/24/190014124.db2.gz CWJVGKOUFKUEBQ-LBPRGKRZSA-N 2 0 274.368 1.024 40 0 CDABRP C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047906 185072406 /nfs/dbraw/zinc/07/24/06/185072406.db2.gz DONXMLLLEKAQLH-CYBMUJFWSA-N 2 0 264.369 1.965 40 0 CDABRP CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404441 356991297 /nfs/dbraw/zinc/99/12/97/356991297.db2.gz BNANVLOATIXYEH-HOCLYGCPSA-N 2 0 289.423 1.847 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079415273 356995375 /nfs/dbraw/zinc/99/53/75/356995375.db2.gz WILSUSYHOSOCKQ-INIZCTEOSA-N 2 0 289.423 1.848 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415461 356995673 /nfs/dbraw/zinc/99/56/73/356995673.db2.gz PVIIIXQVYWHOCM-GOEBONIOSA-N 2 0 289.423 1.847 40 0 CDABRP Cc1noc(C)c1C[NH+]1CCC2(C[C@H]([NH+](C)C)CO2)CC1 ZINC000096158613 358710154 /nfs/dbraw/zinc/71/01/54/358710154.db2.gz JCUFEXTXHPUEHP-AWEZNQCLSA-N 2 0 293.411 1.977 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404394 358069109 /nfs/dbraw/zinc/06/91/09/358069109.db2.gz KHQLSUOAUCYAAW-GXTWGEPZSA-N 2 0 261.369 1.067 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000079407753 358068997 /nfs/dbraw/zinc/06/89/97/358068997.db2.gz HFXAYLSFHRGMQL-OCCSQVGLSA-N 2 0 267.417 1.303 40 0 CDABRP Cn1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)n1 ZINC000227220859 140183173 /nfs/dbraw/zinc/18/31/73/140183173.db2.gz WQOWSBRSMYISFG-HUUCEWRRSA-N 2 0 256.353 1.697 40 0 CDABRP CN(CC[NH3+])C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393567 356989257 /nfs/dbraw/zinc/98/92/57/356989257.db2.gz QELIUXPIXHOTPY-INIZCTEOSA-N 2 0 261.413 1.789 40 0 CDABRP CC(C)N(C(=O)[C@H](C)[NH3+])C1CCC([NH+](C)C)CC1 ZINC000079407344 356991021 /nfs/dbraw/zinc/99/10/21/356991021.db2.gz AJXJXDRRDOUBQC-HIFPTAJRSA-N 2 0 255.406 1.443 40 0 CDABRP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404437 356991389 /nfs/dbraw/zinc/99/13/89/356991389.db2.gz YTKGBOYCSMWFEA-DZGCQCFKSA-N 2 0 275.396 1.457 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079424360 356996654 /nfs/dbraw/zinc/99/66/54/356996654.db2.gz FPFBIHLEISCWHK-UHFFFAOYSA-N 2 0 289.423 1.847 40 0 CDABRP OCCC1CC[NH+](CCCC2CC[NH+](CCO)CC2)CC1 ZINC000015442094 372353804 /nfs/dbraw/zinc/35/38/04/372353804.db2.gz WEAGVOARRHUEGL-UHFFFAOYSA-N 2 0 298.471 1.565 40 0 CDABRP CCn1ncc(C[N@H+](C)CC2CC[NH2+]CC2)c1C ZINC000096523715 390537779 /nfs/dbraw/zinc/53/77/79/390537779.db2.gz WFULAKVHZPTHLB-UHFFFAOYSA-N 2 0 250.390 1.643 40 0 CDABRP CCCC[N@H+](C)C[C@@H]1OC[C@H]([NH2+]Cc2ccccn2)[C@H]1O ZINC000514288419 390882134 /nfs/dbraw/zinc/88/21/34/390882134.db2.gz DPMAFSNMWKJWQO-HRCADAONSA-N 2 0 293.411 1.031 40 0 biogenic,in-vitro CDABRP CC(=O)OC1[C@@H](C[NH+](C)C)CCC[C@@H]1C[NH+](C)C ZINC000001717979 278218036 /nfs/dbraw/zinc/21/80/36/278218036.db2.gz ORMYPAKOOYODQY-CHWSQXEVSA-N 2 0 256.390 1.458 40 0 CDABRP CC(C)N(C(=O)C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404262 279274300 /nfs/dbraw/zinc/27/43/00/279274300.db2.gz MPKMDYFUEMQPPD-UHFFFAOYSA-N 2 0 289.423 1.847 40 0 CDABRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C[NH+](C)C)OC[C@@H]3C2)o1 ZINC000096057581 185077156 /nfs/dbraw/zinc/07/71/56/185077156.db2.gz XFNHQIQBYLBFQW-BPUTZDHNSA-N 2 0 278.396 1.987 40 0 CDABRP C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH2+]C2)OC1 ZINC000585105079 342212950 /nfs/dbraw/zinc/21/29/50/342212950.db2.gz OXSCRMXFKRBJOX-CQSZACIVSA-N 2 0 261.369 1.282 40 0 CDABRP [NH3+]CC(=O)N1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391042 356987995 /nfs/dbraw/zinc/98/79/95/356987995.db2.gz MCYTZZHGCVVNPH-HNNXBMFYSA-N 2 0 287.407 1.458 40 0 CDABRP CC[N@H+](CCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393510 356988938 /nfs/dbraw/zinc/98/89/38/356988938.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 2 0 262.397 1.823 40 0 CDABRP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404380 356990806 /nfs/dbraw/zinc/99/08/06/356990806.db2.gz WCCKHYZJOMZFRG-ZFWWWQNUSA-N 2 0 275.396 1.362 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415452 356995590 /nfs/dbraw/zinc/99/55/90/356995590.db2.gz UHAUMLHFWZMALZ-GOEBONIOSA-N 2 0 289.423 1.704 40 0 CDABRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@H](C)C1 ZINC000131012706 374419946 /nfs/dbraw/zinc/41/99/46/374419946.db2.gz PHRYXUSUVCPLHH-ZIAGYGMSSA-N 2 0 298.427 1.276 40 0 CDABRP Cn1ccnc1C[N@@H+]1CCC[C@H](CC[NH+](C)C)C1 ZINC000257295387 190028342 /nfs/dbraw/zinc/02/83/42/190028342.db2.gz QYCKYXJXCLPRAI-CYBMUJFWSA-N 2 0 250.390 1.584 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000079426685 280271379 /nfs/dbraw/zinc/27/13/79/280271379.db2.gz YAMGVSKORIPUEJ-OLZOCXBDSA-N 2 0 255.406 1.301 40 0 CDABRP Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[NH2+]1 ZINC000005000663 363269165 /nfs/dbraw/zinc/26/91/65/363269165.db2.gz VKICTVLKQYEMHF-NSHDSACASA-N 2 0 281.429 1.428 40 0 CDABRP [NH3+]CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404297 356991501 /nfs/dbraw/zinc/99/15/01/356991501.db2.gz NIBGJGRALHGNIQ-INIZCTEOSA-N 2 0 287.407 1.601 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)C1CC1 ZINC000079419678 356994990 /nfs/dbraw/zinc/99/49/90/356994990.db2.gz KADWGGGIEDKWBM-IHRRRGAJSA-N 2 0 267.417 1.491 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC000079415384 356995429 /nfs/dbraw/zinc/99/54/29/356995429.db2.gz GQXMBPXAJSCSAO-GOEBONIOSA-N 2 0 289.423 1.704 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)C2CC2)CC1 ZINC000100177611 358642649 /nfs/dbraw/zinc/64/26/49/358642649.db2.gz UDUWAYCDQYFANT-SCRDCRAPSA-N 2 0 267.417 1.491 40 0 CDABRP C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178275 358643475 /nfs/dbraw/zinc/64/34/75/358643475.db2.gz NRVJIGPEPQOZII-GASCZTMLSA-N 2 0 275.396 1.505 40 0 CDABRP C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096224802 358723235 /nfs/dbraw/zinc/72/32/35/358723235.db2.gz GEQGELGXICCNNO-OAHLLOKOSA-N 2 0 275.396 1.767 40 0 CDABRP O=C(CC[NH+]1CCCC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257210710 283779418 /nfs/dbraw/zinc/77/94/18/283779418.db2.gz BVUXMZUHEUPYNK-INIZCTEOSA-N 2 0 287.407 1.645 40 0 CDABRP [NH3+][C@@H](c1ccccc1)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072225516 390622895 /nfs/dbraw/zinc/62/28/95/390622895.db2.gz DFRPKIDIUPMUER-INIZCTEOSA-N 2 0 268.364 1.539 40 0 CDABRP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC000096160642 390947522 /nfs/dbraw/zinc/94/75/22/390947522.db2.gz ATCPTTQXVGVUEM-JKSUJKDBSA-N 2 0 291.395 1.051 40 0 CDABRP C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)C[NH+]1CCCCC1 ZINC000257318771 391649931 /nfs/dbraw/zinc/64/99/31/391649931.db2.gz VPGKCNWQLUTTQH-RDJZCZTQSA-N 2 0 293.455 1.948 40 0 CDABRP C[NH+]1CCN(C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000020220133 277103779 /nfs/dbraw/zinc/10/37/79/277103779.db2.gz QHCMAKHRJXKYCW-UHFFFAOYSA-N 2 0 251.418 1.641 40 0 CDABRP C1CSC(=[N+]2CC[N+](=C3SCCS3)CC2)S1 ZINC000001732788 277759577 /nfs/dbraw/zinc/75/95/77/277759577.db2.gz RTMVVRIQWDAVLG-UHFFFAOYSA-N 2 0 292.520 1.697 40 0 CDABRP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404351 356991030 /nfs/dbraw/zinc/99/10/30/356991030.db2.gz FDAVDUMHZCEFPC-GXTWGEPZSA-N 2 0 261.369 1.114 40 0 CDABRP Nc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000237971188 361499756 /nfs/dbraw/zinc/49/97/56/361499756.db2.gz RSAVQMVVDVVWOK-FGWVZKOKSA-N 2 0 260.341 1.523 40 0 CDABRP CC[N@H+](CCNC(=O)N(C)CC1CC[NH+](C)CC1)C(C)C ZINC000078441865 177341892 /nfs/dbraw/zinc/34/18/92/177341892.db2.gz IPFGRNXNXCFDPB-UHFFFAOYSA-N 2 0 298.475 1.700 40 0 CDABRP CC(C)N(CC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393603 356989139 /nfs/dbraw/zinc/98/91/39/356989139.db2.gz VGOUQMHKGQKVRP-MRXNPFEDSA-N 2 0 261.413 1.930 40 0 CDABRP C[C@H]([NH3+])C(=O)NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000079415399 356995486 /nfs/dbraw/zinc/99/54/86/356995486.db2.gz AVBMFYNMCVGMCZ-JEYLPNPQSA-N 2 0 289.423 1.893 40 0 CDABRP CC[NH+](CC)CCOC(=N)C(=N)OCC[NH+](CC)CC ZINC000104152945 358948080 /nfs/dbraw/zinc/94/80/80/358948080.db2.gz UTMDIOLXAMUAOT-UHFFFAOYSA-N 2 0 286.420 1.658 40 0 CDABRP O=C(C1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000169815650 283762028 /nfs/dbraw/zinc/76/20/28/283762028.db2.gz DELNFBCRHJOYBI-HNNXBMFYSA-N 2 0 273.380 1.159 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177540 284201956 /nfs/dbraw/zinc/20/19/56/284201956.db2.gz VTNGBOCVETVMKR-MJBXVCDLSA-N 2 0 269.433 1.691 40 0 CDABRP O=c1[nH]c([C@H]2CC[NH2+]C2)nc2c1CC[N@@H+](C1CCCC1)C2 ZINC000257335472 374421607 /nfs/dbraw/zinc/42/16/07/374421607.db2.gz YKGNIHMLFPJZHF-NSHDSACASA-N 2 0 288.395 1.560 40 0 CDABRP NC(=[NH2+])c1ccc(OCCOc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000006092671 170175881 /nfs/dbraw/zinc/17/58/81/170175881.db2.gz PWLGDGGFMJVYHP-UHFFFAOYSA-N 2 0 298.346 1.713 40 0 CDABRP C[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101674794 342558294 /nfs/dbraw/zinc/55/82/94/342558294.db2.gz IVYFRJJQWNLGJP-CABCVRRESA-N 2 0 275.396 1.505 40 0 CDABRP C[NH+](C)CCO[C@H]1C[N@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057458 282109750 /nfs/dbraw/zinc/10/97/50/282109750.db2.gz LYWUZFGUCGHDEK-ILXRZTDVSA-N 2 0 268.401 1.206 40 0 CDABRP [NH3+]CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404293 356991165 /nfs/dbraw/zinc/99/11/65/356991165.db2.gz NIBGJGRALHGNIQ-MRXNPFEDSA-N 2 0 287.407 1.601 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404412 356991260 /nfs/dbraw/zinc/99/12/60/356991260.db2.gz CDRBADUMCKUHRH-DZGCQCFKSA-N 2 0 275.396 1.457 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000079415372 356995389 /nfs/dbraw/zinc/99/53/89/356995389.db2.gz HTQJBDSJAJZALQ-GOEBONIOSA-N 2 0 289.423 1.847 40 0 CDABRP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000079415342 390421359 /nfs/dbraw/zinc/42/13/59/390421359.db2.gz HHYJJFBHESCDTQ-DZGCQCFKSA-N 2 0 275.396 1.457 40 0 CDABRP C[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216508 390621085 /nfs/dbraw/zinc/62/10/85/390621085.db2.gz QWCOKQBOPGXDAF-CQSZACIVSA-N 2 0 260.385 1.600 40 0 CDABRP O=C(CC[NH+]1CCCC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257210711 295473384 /nfs/dbraw/zinc/47/33/84/295473384.db2.gz BVUXMZUHEUPYNK-MRXNPFEDSA-N 2 0 287.407 1.645 40 0 CDABRP [NH2+]=C1NC(=[NH2+])N(c2ccc(F)cc2)C2(CCCCC2)N1 ZINC000000203639 303359958 /nfs/dbraw/zinc/35/99/58/303359958.db2.gz LOLGTDLTPLOBDZ-UHFFFAOYSA-N 2 0 275.331 1.936 40 0 CDABRP O[C@@H]1CC[NH2+]CC12CC[NH+](Cc1ccccc1)CC2 ZINC000096949618 185139237 /nfs/dbraw/zinc/13/92/37/185139237.db2.gz WLTDPHYLZCPVBG-OAHLLOKOSA-N 2 0 260.381 1.623 40 0 CDABRP CN(C(=O)C[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404152 356989429 /nfs/dbraw/zinc/98/94/29/356989429.db2.gz UAMBYWJSZMCXEZ-AWEZNQCLSA-N 2 0 261.369 1.068 40 0 CDABRP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079414536 356993570 /nfs/dbraw/zinc/99/35/70/356993570.db2.gz LUWJHNCGBWFZBX-MRXNPFEDSA-N 2 0 261.413 1.789 40 0 CDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC000096056481 289151651 /nfs/dbraw/zinc/15/16/51/289151651.db2.gz PQBWMHQBQAISKO-ZIAGYGMSSA-N 2 0 265.401 1.023 40 0 CDABRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404163 356989021 /nfs/dbraw/zinc/98/90/21/356989021.db2.gz KBZJWKHZJFYMLV-OAHLLOKOSA-N 2 0 275.396 1.458 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000079414576 356993489 /nfs/dbraw/zinc/99/34/89/356993489.db2.gz YOJPKTPEYOXWLK-INIZCTEOSA-N 2 0 261.413 1.789 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079415275 356995254 /nfs/dbraw/zinc/99/52/54/356995254.db2.gz WILSUSYHOSOCKQ-MRXNPFEDSA-N 2 0 289.423 1.848 40 0 CDABRP Cc1nc(N2CC[NH2+]CC2)ccc1[C@@H]([NH3+])c1ccccc1 ZINC000072224631 390624765 /nfs/dbraw/zinc/62/47/65/390624765.db2.gz XNRXCQRZWXWFOC-KRWDZBQOSA-N 2 0 282.391 1.848 40 0 CDABRP Cc1n[nH]cc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000078552943 177353279 /nfs/dbraw/zinc/35/32/79/177353279.db2.gz GDTSVSZLTDPDLP-UHFFFAOYSA-N 2 0 279.432 1.081 40 0 CDABRP CC(C)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519262 358433600 /nfs/dbraw/zinc/43/36/00/358433600.db2.gz JVIPXMTUDOCJRN-UHFFFAOYSA-N 2 0 269.433 1.422 40 0 CDABRP C[NH+]1CCN(c2ncccc2[C@H]2CCCC[N@@H+]2C)CC1 ZINC000072216597 390622171 /nfs/dbraw/zinc/62/21/71/390622171.db2.gz DRDZMYRORBTDAE-OAHLLOKOSA-N 2 0 274.412 1.990 40 0 CDABRP CC[C@@H]([NH3+])c1cnc(N2CC[NH+](CC)CC2)cc1C ZINC000072223636 390624132 /nfs/dbraw/zinc/62/41/32/390624132.db2.gz DEQFHOAXOZWDBR-CQSZACIVSA-N 2 0 262.401 1.942 40 0 CDABRP C[C@H]1CCN(C)CC[N@H+](C)[C@@H](C)CCN(C)CC[NH+]1C ZINC000226642863 392005298 /nfs/dbraw/zinc/00/52/98/392005298.db2.gz OMMPWWHFHXHTRC-HOTGVXAUSA-N 2 0 284.492 1.284 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415248 356994630 /nfs/dbraw/zinc/99/46/30/356994630.db2.gz GMQWMYWSSNFBEC-HNNXBMFYSA-N 2 0 275.396 1.316 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000079407736 390421141 /nfs/dbraw/zinc/42/11/41/390421141.db2.gz HSYLAXVJVBRMEE-OLZOCXBDSA-N 2 0 253.390 1.055 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)C(C)C)C1 ZINC000079419579 390421679 /nfs/dbraw/zinc/42/16/79/390421679.db2.gz MJAABYHLZCPPIW-STQMWFEESA-N 2 0 255.406 1.158 40 0 CDABRP C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000096056206 185077236 /nfs/dbraw/zinc/07/72/36/185077236.db2.gz XKAOEIOBPKMTDG-BMFZPTHFSA-N 2 0 275.396 1.480 40 0 CDABRP CC(C)C[C@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000066245084 348740717 /nfs/dbraw/zinc/74/07/17/348740717.db2.gz YHCGXUUAWAYKPO-CYBMUJFWSA-N 2 0 252.406 1.436 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)C(C)C)C1 ZINC000079419576 356995126 /nfs/dbraw/zinc/99/51/26/356995126.db2.gz MJAABYHLZCPPIW-OLZOCXBDSA-N 2 0 255.406 1.158 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)C(C)C ZINC000079419611 356995556 /nfs/dbraw/zinc/99/55/56/356995556.db2.gz SKLYRXLGFFAHCD-IHRRRGAJSA-N 2 0 269.433 1.737 40 0 CDABRP C[C@@H](C[NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638861439 375094124 /nfs/dbraw/zinc/09/41/24/375094124.db2.gz WKFBWOQIPCGTOB-LBPRGKRZSA-N 2 0 253.390 1.058 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407776 280271665 /nfs/dbraw/zinc/27/16/65/280271665.db2.gz FSLYSVPDBWEKLE-KKUMJFAQSA-N 2 0 281.444 1.834 40 0 CDABRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH2+]CC2 ZINC000306130365 374968444 /nfs/dbraw/zinc/96/84/44/374968444.db2.gz JDVZSWDXALIMCP-OAHLLOKOSA-N 2 0 275.396 1.672 40 0 CDABRP [NH3+][C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000247115451 131100884 /nfs/dbraw/zinc/10/08/84/131100884.db2.gz ZRMZHXKNEGKTNI-WCVJEAGWSA-N 2 0 287.407 1.723 40 0 CDABRP O=C(C1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000169815649 362161333 /nfs/dbraw/zinc/16/13/33/362161333.db2.gz DELNFBCRHJOYBI-OAHLLOKOSA-N 2 0 273.380 1.159 40 0 CDABRP [NH3+]CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404305 356990577 /nfs/dbraw/zinc/99/05/77/356990577.db2.gz WPGILYVLSSJLMQ-OAHLLOKOSA-N 2 0 287.407 1.458 40 0 CDABRP [NH3+]CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404110 358068813 /nfs/dbraw/zinc/06/88/13/358068813.db2.gz CHSRVIMTHWTFTE-CQSZACIVSA-N 2 0 261.369 1.116 40 0 CDABRP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079415309 390421162 /nfs/dbraw/zinc/42/11/62/390421162.db2.gz ITJOLDJGJYZJFD-INIZCTEOSA-N 2 0 289.423 1.847 40 0 CDABRP Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@H](C)[NH3+] ZINC000072223712 390623990 /nfs/dbraw/zinc/62/39/90/390623990.db2.gz JORPIOVLSQBSBJ-ZDUSSCGKSA-N 2 0 262.401 1.940 40 0 CDABRP CC[NH+](CC)C[C@@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000004721592 170004935 /nfs/dbraw/zinc/00/49/35/170004935.db2.gz UHQFQSLVYHDGKB-RBSFLKMASA-N 2 0 254.418 1.811 40 0 CDABRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000903463727 625996325 /nfs/dbraw/zinc/99/63/25/625996325.db2.gz KKEQVEAIQQUXGB-WCQYABFASA-N 2 0 259.353 1.568 40 0 CDABRP C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@@]2(C[NH2+]CCOC2)O1 ZINC000248007214 362143918 /nfs/dbraw/zinc/14/39/18/362143918.db2.gz ATCPTTQXVGVUEM-CVEARBPZSA-N 2 0 291.395 1.051 40 0 CDABRP O=C1[C@@H](C[NH+]2CCCC2)CC[C@H]1C[NH+]1CCCC1 ZINC000001642434 355944356 /nfs/dbraw/zinc/94/43/56/355944356.db2.gz CCEGHGZKAMJNLO-OKILXGFUSA-N 2 0 250.386 1.773 40 0 CDABRP [NH3+]CC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391044 356988628 /nfs/dbraw/zinc/98/86/28/356988628.db2.gz SXQUPPKJTQSBEQ-MRXNPFEDSA-N 2 0 287.407 1.601 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404645 356990495 /nfs/dbraw/zinc/99/04/95/356990495.db2.gz WBPPPFVISLBPTQ-CVEARBPZSA-N 2 0 289.423 1.703 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404606 356991089 /nfs/dbraw/zinc/99/10/89/356991089.db2.gz POTNTNYJJFONTH-HOTGVXAUSA-N 2 0 289.423 1.608 40 0 CDABRP c1cnn(C[C@@H]2C[C@@H]3C[NH2+]CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC000306144542 374972418 /nfs/dbraw/zinc/97/24/18/374972418.db2.gz ZIEGDECYALJCFM-ILXRZTDVSA-N 2 0 260.385 1.346 40 0 CDABRP CC[NH+](CC)CCN(CC[NH+](CC)CC)C(C)=O ZINC000001577535 390138866 /nfs/dbraw/zinc/13/88/66/390138866.db2.gz MKBJLFDFSVJMRZ-UHFFFAOYSA-N 2 0 257.422 1.519 40 0 CDABRP CC[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216273 390621106 /nfs/dbraw/zinc/62/11/06/390621106.db2.gz GYWQMIDYYSJOCB-CQSZACIVSA-N 2 0 260.385 1.648 40 0 CDABRP C[NH2+]Cc1ccc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000072224763 390624831 /nfs/dbraw/zinc/62/48/31/390624831.db2.gz FGWRUPCXMFCITN-UHFFFAOYSA-N 2 0 262.401 1.640 40 0 CDABRP CC[NH+](CC)CC[C@H](CNC(N)=[NH2+])c1ccccc1 ZINC000008615012 170342818 /nfs/dbraw/zinc/34/28/18/170342818.db2.gz HCIQVJVSJDZCGW-CQSZACIVSA-N 2 0 262.401 1.985 40 0 CDABRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000078499881 177347532 /nfs/dbraw/zinc/34/75/32/177347532.db2.gz GSXHVJNJVVXWER-HNNXBMFYSA-N 2 0 297.443 1.088 40 0 CDABRP N[C@@H](c1noc(CN2CCCC2)n1)c1ccccc1 ZINC000070453754 361972699 /nfs/dbraw/zinc/97/26/99/361972699.db2.gz AOBRUQWNVCZSPP-CYBMUJFWSA-N 2 0 258.325 1.714 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414631 356993537 /nfs/dbraw/zinc/99/35/37/356993537.db2.gz OJAFGUFLTDSKFF-MRXNPFEDSA-N 2 0 261.413 1.930 40 0 CDABRP CC[N@@H+]1CC[C@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@H](C)C1 ZINC000131012502 374419486 /nfs/dbraw/zinc/41/94/86/374419486.db2.gz PHRYXUSUVCPLHH-KGLIPLIRSA-N 2 0 298.427 1.276 40 0 CDABRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000192546202 378200073 /nfs/dbraw/zinc/20/00/73/378200073.db2.gz ALGNQLMLAXQSGJ-HOTGVXAUSA-N 2 0 283.375 1.708 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000079407674 390421798 /nfs/dbraw/zinc/42/17/98/390421798.db2.gz QZAGKHDAUDASEO-OLZOCXBDSA-N 2 0 255.406 1.301 40 0 CDABRP CN(C)c1cc(C[NH+](C)C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072352025 176374375 /nfs/dbraw/zinc/37/43/75/176374375.db2.gz OALCXHBFWSMOFH-GFCCVEGCSA-N 2 0 277.416 1.413 40 0 CDABRP C[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096100353 185097931 /nfs/dbraw/zinc/09/79/31/185097931.db2.gz OJJMXDMNLZPJHX-BZPMIXESSA-N 2 0 266.410 1.899 40 0 CDABRP CN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404167 356990144 /nfs/dbraw/zinc/99/01/44/356990144.db2.gz WMPRNLZOPOUTET-HNNXBMFYSA-N 2 0 275.396 1.316 40 0 CDABRP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096051918 390912229 /nfs/dbraw/zinc/91/22/29/390912229.db2.gz OEOZLFWSQPTAQX-GDBMZVCRSA-N 2 0 294.395 1.449 40 0 CDABRP O[C@@H](COCC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000005375562 170090560 /nfs/dbraw/zinc/09/05/60/170090560.db2.gz JVZJEPFLQGZCNM-OAHLLOKOSA-N 2 0 270.417 1.336 40 0 CDABRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000078499878 177347557 /nfs/dbraw/zinc/34/75/57/177347557.db2.gz GSXHVJNJVVXWER-OAHLLOKOSA-N 2 0 297.443 1.088 40 0 CDABRP COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH2+]CC2 ZINC000585102662 342212569 /nfs/dbraw/zinc/21/25/69/342212569.db2.gz AFZSCHZHIBOZPQ-ZDUSSCGKSA-N 2 0 264.369 1.728 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000079407684 356990934 /nfs/dbraw/zinc/99/09/34/356990934.db2.gz PQAYVJPHLNGMAE-OLZOCXBDSA-N 2 0 255.406 1.158 40 0 CDABRP Cc1ncc(CN(CCO)Cc2cccs2)n1C ZINC000013997509 366505710 /nfs/dbraw/zinc/50/57/10/366505710.db2.gz FJAPOIDHQUUUJJ-UHFFFAOYSA-N 2 0 265.382 1.785 40 0 CDABRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CC[NH2+]CC2 ZINC000306128280 374968024 /nfs/dbraw/zinc/96/80/24/374968024.db2.gz GVXWWIGFRLUBFA-HNNXBMFYSA-N 2 0 282.428 1.504 40 0 CDABRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000225562346 375164782 /nfs/dbraw/zinc/16/47/82/375164782.db2.gz DOWRCVHKZKDWQA-UHFFFAOYSA-N 2 0 275.396 1.995 40 0 CDABRP O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000005480375 170103357 /nfs/dbraw/zinc/10/33/57/170103357.db2.gz MANDDTJKNPGWKZ-ILXRZTDVSA-N 2 0 280.412 1.794 40 0 CDABRP c1cc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)ccn1 ZINC000096240065 265346219 /nfs/dbraw/zinc/34/62/19/265346219.db2.gz XAXWWRMEWBVMPM-UHFFFAOYSA-N 2 0 261.369 1.284 40 0 CDABRP Cc1ccc2[nH]c(=O)c(CNCCC[NH+](C)C)cc2c1 ZINC000004132825 356020227 /nfs/dbraw/zinc/02/02/27/356020227.db2.gz LTDHDTYCOBTQDU-UHFFFAOYSA-N 2 0 273.380 1.878 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407437 356990922 /nfs/dbraw/zinc/99/09/22/356990922.db2.gz BSWXCGPEACWUEZ-DRZSPHRISA-N 2 0 253.390 1.197 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407448 356991106 /nfs/dbraw/zinc/99/11/06/356991106.db2.gz BSWXCGPEACWUEZ-UHTWSYAYSA-N 2 0 253.390 1.197 40 0 CDABRP CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407646 356991423 /nfs/dbraw/zinc/99/14/23/356991423.db2.gz BFZCJDZRIBIADC-RDBSUJKOSA-N 2 0 269.433 1.691 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404547 356991429 /nfs/dbraw/zinc/99/14/29/356991429.db2.gz FLQIYJMLFSGQTA-BBRMVZONSA-N 2 0 287.407 1.599 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415253 356995006 /nfs/dbraw/zinc/99/50/06/356995006.db2.gz GMQWMYWSSNFBEC-OAHLLOKOSA-N 2 0 275.396 1.316 40 0 CDABRP Cc1nc(N2CC[NH2+]CC2)ccc1[C@H]([NH3+])c1ccccc1 ZINC000072224630 390625025 /nfs/dbraw/zinc/62/50/25/390625025.db2.gz XNRXCQRZWXWFOC-QGZVFWFLSA-N 2 0 282.391 1.848 40 0 CDABRP CC(C)N(C)Cc1nnc2n1CC[N@@H+](CC1CC1)CC2 ZINC000096058960 390912445 /nfs/dbraw/zinc/91/24/45/390912445.db2.gz HKNZOECKHOEOSN-UHFFFAOYSA-N 2 0 277.416 1.386 40 0 CDABRP CC1(C)C[NH2+][C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469547 392468370 /nfs/dbraw/zinc/46/83/70/392468370.db2.gz GIBPUQUGBBLMRZ-BPCQOVAHSA-N 2 0 265.401 1.118 40 0 CDABRP CN[C@H](CC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000022873544 356622627 /nfs/dbraw/zinc/62/26/27/356622627.db2.gz RUXWKZUHMGQHFE-OAHLLOKOSA-N 2 0 253.434 1.936 40 0 CDABRP C[N@H+](CCO)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393502 356989823 /nfs/dbraw/zinc/98/98/23/356989823.db2.gz HRAQCAJWDPPYSO-UHFFFAOYSA-N 2 0 262.397 1.823 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000079415420 356994719 /nfs/dbraw/zinc/99/47/19/356994719.db2.gz CUEGXVIPFGXYJP-NUEKZKHPSA-N 2 0 289.423 1.893 40 0 CDABRP Cc1ccc(C[NH+]2CC3(C2)CO[C@H](C[NH+](C)C)C3)o1 ZINC000096239515 358724406 /nfs/dbraw/zinc/72/44/06/358724406.db2.gz LCUYQSYQUUHIKU-AWEZNQCLSA-N 2 0 264.369 1.741 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037028193 367279581 /nfs/dbraw/zinc/27/95/81/367279581.db2.gz XKZKAPZLJSQVNX-CABCVRRESA-N 2 0 275.396 1.360 40 0 CDABRP CC[C@H]([NH3+])c1cnc(N2CC[NH+](CC)CC2)cc1C ZINC000072223635 390623983 /nfs/dbraw/zinc/62/39/83/390623983.db2.gz DEQFHOAXOZWDBR-AWEZNQCLSA-N 2 0 262.401 1.942 40 0 CDABRP Cn1cccc1C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC000096240063 393010091 /nfs/dbraw/zinc/01/00/91/393010091.db2.gz OTRMEPZFGDVYDV-UHFFFAOYSA-N 2 0 263.385 1.227 40 0 CDABRP C[NH+](C)[C@@]1([C@@H](C[NH3+])CO)C[C@H]2CC[C@]1(C)C2(C)C ZINC000072210465 342272777 /nfs/dbraw/zinc/27/27/77/342272777.db2.gz SYVBJXKIQQWHLO-AYRXBEOTSA-N 2 0 254.418 1.700 40 0 CDABRP Cc1cc([C@@H](C)[NH3+])cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222669 256705885 /nfs/dbraw/zinc/70/58/85/256705885.db2.gz OPNNINJSSPLLAN-CYBMUJFWSA-N 2 0 262.401 1.940 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C1CC1)C1CCC([NH+](C)C)CC1 ZINC000079407431 278223398 /nfs/dbraw/zinc/22/33/98/278223398.db2.gz KNASPSIAHMEIJI-UNXYVOJBSA-N 2 0 253.390 1.197 40 0 CDABRP CCN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407621 285083467 /nfs/dbraw/zinc/08/34/67/285083467.db2.gz GNJXIKOTGSOKCM-STQMWFEESA-N 2 0 255.406 1.160 40 0 CDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415435 276142337 /nfs/dbraw/zinc/14/23/37/276142337.db2.gz BDCXFJSOHIWZJA-ZFWWWQNUSA-N 2 0 275.396 1.457 40 0 CDABRP C[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC000197192745 277103800 /nfs/dbraw/zinc/10/38/00/277103800.db2.gz LNKXBJRJYVFVEV-GVDBMIGSSA-N 2 0 289.467 1.910 40 0 CDABRP CC(C)C[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCCC1 ZINC000066245083 348740292 /nfs/dbraw/zinc/74/02/92/348740292.db2.gz YHCGXUUAWAYKPO-ZDUSSCGKSA-N 2 0 252.406 1.436 40 0 CDABRP CCC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(OC)cc1 ZINC000001842850 355953043 /nfs/dbraw/zinc/95/30/43/355953043.db2.gz LCDVARMXFQZGHS-LLVKDONJSA-N 2 0 261.329 1.271 40 0 CDABRP C1CC[NH+](C2CCN([C@H]3COC4(C3)CC[NH2+]CC4)CC2)C1 ZINC000024523099 356656748 /nfs/dbraw/zinc/65/67/48/356656748.db2.gz SLHBNHDKMKNOGN-MRXNPFEDSA-N 2 0 293.455 1.458 40 0 CDABRP CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404186 356989544 /nfs/dbraw/zinc/98/95/44/356989544.db2.gz ZQGIHLJCGMEUGZ-HNNXBMFYSA-N 2 0 275.396 1.458 40 0 CDABRP CC(C)[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415509 356994646 /nfs/dbraw/zinc/99/46/46/356994646.db2.gz DKEAUQXYWFHRRV-HOCLYGCPSA-N 2 0 289.423 1.845 40 0 CDABRP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3C[NH+](C)C)C2)n1 ZINC000096187306 358715067 /nfs/dbraw/zinc/71/50/67/358715067.db2.gz NESUYBNHTHSYPB-DJIMGWMZSA-N 2 0 289.423 1.789 40 0 CDABRP CCN(C(=O)C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404181 276061072 /nfs/dbraw/zinc/06/10/72/276061072.db2.gz SLSGVCNCZMADIW-CQSZACIVSA-N 2 0 261.369 1.068 40 0 CDABRP C1CC[NH+](C2CCN([C@@H]3COC4(C3)CC[NH2+]CC4)CC2)C1 ZINC000024523096 356656978 /nfs/dbraw/zinc/65/69/78/356656978.db2.gz SLHBNHDKMKNOGN-INIZCTEOSA-N 2 0 293.455 1.458 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079404435 356991210 /nfs/dbraw/zinc/99/12/10/356991210.db2.gz AXAUIOKNEDSOPZ-AWEZNQCLSA-N 2 0 289.423 1.704 40 0 CDABRP [NH3+]CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404301 356991374 /nfs/dbraw/zinc/99/13/74/356991374.db2.gz WPGILYVLSSJLMQ-HNNXBMFYSA-N 2 0 287.407 1.458 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000242400350 364514319 /nfs/dbraw/zinc/51/43/19/364514319.db2.gz AVBMFYNMCVGMCZ-BPUTZDHNSA-N 2 0 289.423 1.893 40 0 CDABRP Cc1nn(C)cc1C[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000096523713 390537812 /nfs/dbraw/zinc/53/78/12/390537812.db2.gz JKYOZRDYDLWRCY-CYBMUJFWSA-N 2 0 250.390 1.550 40 0 CDABRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000156170739 188246529 /nfs/dbraw/zinc/24/65/29/188246529.db2.gz SOKBCLLBRVHMEP-MRXNPFEDSA-N 2 0 281.444 1.123 40 0 CDABRP [NH3+]CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000079404113 356989750 /nfs/dbraw/zinc/98/97/50/356989750.db2.gz CHSRVIMTHWTFTE-AWEZNQCLSA-N 2 0 261.369 1.116 40 0 CDABRP COc1cccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096158869 358710144 /nfs/dbraw/zinc/71/01/44/358710144.db2.gz LKKYXYUAFOMDPG-UHFFFAOYSA-N 2 0 276.380 1.650 40 0 CDABRP [NH3+][C@@H]1CC[C@@H](C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000237989373 390896523 /nfs/dbraw/zinc/89/65/23/390896523.db2.gz YKNKEZGOBAZKJL-CHWSQXEVSA-N 2 0 267.417 1.542 40 0 CDABRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237433654 391213758 /nfs/dbraw/zinc/21/37/58/391213758.db2.gz VXQUUKATLHUGSA-LOWDOPEQSA-N 2 0 253.390 1.232 40 0 CDABRP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047907 185072981 /nfs/dbraw/zinc/07/29/81/185072981.db2.gz DONXMLLLEKAQLH-ZDUSSCGKSA-N 2 0 264.369 1.965 40 0 CDABRP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404403 356991472 /nfs/dbraw/zinc/99/14/72/356991472.db2.gz IAHFZJAOBAGHAO-DZGCQCFKSA-N 2 0 275.396 1.457 40 0 CDABRP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccco3)C2)C1 ZINC000096206890 358719970 /nfs/dbraw/zinc/71/99/70/358719970.db2.gz KBNMEOLDUCQEMX-UKRRQHHQSA-N 2 0 264.369 1.965 40 0 CDABRP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168954 188361596 /nfs/dbraw/zinc/36/15/96/188361596.db2.gz WMZPXJDZGQYJMN-DJIMGWMZSA-N 2 0 276.424 1.910 40 0 CDABRP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415449 356994534 /nfs/dbraw/zinc/99/45/34/356994534.db2.gz UHAUMLHFWZMALZ-HOCLYGCPSA-N 2 0 289.423 1.704 40 0 CDABRP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1 ZINC000079415425 356995459 /nfs/dbraw/zinc/99/54/59/356995459.db2.gz CUEGXVIPFGXYJP-CWRNSKLLSA-N 2 0 289.423 1.893 40 0 CDABRP c1cn2c(n1)C[C@H]1C[N@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306124244 374968603 /nfs/dbraw/zinc/96/86/03/374968603.db2.gz BKLCJVNESLNMKC-KBPBESRZSA-N 2 0 254.337 1.582 40 0 CDABRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+] ZINC000079414509 390421102 /nfs/dbraw/zinc/42/11/02/390421102.db2.gz FXFUTWYIESLTGP-INIZCTEOSA-N 2 0 261.413 1.932 40 0 CDABRP C[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)cc1C ZINC000072223718 390623915 /nfs/dbraw/zinc/62/39/15/390623915.db2.gz KBBYKHRZMGZUTI-UHFFFAOYSA-N 2 0 262.401 1.640 40 0 CDABRP CSc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1 ZINC000001842834 274188215 /nfs/dbraw/zinc/18/82/15/274188215.db2.gz GYXWUBHCYWWAOK-UHFFFAOYSA-N 2 0 263.370 1.594 40 0 CDABRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccco1 ZINC000096056469 185077995 /nfs/dbraw/zinc/07/79/95/185077995.db2.gz CLGPSNYRTAVZIO-HUUCEWRRSA-N 2 0 291.395 1.407 40 0 CDABRP O=C1[C@@H](C[NH+]2CCCC2)CC[C@@H]1C[NH+]1CCCC1 ZINC000001642436 355944256 /nfs/dbraw/zinc/94/42/56/355944256.db2.gz CCEGHGZKAMJNLO-ZIAGYGMSSA-N 2 0 250.386 1.773 40 0 CDABRP CCN(CC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393590 356989937 /nfs/dbraw/zinc/98/99/37/356989937.db2.gz PRGIEYMFWYMHHB-INIZCTEOSA-N 2 0 261.413 1.932 40 0 CDABRP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404461 356990951 /nfs/dbraw/zinc/99/09/51/356990951.db2.gz FUUACBIFNCNOAE-GOEBONIOSA-N 2 0 289.423 1.847 40 0 CDABRP CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[NH3+])CC1 ZINC000079415287 356994839 /nfs/dbraw/zinc/99/48/39/356994839.db2.gz OGEHXQPVXHKHNA-UHFFFAOYSA-N 2 0 289.423 1.706 40 0 CDABRP [NH3+]CCC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015424003 357452458 /nfs/dbraw/zinc/45/24/58/357452458.db2.gz CEDAAUXSIKFVJY-UHFFFAOYSA-N 2 0 262.353 1.976 40 0 CDABRP C[N@H+](CCO)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000019586122 356492645 /nfs/dbraw/zinc/49/26/45/356492645.db2.gz LWPKALROSACKPT-UHFFFAOYSA-N 2 0 288.395 1.454 40 0 CDABRP CC(C)C[NH+](CC(C)C)C[C@H](O)CN1CCC[NH2+]CC1 ZINC000064875814 357235441 /nfs/dbraw/zinc/23/54/41/357235441.db2.gz SZEVXZXHTFVUKU-MRXNPFEDSA-N 2 0 285.476 1.257 40 0 CDABRP C[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000072816501 357851955 /nfs/dbraw/zinc/85/19/55/357851955.db2.gz ZBQXLQWMVLHRMG-CQSZACIVSA-N 2 0 267.417 1.320 40 0 CDABRP C[N@H+](CCN)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393572 390421312 /nfs/dbraw/zinc/42/13/12/390421312.db2.gz FWEGUQXRMAJZLC-UHFFFAOYSA-N 2 0 261.413 1.789 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177633 280271923 /nfs/dbraw/zinc/27/19/23/280271923.db2.gz YVXAUXLXZNYEJP-GUTXKFCHSA-N 2 0 281.444 1.834 40 0 CDABRP C[NH+]1CCC2(CCC[N@H+](CC3(C)COC3)C2)CC1 ZINC000799178981 937381011 /nfs/dbraw/zinc/38/10/11/937381011.db2.gz VVVVSKVAAPYWQL-UHFFFAOYSA-N 2 0 252.402 1.831 40 0 CDABRP CC(C)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH3+] ZINC000079404247 356989058 /nfs/dbraw/zinc/98/90/58/356989058.db2.gz RBWCFZVBMBVXRM-MRXNPFEDSA-N 2 0 289.423 1.704 40 0 CDABRP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000040809025 357010304 /nfs/dbraw/zinc/01/03/04/357010304.db2.gz CQHCNKFJLPHUHS-KBPBESRZSA-N 2 0 261.369 1.158 40 0 CDABRP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407781 280271790 /nfs/dbraw/zinc/27/17/90/280271790.db2.gz FSLYSVPDBWEKLE-KFWWJZLASA-N 2 0 281.444 1.834 40 0 CDABRP