smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CC[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096088765 185093536 /nfs/dbraw/zinc/09/35/36/185093536.db2.gz YQBYNXSWQXJTPI-UHFFFAOYSA-N 2 1 260.381 1.684 40 0 CDABMP CCN(CC[NH3+])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393584 356989632 /nfs/dbraw/zinc/98/96/32/356989632.db2.gz XRKLSZQKTYEXMG-MRXNPFEDSA-N 2 1 261.413 1.789 40 0 CDABMP CC[N@@H+](Cc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079415269 356995029 /nfs/dbraw/zinc/99/50/29/356995029.db2.gz OPKQRZQKBLZOCP-UHFFFAOYSA-N 2 1 275.396 1.458 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415415 278224286 /nfs/dbraw/zinc/22/42/86/278224286.db2.gz CUEGXVIPFGXYJP-BPUTZDHNSA-N 2 1 289.423 1.893 40 0 CDABMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236824980 280140554 /nfs/dbraw/zinc/14/05/54/280140554.db2.gz VSTUWQYRYRQWTI-ZDUSSCGKSA-N 2 1 278.400 1.736 40 0 CDABMP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404385 356990975 /nfs/dbraw/zinc/99/09/75/356990975.db2.gz WCCKHYZJOMZFRG-DZGCQCFKSA-N 2 1 275.396 1.362 40 0 CDABMP CC(C)N(C(=O)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404233 390421848 /nfs/dbraw/zinc/42/18/48/390421848.db2.gz NMKRVFOOXZLMGU-OAHLLOKOSA-N 2 1 275.396 1.457 40 0 CDABMP C[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096100352 390912849 /nfs/dbraw/zinc/91/28/49/390912849.db2.gz NXLFMCSINWGIMO-BNOWGMLFSA-N 2 1 250.342 1.431 40 0 CDABMP CC[C@@H]1C[NH2+][C@H](CO)[C@@H]1C[N@@H+](C)CCc1ccccc1 ZINC001772595092 1159312048 /nfs/dbraw/zinc/31/20/48/1159312048.db2.gz WAGXRNZBPGUEDT-BRWVUGGUSA-N 2 1 276.424 1.767 40 0 CDABMP COc1ccc(CN2CCC3(CC2)COCC[N@@H+]3C)cn1 ZINC000096226152 358723375 /nfs/dbraw/zinc/72/33/75/358723375.db2.gz OPCYCZSUSACCGR-UHFFFAOYSA-N 2 1 291.395 1.387 40 0 CDABMP COc1ccc(CN2CCC3(CC2)COCC[N@H+]3C)cn1 ZINC000096226152 358723376 /nfs/dbraw/zinc/72/33/76/358723376.db2.gz OPCYCZSUSACCGR-UHFFFAOYSA-N 2 1 291.395 1.387 40 0 CDABMP Fc1cccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096318510 393176948 /nfs/dbraw/zinc/17/69/48/393176948.db2.gz JRYDBDQNNHRQCL-UHFFFAOYSA-N 2 1 264.344 1.780 40 0 CDABMP Fc1cccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096318510 393176953 /nfs/dbraw/zinc/17/69/53/393176953.db2.gz JRYDBDQNNHRQCL-UHFFFAOYSA-N 2 1 264.344 1.780 40 0 CDABMP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000008377078 170333826 /nfs/dbraw/zinc/33/38/26/170333826.db2.gz RVRFBNZLCSAPRO-UHFFFAOYSA-N 2 1 268.357 1.412 40 0 CDABMP [NH3+]CCN1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414720 356993629 /nfs/dbraw/zinc/99/36/29/356993629.db2.gz HYAIFPQYZDAYLC-MRXNPFEDSA-N 2 1 273.424 1.932 40 0 CDABMP Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+](C)C)n3CC2)o1 ZINC000096196778 358716036 /nfs/dbraw/zinc/71/60/36/358716036.db2.gz UVIZLBSHVLAPGK-UHFFFAOYSA-N 2 1 288.395 1.904 40 0 CDABMP c1csc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096531585 358736848 /nfs/dbraw/zinc/73/68/48/358736848.db2.gz SQSFWABFURHDBA-UHFFFAOYSA-N 2 1 252.383 1.703 40 0 CDABMP Cc1c[nH]nc1[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257268532 190023895 /nfs/dbraw/zinc/02/38/95/190023895.db2.gz MMDFPRSBRSXUEL-ZDUSSCGKSA-N 2 1 262.401 1.992 40 0 CDABMP Cc1c[nH]nc1[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257268532 190023896 /nfs/dbraw/zinc/02/38/96/190023896.db2.gz MMDFPRSBRSXUEL-ZDUSSCGKSA-N 2 1 262.401 1.992 40 0 CDABMP C[N@@H+]1CC[NH2+]C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257285819 190027148 /nfs/dbraw/zinc/02/71/48/190027148.db2.gz PJAAMMXZDQFLAX-CYBMUJFWSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@H+]1CC[NH2+]C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257285819 190027149 /nfs/dbraw/zinc/02/71/49/190027149.db2.gz PJAAMMXZDQFLAX-CYBMUJFWSA-N 2 1 255.365 1.929 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415620 279392530 /nfs/dbraw/zinc/39/25/30/279392530.db2.gz CIASLNONSWAZDC-XJKSGUPXSA-N 2 1 287.407 1.599 40 0 CDABMP C[C@@H]1CCN(C)CC[N@@H+](C)[C@H](C)CCN(C)CC[NH+]1C ZINC000068604989 357651331 /nfs/dbraw/zinc/65/13/31/357651331.db2.gz OMMPWWHFHXHTRC-HZPDHXFCSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CC[NH+](C)CCN(C)[C@H](C)CC[N@H+](C)CCN1C ZINC000068604989 357651335 /nfs/dbraw/zinc/65/13/35/357651335.db2.gz OMMPWWHFHXHTRC-HZPDHXFCSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CC[NH+](C)CCN(C)[C@H](C)CC[N@@H+](C)CCN1C ZINC000068604989 357651337 /nfs/dbraw/zinc/65/13/37/357651337.db2.gz OMMPWWHFHXHTRC-HZPDHXFCSA-N 2 1 284.492 1.284 40 0 CDABMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000236788076 366414089 /nfs/dbraw/zinc/41/40/89/366414089.db2.gz HNITUVLJZPVICJ-UONOGXRCSA-N 2 1 267.417 1.304 40 0 CDABMP COCC[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC000096259417 358728302 /nfs/dbraw/zinc/72/83/02/358728302.db2.gz LGPFZIOHRHWWST-UHFFFAOYSA-N 2 1 292.427 1.767 40 0 CDABMP [NH3+]CCN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393632 390421023 /nfs/dbraw/zinc/42/10/23/390421023.db2.gz DYTJPGVYXYSZBJ-MRXNPFEDSA-N 2 1 259.397 1.684 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000079407738 280271684 /nfs/dbraw/zinc/27/16/84/280271684.db2.gz HSYLAXVJVBRMEE-STQMWFEESA-N 2 1 253.390 1.055 40 0 CDABMP OC[C@@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484359 230381167 /nfs/dbraw/zinc/38/11/67/230381167.db2.gz CTUMWRFFXBTOBG-BRWVUGGUSA-N 2 1 274.408 1.979 40 0 CDABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000096056228 185077769 /nfs/dbraw/zinc/07/77/69/185077769.db2.gz LDYMUYPILOPOMG-CWRNSKLLSA-N 2 1 278.396 1.987 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415222 390421666 /nfs/dbraw/zinc/42/16/66/390421666.db2.gz IVYFRJJQWNLGJP-LSDHHAIUSA-N 2 1 275.396 1.505 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])[C@](C)(CC)[NH+]1CCCCC1 ZINC000072210440 390618566 /nfs/dbraw/zinc/61/85/66/390618566.db2.gz UNZPUEORNMWUBR-OCCSQVGLSA-N 2 1 256.390 1.779 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000242687284 261267709 /nfs/dbraw/zinc/26/77/09/261267709.db2.gz UDUWAYCDQYFANT-OBJOEFQTSA-N 2 1 267.417 1.491 40 0 CDABMP CN(CC[NH3+])C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393569 356989794 /nfs/dbraw/zinc/98/97/94/356989794.db2.gz QELIUXPIXHOTPY-MRXNPFEDSA-N 2 1 261.413 1.789 40 0 CDABMP Cc1c[nH]nc1[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257268531 397607445 /nfs/dbraw/zinc/60/74/45/397607445.db2.gz MMDFPRSBRSXUEL-CYBMUJFWSA-N 2 1 262.401 1.992 40 0 CDABMP Cc1c[nH]nc1[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257268531 397607446 /nfs/dbraw/zinc/60/74/46/397607446.db2.gz MMDFPRSBRSXUEL-CYBMUJFWSA-N 2 1 262.401 1.992 40 0 CDABMP Cc1csc(C[N@H+]2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)n1 ZINC000247974966 293029830 /nfs/dbraw/zinc/02/98/30/293029830.db2.gz IEZYPNPRNLPPHP-JHJVBQTASA-N 2 1 281.425 1.460 40 0 CDABMP Cc1csc(C[N@@H+]2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)n1 ZINC000247974966 293029836 /nfs/dbraw/zinc/02/98/36/293029836.db2.gz IEZYPNPRNLPPHP-JHJVBQTASA-N 2 1 281.425 1.460 40 0 CDABMP COc1cc(OC)c2[nH+]c(C)cc(NCC[NH3+])c2c1 ZINC000222691073 230398284 /nfs/dbraw/zinc/39/82/84/230398284.db2.gz VQVGNMKRHSDVJQ-UHFFFAOYSA-N 2 1 261.325 1.931 40 0 CDABMP C[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216568 390621922 /nfs/dbraw/zinc/62/19/22/390621922.db2.gz ZCJMLWJMUMLCHN-CQSZACIVSA-N 2 1 260.385 1.600 40 0 CDABMP C[NH+](C)CC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000096157347 390913296 /nfs/dbraw/zinc/91/32/96/390913296.db2.gz DPJCOXYAUDKBSN-GXTWGEPZSA-N 2 1 259.353 1.040 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096078529 185089025 /nfs/dbraw/zinc/08/90/25/185089025.db2.gz WBZVGICNINLORA-HZPDHXFCSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096078529 185089026 /nfs/dbraw/zinc/08/90/26/185089026.db2.gz WBZVGICNINLORA-HZPDHXFCSA-N 2 1 294.395 1.449 40 0 CDABMP C[N@@H+](CCO)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393500 356990137 /nfs/dbraw/zinc/99/01/37/356990137.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP C[NH+](CCO)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393500 356990138 /nfs/dbraw/zinc/99/01/38/356990138.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP C[NH+](CCO)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393500 356990139 /nfs/dbraw/zinc/99/01/39/356990139.db2.gz QHAPGQLMSXWGBI-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP CCN(CC[NH3+])C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393580 279186958 /nfs/dbraw/zinc/18/69/58/279186958.db2.gz QPCPCGAAZNDQAF-MRXNPFEDSA-N 2 1 261.413 1.932 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)C(C)C)C1 ZINC000079419582 356995158 /nfs/dbraw/zinc/99/51/58/356995158.db2.gz MCGFLHVDCRXJPS-STQMWFEESA-N 2 1 255.406 1.301 40 0 CDABMP C[C@@]12C[NH2+]C[C@@](C)(C[N@H+](Cc3ccccc3)C1)[C@@H]2O ZINC000217356148 358996299 /nfs/dbraw/zinc/99/62/99/358996299.db2.gz NRTKUYGHEKNAOU-PHZGNYQRSA-N 2 1 260.381 1.479 40 0 CDABMP C[C@@]12C[NH2+]C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)[C@@H]2O ZINC000217356148 358996301 /nfs/dbraw/zinc/99/63/01/358996301.db2.gz NRTKUYGHEKNAOU-PHZGNYQRSA-N 2 1 260.381 1.479 40 0 CDABMP COc1c2c(c([C@H](C)[NH3+])c3c1C[N@@H+](C)CC3)OCO2 ZINC000242548038 391942990 /nfs/dbraw/zinc/94/29/90/391942990.db2.gz KZXTZZCMYAOSHW-QMMMGPOBSA-N 2 1 264.325 1.432 40 0 CDABMP c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2[NH2+]C[C@@H]1CCCO1 ZINC000096062807 185083226 /nfs/dbraw/zinc/08/32/26/185083226.db2.gz ZHPMTRBAPZZNGH-DDWPSWQVSA-N 2 1 258.365 1.813 40 0 CDABMP C[N@@H+](CCO)Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1 ZINC000019586120 356492498 /nfs/dbraw/zinc/49/24/98/356492498.db2.gz QMEZJBNSZKHIAJ-LBPRGKRZSA-N 2 1 288.395 1.454 40 0 CDABMP [NH3+]CC(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393806 356989170 /nfs/dbraw/zinc/98/91/70/356989170.db2.gz NACRROLINSVOBU-OAHLLOKOSA-N 2 1 273.380 1.211 40 0 CDABMP [NH3+]CC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404310 356991539 /nfs/dbraw/zinc/99/15/39/356991539.db2.gz NPGBTYVYFSQFSI-INIZCTEOSA-N 2 1 287.407 1.601 40 0 CDABMP CC[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](C)C2)C1 ZINC000096216661 358721534 /nfs/dbraw/zinc/72/15/34/358721534.db2.gz MJBSZMNVYDMBCK-WBVHZDCISA-N 2 1 289.423 1.872 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245227153 256868056 /nfs/dbraw/zinc/86/80/56/256868056.db2.gz CXABUZLGGVHQRG-MCIONIFRSA-N 2 1 269.433 1.706 40 0 CDABMP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCCC[C@@H]2CCO)C1 ZINC000046087853 423932986 /nfs/dbraw/zinc/93/29/86/423932986.db2.gz MTPYSZIMCYAYGJ-CABCVRRESA-N 2 1 270.417 1.070 40 0 CDABMP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCCC[C@@H]2CCO)C1 ZINC000046087853 423933000 /nfs/dbraw/zinc/93/30/00/423933000.db2.gz MTPYSZIMCYAYGJ-CABCVRRESA-N 2 1 270.417 1.070 40 0 CDABMP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087853 423933014 /nfs/dbraw/zinc/93/30/14/423933014.db2.gz MTPYSZIMCYAYGJ-CABCVRRESA-N 2 1 270.417 1.070 40 0 CDABMP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087853 423933026 /nfs/dbraw/zinc/93/30/26/423933026.db2.gz MTPYSZIMCYAYGJ-CABCVRRESA-N 2 1 270.417 1.070 40 0 CDABMP CNC(=O)C[NH+]1CCC(CN(C)c2cccc(C)[nH+]2)CC1 ZINC000157656386 188330413 /nfs/dbraw/zinc/33/04/13/188330413.db2.gz SAXFXUKKOTZKQS-UHFFFAOYSA-N 2 1 290.411 1.284 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404593 356990728 /nfs/dbraw/zinc/99/07/28/356990728.db2.gz SACBQTCDVLXJFE-HOTGVXAUSA-N 2 1 289.423 1.751 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419654 356994673 /nfs/dbraw/zinc/99/46/73/356994673.db2.gz TUDSHIUJGSBKAG-KGLIPLIRSA-N 2 1 267.417 1.445 40 0 CDABMP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096108241 358708306 /nfs/dbraw/zinc/70/83/06/358708306.db2.gz XPAHZYFEJSHYJJ-CVEARBPZSA-N 2 1 260.381 1.697 40 0 CDABMP O=c1[nH]c([C@@H]2CC[NH2+]C2)nc2c1CC[N@H+](C1CCCC1)C2 ZINC000257335471 374421827 /nfs/dbraw/zinc/42/18/27/374421827.db2.gz YKGNIHMLFPJZHF-LLVKDONJSA-N 2 1 288.395 1.560 40 0 CDABMP C[C@H]1CCCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000225772548 375201648 /nfs/dbraw/zinc/20/16/48/375201648.db2.gz GSWPIKPDAOVEGS-AWEZNQCLSA-N 2 1 267.417 1.273 40 0 CDABMP C[C@H]1CCCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000225772548 375201652 /nfs/dbraw/zinc/20/16/52/375201652.db2.gz GSWPIKPDAOVEGS-AWEZNQCLSA-N 2 1 267.417 1.273 40 0 CDABMP C[NH+]1CCN(c2ncccc2[C@@H]2CCCC[N@H+]2C)CC1 ZINC000072216596 390622245 /nfs/dbraw/zinc/62/22/45/390622245.db2.gz DRDZMYRORBTDAE-HNNXBMFYSA-N 2 1 274.412 1.990 40 0 CDABMP O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000005382563 391512979 /nfs/dbraw/zinc/51/29/79/391512979.db2.gz XKRNTOCNSGQSIM-CABCVRRESA-N 2 1 280.412 1.794 40 0 CDABMP C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC000096048866 290056871 /nfs/dbraw/zinc/05/68/71/290056871.db2.gz QJJXYAWKDDCFQC-MRXNPFEDSA-N 2 1 293.455 1.267 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051915 185074642 /nfs/dbraw/zinc/07/46/42/185074642.db2.gz OEOZLFWSQPTAQX-HOCLYGCPSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051915 185074643 /nfs/dbraw/zinc/07/46/43/185074643.db2.gz OEOZLFWSQPTAQX-HOCLYGCPSA-N 2 1 294.395 1.449 40 0 CDABMP COCC[N@H+]1CC[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096087603 390912686 /nfs/dbraw/zinc/91/26/86/390912686.db2.gz GSHMFAQRINBXTN-INIZCTEOSA-N 2 1 294.395 1.450 40 0 CDABMP COCC[N@@H+](C)C[C@@H]1CCC[C@@H]2C[NH+](CCOC)C[C@@H]21 ZINC000096081904 398070457 /nfs/dbraw/zinc/07/04/57/398070457.db2.gz JXYBFPIKNWDVLB-ARFHVFGLSA-N 2 1 284.444 1.559 40 0 CDABMP COCC[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](CCOC)C[C@@H]21 ZINC000096081904 398070459 /nfs/dbraw/zinc/07/04/59/398070459.db2.gz JXYBFPIKNWDVLB-ARFHVFGLSA-N 2 1 284.444 1.559 40 0 CDABMP COCC[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](CCOC)C[C@@H]21 ZINC000096081904 398070460 /nfs/dbraw/zinc/07/04/60/398070460.db2.gz JXYBFPIKNWDVLB-ARFHVFGLSA-N 2 1 284.444 1.559 40 0 CDABMP CC(C)[N@@H+]1CCCn2nnc(C[NH+]3CCCC3)c2C1 ZINC000096084690 185091889 /nfs/dbraw/zinc/09/18/89/185091889.db2.gz TWPQZTIXRQXRHE-UHFFFAOYSA-N 2 1 263.389 1.488 40 0 CDABMP CC(C)[N@H+]1CCCn2nnc(C[NH+]3CCCC3)c2C1 ZINC000096084690 185091891 /nfs/dbraw/zinc/09/18/91/185091891.db2.gz TWPQZTIXRQXRHE-UHFFFAOYSA-N 2 1 263.389 1.488 40 0 CDABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cccnc2)CC1 ZINC000019288012 356480101 /nfs/dbraw/zinc/48/01/01/356480101.db2.gz YYKHMJAYXXYUGJ-UHFFFAOYSA-N 2 1 286.379 1.614 40 0 CDABMP C[N@@H+](CCO)Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000019586118 356492413 /nfs/dbraw/zinc/49/24/13/356492413.db2.gz QMEZJBNSZKHIAJ-GFCCVEGCSA-N 2 1 288.395 1.454 40 0 CDABMP CC[N@@H+](CCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393509 356989083 /nfs/dbraw/zinc/98/90/83/356989083.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](CCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393509 356989090 /nfs/dbraw/zinc/98/90/90/356989090.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](CCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393509 356989095 /nfs/dbraw/zinc/98/90/95/356989095.db2.gz WFRSMUFCVDJMKR-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH2+]C2)C1CC1 ZINC000306135677 374969781 /nfs/dbraw/zinc/96/97/81/374969781.db2.gz OXNUHKWLCVMNJY-CVEARBPZSA-N 2 1 264.413 1.735 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000230024282 375299879 /nfs/dbraw/zinc/29/98/79/375299879.db2.gz CXABUZLGGVHQRG-IHRRRGAJSA-N 2 1 269.433 1.706 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079414597 285116722 /nfs/dbraw/zinc/11/67/22/285116722.db2.gz IDLVWQTXVFCCKK-INIZCTEOSA-N 2 1 261.413 1.932 40 0 CDABMP Cc1ccc([C@@]2(C)NC(=[NH2+])NC(=[NH2+])N2c2ccccc2)o1 ZINC000054363796 390485522 /nfs/dbraw/zinc/48/55/22/390485522.db2.gz URHNXRBCBRBQQS-HNNXBMFYSA-N 2 1 283.335 1.910 40 0 CDABMP COc1c2c(c(C(C)(C)[NH3+])c3c1C[N@@H+](C)CC3)OCO2 ZINC000252487885 392794938 /nfs/dbraw/zinc/79/49/38/392794938.db2.gz IDHRBSNSIRDQFJ-UHFFFAOYSA-N 2 1 278.352 1.606 40 0 CDABMP COCC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000155465190 351377932 /nfs/dbraw/zinc/37/79/32/351377932.db2.gz POLKLJVGISNMDE-AWEZNQCLSA-N 2 1 298.427 1.230 40 0 CDABMP CC[NH+](CC)CCCNc1nc(C)nc2c1CC[N@H+](C)C2 ZINC000012274898 356293221 /nfs/dbraw/zinc/29/32/21/356293221.db2.gz POGSEYVGLSUXOM-UHFFFAOYSA-N 2 1 291.443 1.917 40 0 CDABMP CC[NH+](CC)CCCNc1nc(C)nc2c1CC[N@@H+](C)C2 ZINC000012274898 356293223 /nfs/dbraw/zinc/29/32/23/356293223.db2.gz POGSEYVGLSUXOM-UHFFFAOYSA-N 2 1 291.443 1.917 40 0 CDABMP c1ccc(C[N@H+]2C[C@@H]3C[NH2+]C4(CCOCC4)[C@@H]3C2)cc1 ZINC000257202049 190010458 /nfs/dbraw/zinc/01/04/58/190010458.db2.gz AKGCSQFTEHYNIJ-JKSUJKDBSA-N 2 1 272.392 1.887 40 0 CDABMP CC[NH+]1CCC([N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331857 190035476 /nfs/dbraw/zinc/03/54/76/190035476.db2.gz XUOQPVZQBYEZEG-CYBMUJFWSA-N 2 1 262.401 1.992 40 0 CDABMP CC[NH+]1CCC([N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331857 190035477 /nfs/dbraw/zinc/03/54/77/190035477.db2.gz XUOQPVZQBYEZEG-CYBMUJFWSA-N 2 1 262.401 1.992 40 0 CDABMP O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH2+]C1 ZINC000247394419 345199608 /nfs/dbraw/zinc/19/96/08/345199608.db2.gz MANDDTJKNPGWKZ-QLFBSQMISA-N 2 1 280.412 1.794 40 0 CDABMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404448 356990792 /nfs/dbraw/zinc/99/07/92/356990792.db2.gz UMNSMOBBLNWFMH-GOEBONIOSA-N 2 1 289.423 1.704 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCN(CC[NH3+])C1 ZINC000079414581 356993514 /nfs/dbraw/zinc/99/35/14/356993514.db2.gz YOJPKTPEYOXWLK-MRXNPFEDSA-N 2 1 261.413 1.789 40 0 CDABMP C[NH+]1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000020220137 171082151 /nfs/dbraw/zinc/08/21/51/171082151.db2.gz RFKSKRJHUPOZDD-UHFFFAOYSA-N 2 1 274.412 1.293 40 0 CDABMP [NH3+]CC(=O)N(C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404289 356991285 /nfs/dbraw/zinc/99/12/85/356991285.db2.gz DTSKFXCOMNUXNM-OAHLLOKOSA-N 2 1 273.380 1.211 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](C)C1CC1 ZINC000079419627 356995346 /nfs/dbraw/zinc/99/53/46/356995346.db2.gz IFJINVRGEKFDBW-OLZOCXBDSA-N 2 1 253.390 1.055 40 0 CDABMP O[C@H]1CC[N@H+]2C[C@@H]3C[C@@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1 ZINC000169657859 365042951 /nfs/dbraw/zinc/04/29/51/365042951.db2.gz MMXKVQSOWVEFOB-YYFQZIEXSA-N 2 1 250.386 1.316 40 0 CDABMP O[C@H]1CC[NH+]2C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC000169657859 365042959 /nfs/dbraw/zinc/04/29/59/365042959.db2.gz MMXKVQSOWVEFOB-YYFQZIEXSA-N 2 1 250.386 1.316 40 0 CDABMP O[C@H]1CC[NH+]2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@H]2C1 ZINC000169657859 365042963 /nfs/dbraw/zinc/04/29/63/365042963.db2.gz MMXKVQSOWVEFOB-YYFQZIEXSA-N 2 1 250.386 1.316 40 0 CDABMP Cn1ccnc1C[N@H+]1CCC[C@@H](CC[NH+](C)C)C1 ZINC000257295388 190028763 /nfs/dbraw/zinc/02/87/63/190028763.db2.gz QYCKYXJXCLPRAI-ZDUSSCGKSA-N 2 1 250.390 1.584 40 0 CDABMP C[N@@H+]1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000257341499 190037352 /nfs/dbraw/zinc/03/73/52/190037352.db2.gz ZKORSGZQGFXWTD-MRXNPFEDSA-N 2 1 287.407 1.501 40 0 CDABMP C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000257341499 190037353 /nfs/dbraw/zinc/03/73/53/190037353.db2.gz ZKORSGZQGFXWTD-MRXNPFEDSA-N 2 1 287.407 1.501 40 0 CDABMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000004969462 170046926 /nfs/dbraw/zinc/04/69/26/170046926.db2.gz XOZMLCMCGJMAGB-ZDUSSCGKSA-N 2 1 255.406 1.319 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCC[N@@H+](C)C1 ZINC000079426690 280271156 /nfs/dbraw/zinc/27/11/56/280271156.db2.gz YAMGVSKORIPUEJ-STQMWFEESA-N 2 1 255.406 1.301 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C2CC2)CC1 ZINC000079419667 280271863 /nfs/dbraw/zinc/27/18/63/280271863.db2.gz BCUVWBJVAOQKLJ-AWEZNQCLSA-N 2 1 267.417 1.303 40 0 CDABMP [NH3+]CC(=O)N1CCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079391038 303365938 /nfs/dbraw/zinc/36/59/38/303365938.db2.gz SZWLTWOMXXCKQS-MRXNPFEDSA-N 2 1 287.407 1.601 40 0 CDABMP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404350 356991526 /nfs/dbraw/zinc/99/15/26/356991526.db2.gz FDAVDUMHZCEFPC-JSGCOSHPSA-N 2 1 261.369 1.114 40 0 CDABMP C(c1nnn2c1C[N@H+](CC1CC1)CCC2)[NH+]1CCCC1 ZINC000096259482 358729044 /nfs/dbraw/zinc/72/90/44/358729044.db2.gz VVRPHLKUVJLOIQ-UHFFFAOYSA-N 2 1 275.400 1.490 40 0 CDABMP C(c1nnn2c1C[N@@H+](CC1CC1)CCC2)[NH+]1CCCC1 ZINC000096259482 358729048 /nfs/dbraw/zinc/72/90/48/358729048.db2.gz VVRPHLKUVJLOIQ-UHFFFAOYSA-N 2 1 275.400 1.490 40 0 CDABMP Fc1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096531562 390541631 /nfs/dbraw/zinc/54/16/31/390541631.db2.gz HKTVYWWASSUVBY-UHFFFAOYSA-N 2 1 264.344 1.780 40 0 CDABMP Fc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096531562 390541635 /nfs/dbraw/zinc/54/16/35/390541635.db2.gz HKTVYWWASSUVBY-UHFFFAOYSA-N 2 1 264.344 1.780 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000072210398 390618515 /nfs/dbraw/zinc/61/85/15/390618515.db2.gz WCHPXRHHCRGIJX-GFCCVEGCSA-N 2 1 254.374 1.533 40 0 CDABMP CCn1cc(C[N@@H+](CC)CC2CC[NH2+]CC2)cn1 ZINC000094025265 391578584 /nfs/dbraw/zinc/57/85/84/391578584.db2.gz JKYLWTUVZDQPAD-UHFFFAOYSA-N 2 1 250.390 1.725 40 0 CDABMP CC[N@@H+]1CC[C@H]([NH+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547565 /nfs/dbraw/zinc/54/75/65/344547565.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 2 1 271.405 1.347 40 0 CDABMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547566 /nfs/dbraw/zinc/54/75/66/344547566.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 2 1 271.405 1.347 40 0 CDABMP CC[NH+]1CC[C@H]([N@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547567 /nfs/dbraw/zinc/54/75/67/344547567.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 2 1 271.405 1.347 40 0 CDABMP CC[NH+]1CC[C@H]([N@@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212520 344547568 /nfs/dbraw/zinc/54/75/68/344547568.db2.gz BKNBIUSEBXQMSH-OLZOCXBDSA-N 2 1 271.405 1.347 40 0 CDABMP c1cncc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019339425 356481290 /nfs/dbraw/zinc/48/12/90/356481290.db2.gz VSDOWXALJROHMY-MRXNPFEDSA-N 2 1 295.390 1.854 40 0 CDABMP c1cncc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019339425 356481293 /nfs/dbraw/zinc/48/12/93/356481293.db2.gz VSDOWXALJROHMY-MRXNPFEDSA-N 2 1 295.390 1.854 40 0 CDABMP OCC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989654 /nfs/dbraw/zinc/98/96/54/356989654.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989657 /nfs/dbraw/zinc/98/96/57/356989657.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989663 /nfs/dbraw/zinc/98/96/63/356989663.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393544 356989666 /nfs/dbraw/zinc/98/96/66/356989666.db2.gz QQLSXSJJYFZYDC-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404611 356991561 /nfs/dbraw/zinc/99/15/61/356991561.db2.gz POTNTNYJJFONTH-CVEARBPZSA-N 2 1 289.423 1.608 40 0 CDABMP CCN(C[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407614 285082594 /nfs/dbraw/zinc/08/25/94/285082594.db2.gz MTTBAEJTBROXAW-OLZOCXBDSA-N 2 1 255.406 1.303 40 0 CDABMP CC(C)N(CC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393605 390421874 /nfs/dbraw/zinc/42/18/74/390421874.db2.gz VGOUQMHKGQKVRP-INIZCTEOSA-N 2 1 261.413 1.930 40 0 CDABMP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCCC[C@@H]2CCO)C1 ZINC000046087851 423932333 /nfs/dbraw/zinc/93/23/33/423932333.db2.gz MTPYSZIMCYAYGJ-HUUCEWRRSA-N 2 1 270.417 1.070 40 0 CDABMP CC[N@H+]1CCC[C@](O)(C[NH+]2CCCC[C@@H]2CCO)C1 ZINC000046087851 423932348 /nfs/dbraw/zinc/93/23/48/423932348.db2.gz MTPYSZIMCYAYGJ-HUUCEWRRSA-N 2 1 270.417 1.070 40 0 CDABMP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087851 423932357 /nfs/dbraw/zinc/93/23/57/423932357.db2.gz MTPYSZIMCYAYGJ-HUUCEWRRSA-N 2 1 270.417 1.070 40 0 CDABMP CC[NH+]1CCC[C@](O)(C[N@H+]2CCCC[C@@H]2CCO)C1 ZINC000046087851 423932374 /nfs/dbraw/zinc/93/23/74/423932374.db2.gz MTPYSZIMCYAYGJ-HUUCEWRRSA-N 2 1 270.417 1.070 40 0 CDABMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH2+]CC2 ZINC000306142928 277250250 /nfs/dbraw/zinc/25/02/50/277250250.db2.gz XOHJNXCGPJQUSA-LBPRGKRZSA-N 2 1 281.425 1.734 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404407 356990770 /nfs/dbraw/zinc/99/07/70/356990770.db2.gz UNAUYYTYCINVCX-ZFWWWQNUSA-N 2 1 275.396 1.314 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404540 356991116 /nfs/dbraw/zinc/99/11/16/356991116.db2.gz FLQIYJMLFSGQTA-XJKSGUPXSA-N 2 1 287.407 1.599 40 0 CDABMP OCCN1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993611 /nfs/dbraw/zinc/99/36/11/356993611.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[N@@H+]1CC[C@@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993613 /nfs/dbraw/zinc/99/36/13/356993613.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[NH+]1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414367 356993618 /nfs/dbraw/zinc/99/36/18/356993618.db2.gz SEASINYHCZQPHH-MRXNPFEDSA-N 2 1 274.408 1.965 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415260 356995227 /nfs/dbraw/zinc/99/52/27/356995227.db2.gz ATQPZMKWHFWLKT-OAHLLOKOSA-N 2 1 275.396 1.458 40 0 CDABMP C[C@@H]1CCN(C)CC[NH+](C)[C@@H](C)CCN(C)CC[N@H+]1C ZINC000068604992 357651362 /nfs/dbraw/zinc/65/13/62/357651362.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CCN(C)CC[N@H+](C)[C@@H](C)CCN(C)CC[NH+]1C ZINC000068604992 357651363 /nfs/dbraw/zinc/65/13/63/357651363.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CCN(C)CC[N@@H+](C)[C@@H](C)CCN(C)CC[NH+]1C ZINC000068604992 357651365 /nfs/dbraw/zinc/65/13/65/357651365.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CC[NH+](C)CCN(C)[C@@H](C)CC[N@H+](C)CCN1C ZINC000068604992 357651367 /nfs/dbraw/zinc/65/13/67/357651367.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CC[NH+](C)CCN(C)[C@@H](C)CC[N@@H+](C)CCN1C ZINC000068604992 357651370 /nfs/dbraw/zinc/65/13/70/357651370.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CC[N@H+](C)CCN(C)[C@@H](C)CC[NH+](C)CCN1C ZINC000068604992 357651372 /nfs/dbraw/zinc/65/13/72/357651372.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@@H]1CC[N@@H+](C)CCN(C)[C@@H](C)CC[NH+](C)CCN1C ZINC000068604992 357651373 /nfs/dbraw/zinc/65/13/73/357651373.db2.gz OMMPWWHFHXHTRC-IYBDPMFKSA-N 2 1 284.492 1.284 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])[C@](C)(CC)[NH+]1CCCCC1 ZINC000072210438 390618451 /nfs/dbraw/zinc/61/84/51/390618451.db2.gz UNZPUEORNMWUBR-JSGCOSHPSA-N 2 1 256.390 1.779 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000072210504 390618664 /nfs/dbraw/zinc/61/86/64/390618664.db2.gz WNDMCPZMRMMPIE-CHWSQXEVSA-N 2 1 256.390 1.635 40 0 CDABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306123040 392105578 /nfs/dbraw/zinc/10/55/78/392105578.db2.gz ADDWRTXHPGGWGV-AWEZNQCLSA-N 2 1 261.369 1.425 40 0 CDABMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168818 188361697 /nfs/dbraw/zinc/36/16/97/188361697.db2.gz WMZPXJDZGQYJMN-OIISXLGYSA-N 2 1 276.424 1.910 40 0 CDABMP C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000081297689 358120570 /nfs/dbraw/zinc/12/05/70/358120570.db2.gz WMIQYRZFOJDKPI-OAHLLOKOSA-N 2 1 298.390 1.830 40 0 CDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccoc1 ZINC000096056471 185077448 /nfs/dbraw/zinc/07/74/48/185077448.db2.gz SEORHUZFGIYJHB-CABCVRRESA-N 2 1 291.395 1.407 40 0 CDABMP C[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000158241233 188364993 /nfs/dbraw/zinc/36/49/93/188364993.db2.gz GNSAWOXWFUBNOK-QGZVFWFLSA-N 2 1 289.423 1.719 40 0 CDABMP C[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000158241233 188364994 /nfs/dbraw/zinc/36/49/94/188364994.db2.gz GNSAWOXWFUBNOK-QGZVFWFLSA-N 2 1 289.423 1.719 40 0 CDABMP C[N@@H+](CCO)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393501 356989700 /nfs/dbraw/zinc/98/97/00/356989700.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP C[NH+](CCO)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393501 356989708 /nfs/dbraw/zinc/98/97/08/356989708.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP C[NH+](CCO)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393501 356989710 /nfs/dbraw/zinc/98/97/10/356989710.db2.gz QHAPGQLMSXWGBI-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404377 356991314 /nfs/dbraw/zinc/99/13/14/356991314.db2.gz ISPWQDMBNXNFRA-DZGCQCFKSA-N 2 1 275.396 1.505 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415300 356995367 /nfs/dbraw/zinc/99/53/67/356995367.db2.gz CEWPVKNRKQDVMT-HOTGVXAUSA-N 2 1 289.423 1.895 40 0 CDABMP CCn1cc(C[N@H+](CC)C[C@H]2CCC[NH2+]C2)cn1 ZINC000096523671 390537828 /nfs/dbraw/zinc/53/78/28/390537828.db2.gz CAENFYOUFCZSIH-ZDUSSCGKSA-N 2 1 250.390 1.725 40 0 CDABMP CCn1cc(C[N@@H+](CC)C[C@H]2CCC[NH2+]C2)cn1 ZINC000096523671 390537831 /nfs/dbraw/zinc/53/78/31/390537831.db2.gz CAENFYOUFCZSIH-ZDUSSCGKSA-N 2 1 250.390 1.725 40 0 CDABMP C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404374 356991065 /nfs/dbraw/zinc/99/10/65/356991065.db2.gz ISPWQDMBNXNFRA-ZFWWWQNUSA-N 2 1 275.396 1.505 40 0 CDABMP C[C@@H]1CC(C)(C)[NH2+]CCNC(C)(C)C[C@H](C)[NH2+]CCN1 ZINC000095101058 296286489 /nfs/dbraw/zinc/28/64/89/296286489.db2.gz OXCGREHPAHBDLU-OKILXGFUSA-N 2 1 284.492 1.473 40 0 CDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2cccs2)[C@@H]2COC[C@H]12 ZINC000096184983 256814734 /nfs/dbraw/zinc/81/47/34/256814734.db2.gz MEYXTQGVSAAUTR-ZNMIVQPWSA-N 2 1 296.436 1.526 40 0 CDABMP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](CCc1ccccc1)C2 ZINC000096108255 185099928 /nfs/dbraw/zinc/09/99/28/185099928.db2.gz SJLLYBWQQUNAOM-SJORKVTESA-N 2 1 274.408 1.739 40 0 CDABMP COc1ccccc1C[N@@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108263 185100076 /nfs/dbraw/zinc/10/00/76/185100076.db2.gz VDWKHEITQGTPBA-WBVHZDCISA-N 2 1 290.407 1.705 40 0 CDABMP COc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1 ZINC000096108263 185100078 /nfs/dbraw/zinc/10/00/78/185100078.db2.gz VDWKHEITQGTPBA-WBVHZDCISA-N 2 1 290.407 1.705 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415387 356995045 /nfs/dbraw/zinc/99/50/45/356995045.db2.gz GQXMBPXAJSCSAO-HOCLYGCPSA-N 2 1 289.423 1.704 40 0 CDABMP C[NH+](C)Cc1cc(CC2([NH2+]C3CCCCC3)COC2)no1 ZINC000067897794 377285541 /nfs/dbraw/zinc/28/55/41/377285541.db2.gz JHEVJZSRMISDIW-UHFFFAOYSA-N 2 1 293.411 1.970 40 0 biogenic,in-vitro CDABMP C[N@H+](Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+] ZINC000079414514 390421329 /nfs/dbraw/zinc/42/13/29/390421329.db2.gz FXFUTWYIESLTGP-MRXNPFEDSA-N 2 1 261.413 1.932 40 0 CDABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@@H]2O1 ZINC000096100360 185097573 /nfs/dbraw/zinc/09/75/73/185097573.db2.gz ZXCGKFLKPFHICG-OAGGEKHMSA-N 2 1 292.427 1.350 40 0 CDABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O1 ZINC000096100360 185097574 /nfs/dbraw/zinc/09/75/74/185097574.db2.gz ZXCGKFLKPFHICG-OAGGEKHMSA-N 2 1 292.427 1.350 40 0 CDABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O1 ZINC000096100360 185097575 /nfs/dbraw/zinc/09/75/75/185097575.db2.gz ZXCGKFLKPFHICG-OAGGEKHMSA-N 2 1 292.427 1.350 40 0 CDABMP O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH2+]C1 ZINC000247394429 342232386 /nfs/dbraw/zinc/23/23/86/342232386.db2.gz MANDDTJKNPGWKZ-SOUVJXGZSA-N 2 1 280.412 1.794 40 0 CDABMP CN1CCC[C@@](O)(C[N@@H+](C)CCc2ccccn2)C1 ZINC000041124034 359685459 /nfs/dbraw/zinc/68/54/59/359685459.db2.gz VAXJVWGDSHVPHS-HNNXBMFYSA-N 2 1 263.385 1.013 40 0 CDABMP C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[NH+]1CCCC1)C2 ZINC000257341009 190036962 /nfs/dbraw/zinc/03/69/62/190036962.db2.gz ZILOBMVAJVTXCT-MPTYRVRUSA-N 2 1 291.439 1.556 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414590 285116695 /nfs/dbraw/zinc/11/66/95/285116695.db2.gz IDLVWQTXVFCCKK-MRXNPFEDSA-N 2 1 261.413 1.932 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000242437534 279240115 /nfs/dbraw/zinc/24/01/15/279240115.db2.gz CEWPVKNRKQDVMT-CVEARBPZSA-N 2 1 289.423 1.895 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000079407688 356991553 /nfs/dbraw/zinc/99/15/53/356991553.db2.gz PQAYVJPHLNGMAE-STQMWFEESA-N 2 1 255.406 1.158 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079415240 356993236 /nfs/dbraw/zinc/99/32/36/356993236.db2.gz NBLGWPXAGZFOOF-HNNXBMFYSA-N 2 1 275.396 1.458 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419651 356994977 /nfs/dbraw/zinc/99/49/77/356994977.db2.gz AHHOULKIHKEEJZ-ZDUSSCGKSA-N 2 1 253.390 1.055 40 0 CDABMP C[NH+](C)Cc1cc(CC2([NH2+]C3CCC3)COC2)no1 ZINC000067897791 377285568 /nfs/dbraw/zinc/28/55/68/377285568.db2.gz VAZRNEXQGMMWLC-UHFFFAOYSA-N 2 1 265.357 1.190 40 0 biogenic,in-vitro CDABMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000079414143 356993599 /nfs/dbraw/zinc/99/35/99/356993599.db2.gz CNHDZXLIJZJLLK-UHFFFAOYSA-N 2 1 262.397 1.823 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415378 356995143 /nfs/dbraw/zinc/99/51/43/356995143.db2.gz HTQJBDSJAJZALQ-HOCLYGCPSA-N 2 1 289.423 1.847 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+]2CCCCC2)CCCC1 ZINC000072210400 390617927 /nfs/dbraw/zinc/61/79/27/390617927.db2.gz CMFGAYWEVGJSQV-CYBMUJFWSA-N 2 1 268.401 1.923 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079415440 279239661 /nfs/dbraw/zinc/23/96/61/279239661.db2.gz DYPWIISJAITNTC-HOCLYGCPSA-N 2 1 289.423 1.847 40 0 CDABMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000156170868 188246766 /nfs/dbraw/zinc/24/67/66/188246766.db2.gz SOKBCLLBRVHMEP-INIZCTEOSA-N 2 1 281.444 1.123 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404398 356990642 /nfs/dbraw/zinc/99/06/42/356990642.db2.gz KHQLSUOAUCYAAW-JSGCOSHPSA-N 2 1 261.369 1.067 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419630 358069836 /nfs/dbraw/zinc/06/98/36/358069836.db2.gz IFJINVRGEKFDBW-STQMWFEESA-N 2 1 253.390 1.055 40 0 CDABMP CC(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000004610569 363245692 /nfs/dbraw/zinc/24/56/92/363245692.db2.gz AANQMDAPDINSQM-ZENOOKHLSA-N 2 1 294.395 1.163 40 0 CDABMP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530866 363456056 /nfs/dbraw/zinc/45/60/56/363456056.db2.gz VOJUROBBYILNPW-YESZJQIVSA-N 2 1 298.471 1.705 40 0 CDABMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530866 363456063 /nfs/dbraw/zinc/45/60/63/363456063.db2.gz VOJUROBBYILNPW-YESZJQIVSA-N 2 1 298.471 1.705 40 0 CDABMP c1ccc(C[N@H+]2C[C@H]3C[NH2+]C4(CCOCC4)[C@H]3C2)cc1 ZINC000257202046 190010894 /nfs/dbraw/zinc/01/08/94/190010894.db2.gz AKGCSQFTEHYNIJ-CVEARBPZSA-N 2 1 272.392 1.887 40 0 CDABMP C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079415164 390421456 /nfs/dbraw/zinc/42/14/56/390421456.db2.gz GEMGMSIYTUDBGY-CQSZACIVSA-N 2 1 261.369 1.068 40 0 CDABMP Cc1cccc(N2CCC([N@H+](C)CCCO)CC2)[nH+]1 ZINC000157590208 136396184 /nfs/dbraw/zinc/39/61/84/136396184.db2.gz XWJGPKSQYFOEPV-UHFFFAOYSA-N 2 1 263.385 1.673 40 0 CDABMP Cc1cccc(N2CCC([N@@H+](C)CCCO)CC2)[nH+]1 ZINC000157590208 136396185 /nfs/dbraw/zinc/39/61/85/136396185.db2.gz XWJGPKSQYFOEPV-UHFFFAOYSA-N 2 1 263.385 1.673 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415357 356995271 /nfs/dbraw/zinc/99/52/71/356995271.db2.gz XFYQWHBVDUWOKS-ZFWWWQNUSA-N 2 1 275.396 1.314 40 0 CDABMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH2+]CC2 ZINC000306128281 285009165 /nfs/dbraw/zinc/00/91/65/285009165.db2.gz GVXWWIGFRLUBFA-OAHLLOKOSA-N 2 1 282.428 1.504 40 0 CDABMP c1cncc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC000096240064 265345981 /nfs/dbraw/zinc/34/59/81/265345981.db2.gz IOGOUWUMOXZMLR-UHFFFAOYSA-N 2 1 261.369 1.284 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)C(C)C ZINC000079419615 280274975 /nfs/dbraw/zinc/27/49/75/280274975.db2.gz SKLYRXLGFFAHCD-MCIONIFRSA-N 2 1 269.433 1.737 40 0 CDABMP C[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2O1 ZINC000096100357 185097646 /nfs/dbraw/zinc/09/76/46/185097646.db2.gz GLWYFOPQKPUYKJ-KFWWJZLASA-N 2 1 261.369 1.233 40 0 CDABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(Br)c1 ZINC000001666578 390140259 /nfs/dbraw/zinc/14/02/59/390140259.db2.gz KOOABGSEBLNWKJ-UHFFFAOYSA-N 2 1 296.172 1.635 40 0 CDABMP COc1cccc2c(N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000032500241 274150125 /nfs/dbraw/zinc/15/01/25/274150125.db2.gz GUKGEUKOTGPFQT-UHFFFAOYSA-N 2 1 257.337 1.961 40 0 CDABMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)o1 ZINC000096083153 185092952 /nfs/dbraw/zinc/09/29/52/185092952.db2.gz CMUZLFGRRJDEFE-YUELXQCFSA-N 2 1 264.369 1.739 40 0 CDABMP CCN(CC[NH3+])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393583 356989224 /nfs/dbraw/zinc/98/92/24/356989224.db2.gz XRKLSZQKTYEXMG-INIZCTEOSA-N 2 1 261.413 1.789 40 0 CDABMP Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)no1 ZINC000096209451 358721213 /nfs/dbraw/zinc/72/12/13/358721213.db2.gz CICLNWGVWSPITI-HUUCEWRRSA-N 2 1 279.384 1.668 40 0 CDABMP Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)no1 ZINC000096209451 358721217 /nfs/dbraw/zinc/72/12/17/358721217.db2.gz CICLNWGVWSPITI-HUUCEWRRSA-N 2 1 279.384 1.668 40 0 CDABMP CCN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407619 285022835 /nfs/dbraw/zinc/02/28/35/285022835.db2.gz GNJXIKOTGSOKCM-OLZOCXBDSA-N 2 1 255.406 1.160 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419646 390421411 /nfs/dbraw/zinc/42/14/11/390421411.db2.gz DIMKJEAXXAXJIF-OLZOCXBDSA-N 2 1 253.390 1.055 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](C)C(C)C ZINC000079419571 356995199 /nfs/dbraw/zinc/99/51/99/356995199.db2.gz ZKNRGUMMEURXAM-OLZOCXBDSA-N 2 1 255.406 1.301 40 0 CDABMP CCC[NH2+]C1(Cc2cc(C[NH+](C)C)on2)COC1 ZINC000067897810 377287060 /nfs/dbraw/zinc/28/70/60/377287060.db2.gz OXJXIVBARFUSEW-UHFFFAOYSA-N 2 1 253.346 1.047 40 0 biogenic,in-vitro CDABMP CCn1ncc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1C ZINC000096523668 256732478 /nfs/dbraw/zinc/73/24/78/256732478.db2.gz CMNZCURHQREAKY-CYBMUJFWSA-N 2 1 250.390 1.643 40 0 CDABMP CCn1ncc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1C ZINC000096523668 256732481 /nfs/dbraw/zinc/73/24/81/256732481.db2.gz CMNZCURHQREAKY-CYBMUJFWSA-N 2 1 250.390 1.643 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000079419599 390421506 /nfs/dbraw/zinc/42/15/06/390421506.db2.gz RKKXNFFAXIAJOX-KBPBESRZSA-N 2 1 269.433 1.549 40 0 CDABMP O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH2+]C1 ZINC000005456203 344864654 /nfs/dbraw/zinc/86/46/54/344864654.db2.gz MANDDTJKNPGWKZ-KKUMJFAQSA-N 2 1 280.412 1.794 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](C)C(C)C)C1 ZINC000079419584 356995299 /nfs/dbraw/zinc/99/52/99/356995299.db2.gz MCGFLHVDCRXJPS-OLZOCXBDSA-N 2 1 255.406 1.301 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000079426707 356996793 /nfs/dbraw/zinc/99/67/93/356996793.db2.gz NFFHSAMMQNQGRC-KGLIPLIRSA-N 2 1 269.433 1.549 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178261 358643306 /nfs/dbraw/zinc/64/33/06/358643306.db2.gz DMSWSUAKELNOBM-IYBDPMFKSA-N 2 1 289.423 1.895 40 0 CDABMP C[NH+](C)Cc1cncc2c1CC[N@H+](C1CCOCC1)C2 ZINC000096189459 358715980 /nfs/dbraw/zinc/71/59/80/358715980.db2.gz JPUOJIHSPDHRGS-UHFFFAOYSA-N 2 1 275.396 1.680 40 0 CDABMP CC[N@H+]1CCC[C@@](O)(CN(C)Cc2ccc(C)o2)C1 ZINC000041124077 359685755 /nfs/dbraw/zinc/68/57/55/359685755.db2.gz OPZUSJLTPNRDMT-OAHLLOKOSA-N 2 1 266.385 1.867 40 0 CDABMP Cc1nn(C)cc1C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000096523712 390537329 /nfs/dbraw/zinc/53/73/29/390537329.db2.gz JKYOZRDYDLWRCY-ZDUSSCGKSA-N 2 1 250.390 1.550 40 0 CDABMP CC[N@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216573 390622299 /nfs/dbraw/zinc/62/22/99/390622299.db2.gz BLNBEPWRWBDJKX-OAHLLOKOSA-N 2 1 274.412 1.990 40 0 CDABMP CC[NH+](CC)Cc1cnc2n1CC[N@@H+]([C@H]1CCOC1)CC2 ZINC000096067883 279138921 /nfs/dbraw/zinc/13/89/21/279138921.db2.gz YDETXXVEMPSNBD-AWEZNQCLSA-N 2 1 292.427 1.372 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC000079419591 356994614 /nfs/dbraw/zinc/99/46/14/356994614.db2.gz LPIIWSPRJOHYND-KGLIPLIRSA-N 2 1 269.433 1.691 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415294 276142559 /nfs/dbraw/zinc/14/25/59/276142559.db2.gz CEWPVKNRKQDVMT-JKSUJKDBSA-N 2 1 289.423 1.895 40 0 CDABMP C[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O1 ZINC000096100356 185098340 /nfs/dbraw/zinc/09/83/40/185098340.db2.gz BSSVWVQCELLZSO-YUELXQCFSA-N 2 1 261.369 1.233 40 0 CDABMP COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](C)CC2 ZINC000585103052 342212674 /nfs/dbraw/zinc/21/26/74/342212674.db2.gz LIJWIPIYIUBQOS-OAHLLOKOSA-N 2 1 289.423 1.872 40 0 CDABMP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000257330362 362587039 /nfs/dbraw/zinc/58/70/39/362587039.db2.gz XOBAEPIRNPEXIE-CYBMUJFWSA-N 2 1 276.384 1.520 40 0 CDABMP Cc1c[nH]c([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000257330362 362587040 /nfs/dbraw/zinc/58/70/40/362587040.db2.gz XOBAEPIRNPEXIE-CYBMUJFWSA-N 2 1 276.384 1.520 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079415243 356993829 /nfs/dbraw/zinc/99/38/29/356993829.db2.gz NBLGWPXAGZFOOF-OAHLLOKOSA-N 2 1 275.396 1.458 40 0 CDABMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH2+]C2)C1CC1 ZINC000306135678 374970293 /nfs/dbraw/zinc/97/02/93/374970293.db2.gz OXNUHKWLCVMNJY-HOTGVXAUSA-N 2 1 264.413 1.735 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC000079419596 390421823 /nfs/dbraw/zinc/42/18/23/390421823.db2.gz RKKXNFFAXIAJOX-KGLIPLIRSA-N 2 1 269.433 1.549 40 0 CDABMP OCCN1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993185 /nfs/dbraw/zinc/99/31/85/356993185.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[N@@H+]1CC[C@H](C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993189 /nfs/dbraw/zinc/99/31/89/356993189.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[NH+]1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414370 356993201 /nfs/dbraw/zinc/99/32/01/356993201.db2.gz SEASINYHCZQPHH-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP COc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000096531572 390541648 /nfs/dbraw/zinc/54/16/48/390541648.db2.gz WYDYLQCSMMRNEF-UHFFFAOYSA-N 2 1 276.380 1.650 40 0 CDABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000004969452 170046789 /nfs/dbraw/zinc/04/67/89/170046789.db2.gz IEBYOGRTJXACPT-CQSZACIVSA-N 2 1 269.433 1.709 40 0 CDABMP C[N@H+](Cc1ccccc1)CC1CCN(CC[NH3+])CC1 ZINC000079414546 356993440 /nfs/dbraw/zinc/99/34/40/356993440.db2.gz KEJOSBVESHCZPS-UHFFFAOYSA-N 2 1 261.413 1.789 40 0 CDABMP C[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216567 390622231 /nfs/dbraw/zinc/62/22/31/390622231.db2.gz ZCJMLWJMUMLCHN-AWEZNQCLSA-N 2 1 260.385 1.600 40 0 CDABMP CC(C)[NH2+]C[C@@H](O)C[NH2+][C@H](C)[C@@H]1COc2ccccc2O1 ZINC000004610571 390966844 /nfs/dbraw/zinc/96/68/44/390966844.db2.gz AANQMDAPDINSQM-IOASZLSFSA-N 2 1 294.395 1.163 40 0 CDABMP COc1c2c(c([C@@H](C)[NH3+])c3c1C[N@@H+](C)CC3)OCO2 ZINC000242548037 391942781 /nfs/dbraw/zinc/94/27/81/391942781.db2.gz KZXTZZCMYAOSHW-MRVPVSSYSA-N 2 1 264.325 1.432 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000100177603 358642987 /nfs/dbraw/zinc/64/29/87/358642987.db2.gz AVBMFYNMCVGMCZ-CWRNSKLLSA-N 2 1 289.423 1.893 40 0 CDABMP CCOC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884207 361661709 /nfs/dbraw/zinc/66/17/09/361661709.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 2 1 280.412 1.888 40 0 CDABMP CCOC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884207 361661716 /nfs/dbraw/zinc/66/17/16/361661716.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 2 1 280.412 1.888 40 0 CDABMP CCOC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884207 361661721 /nfs/dbraw/zinc/66/17/21/361661721.db2.gz ADKWJLPWNCWVKV-HIFRSBDPSA-N 2 1 280.412 1.888 40 0 CDABMP c1ccc(C[N@H+]2C[C@H]3C[NH2+]C4(CCOCC4)[C@@H]3C2)cc1 ZINC000257202048 190010961 /nfs/dbraw/zinc/01/09/61/190010961.db2.gz AKGCSQFTEHYNIJ-HZPDHXFCSA-N 2 1 272.392 1.887 40 0 CDABMP C[NH+]1CCN([C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC000096048867 390912464 /nfs/dbraw/zinc/91/24/64/390912464.db2.gz QJJXYAWKDDCFQC-INIZCTEOSA-N 2 1 293.455 1.267 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000079426710 280271774 /nfs/dbraw/zinc/27/17/74/280271774.db2.gz NFFHSAMMQNQGRC-KBPBESRZSA-N 2 1 269.433 1.549 40 0 CDABMP c1cncc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019339429 356480430 /nfs/dbraw/zinc/48/04/30/356480430.db2.gz VSDOWXALJROHMY-INIZCTEOSA-N 2 1 295.390 1.854 40 0 CDABMP c1cncc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019339429 356480436 /nfs/dbraw/zinc/48/04/36/356480436.db2.gz VSDOWXALJROHMY-INIZCTEOSA-N 2 1 295.390 1.854 40 0 CDABMP OCC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990067 /nfs/dbraw/zinc/99/00/67/356990067.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990071 /nfs/dbraw/zinc/99/00/71/356990071.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990075 /nfs/dbraw/zinc/99/00/75/356990075.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP OCC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393543 356990078 /nfs/dbraw/zinc/99/00/78/356990078.db2.gz QQLSXSJJYFZYDC-INIZCTEOSA-N 2 1 274.408 1.965 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415513 356995508 /nfs/dbraw/zinc/99/55/08/356995508.db2.gz DKEAUQXYWFHRRV-GOEBONIOSA-N 2 1 289.423 1.845 40 0 CDABMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC000096260817 358729550 /nfs/dbraw/zinc/72/95/50/358729550.db2.gz BXZXWXLUHUGMMP-UHFFFAOYSA-N 2 1 267.417 1.271 40 0 CDABMP CCc1[nH+]ccn1CC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257297823 190029150 /nfs/dbraw/zinc/02/91/50/190029150.db2.gz RIXVAVQLPKRECT-UONOGXRCSA-N 2 1 290.411 1.436 40 0 CDABMP O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000253494412 342429910 /nfs/dbraw/zinc/42/99/10/342429910.db2.gz XKRNTOCNSGQSIM-LSDHHAIUSA-N 2 1 280.412 1.794 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404426 356991241 /nfs/dbraw/zinc/99/12/41/356991241.db2.gz ACSZSSLFXHXYAJ-GOEBONIOSA-N 2 1 289.423 1.847 40 0 CDABMP CCOC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134884185 361661363 /nfs/dbraw/zinc/66/13/63/361661363.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 2 1 280.412 1.888 40 0 CDABMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884185 361661371 /nfs/dbraw/zinc/66/13/71/361661371.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 2 1 280.412 1.888 40 0 CDABMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884185 361661382 /nfs/dbraw/zinc/66/13/82/361661382.db2.gz ADKWJLPWNCWVKV-UKRRQHHQSA-N 2 1 280.412 1.888 40 0 CDABMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C[NH2+]C34CCOCC4)C2)cc1 ZINC000257202047 190010820 /nfs/dbraw/zinc/01/08/20/190010820.db2.gz AKGCSQFTEHYNIJ-HOTGVXAUSA-N 2 1 272.392 1.887 40 0 CDABMP CC(C)N(C(=O)C[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404258 390421770 /nfs/dbraw/zinc/42/17/70/390421770.db2.gz MSXANNZUDCQRGW-INIZCTEOSA-N 2 1 289.423 1.847 40 0 CDABMP C[N@@H+](Cc1ccccc1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079415220 356993144 /nfs/dbraw/zinc/99/31/44/356993144.db2.gz NRVJIGPEPQOZII-UHFFFAOYSA-N 2 1 275.396 1.505 40 0 CDABMP C[N@H+]1CCC[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000081297685 358120536 /nfs/dbraw/zinc/12/05/36/358120536.db2.gz WMIQYRZFOJDKPI-HNNXBMFYSA-N 2 1 298.390 1.830 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])C1([NH+]2CCOCC2)CCCCC1 ZINC000072210455 390618525 /nfs/dbraw/zinc/61/85/25/390618525.db2.gz YQBNSPSAINKCNI-ZDUSSCGKSA-N 2 1 284.400 1.160 40 0 CDABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](CC3CC3)C[C@@H]2O1 ZINC000096056662 390912401 /nfs/dbraw/zinc/91/24/01/390912401.db2.gz QNDFUQTYYXSBAD-KFWWJZLASA-N 2 1 252.402 1.826 40 0 CDABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O1 ZINC000096056662 390912402 /nfs/dbraw/zinc/91/24/02/390912402.db2.gz QNDFUQTYYXSBAD-KFWWJZLASA-N 2 1 252.402 1.826 40 0 CDABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2O1 ZINC000096056662 390912403 /nfs/dbraw/zinc/91/24/03/390912403.db2.gz QNDFUQTYYXSBAD-KFWWJZLASA-N 2 1 252.402 1.826 40 0 CDABMP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1[nH+]ccn1C ZINC000096081924 185090875 /nfs/dbraw/zinc/09/08/75/185090875.db2.gz DMUYXOFAMKQXTI-LXTVHRRPSA-N 2 1 292.427 1.561 40 0 CDABMP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404440 356991531 /nfs/dbraw/zinc/99/15/31/356991531.db2.gz YTKGBOYCSMWFEA-ZFWWWQNUSA-N 2 1 275.396 1.457 40 0 CDABMP CCN1CCC[N@@H+](C)CCN(C)CCC[NH+](CC)CC1 ZINC000034743437 356818921 /nfs/dbraw/zinc/81/89/21/356818921.db2.gz VCLFGLKCBWDOJQ-UHFFFAOYSA-N 2 1 284.492 1.288 40 0 CDABMP CCN1CCC[NH+](C)CCN(C)CCC[N@H+](CC)CC1 ZINC000034743437 356818925 /nfs/dbraw/zinc/81/89/25/356818925.db2.gz VCLFGLKCBWDOJQ-UHFFFAOYSA-N 2 1 284.492 1.288 40 0 CDABMP CCN1CCC[NH+](C)CCN(C)CCC[N@@H+](CC)CC1 ZINC000034743437 356818927 /nfs/dbraw/zinc/81/89/27/356818927.db2.gz VCLFGLKCBWDOJQ-UHFFFAOYSA-N 2 1 284.492 1.288 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000079415393 356994783 /nfs/dbraw/zinc/99/47/83/356994783.db2.gz JOOJYLKRGFGZJI-AWEZNQCLSA-N 2 1 289.423 1.704 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415468 356995245 /nfs/dbraw/zinc/99/52/45/356995245.db2.gz PVIIIXQVYWHOCM-HOCLYGCPSA-N 2 1 289.423 1.847 40 0 CDABMP [NH3+]CCCN1CC[N@@H+](Cc2ccccc2)CCC1=O ZINC000072398102 357832959 /nfs/dbraw/zinc/83/29/59/357832959.db2.gz HHMYGCZDAYDUNI-UHFFFAOYSA-N 2 1 261.369 1.070 40 0 CDABMP C[NH+](C)[C@@H]1COC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000096185720 358714189 /nfs/dbraw/zinc/71/41/89/358714189.db2.gz UHKAYCGIZRZTQR-HRCADAONSA-N 2 1 260.381 1.695 40 0 CDABMP C[NH+](C)[C@@H]1COC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000096185720 358714190 /nfs/dbraw/zinc/71/41/90/358714190.db2.gz UHKAYCGIZRZTQR-HRCADAONSA-N 2 1 260.381 1.695 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079415608 279392449 /nfs/dbraw/zinc/39/24/49/279392449.db2.gz CIASLNONSWAZDC-BBRMVZONSA-N 2 1 287.407 1.599 40 0 CDABMP C[NH+]1CCC([NH2+][C@H]2COC[C@@H]2c2ccc(F)cc2)CC1 ZINC000019588190 356492534 /nfs/dbraw/zinc/49/25/34/356492534.db2.gz ZLZXDWNURRFLGU-CVEARBPZSA-N 2 1 278.371 1.992 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@@H+](C)C2CC2)CC1 ZINC000079419672 356994859 /nfs/dbraw/zinc/99/48/59/356994859.db2.gz UDUWAYCDQYFANT-YIZWMMSDSA-N 2 1 267.417 1.491 40 0 CDABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)C[NH3+] ZINC000079424351 356996698 /nfs/dbraw/zinc/99/66/98/356996698.db2.gz ITJOLDJGJYZJFD-MRXNPFEDSA-N 2 1 289.423 1.847 40 0 CDABMP [NH3+]CCN1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414711 358070068 /nfs/dbraw/zinc/07/00/68/358070068.db2.gz AMWDPMTZSPEQQU-INIZCTEOSA-N 2 1 259.397 1.684 40 0 CDABMP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cs1 ZINC000096249695 358726807 /nfs/dbraw/zinc/72/68/07/358726807.db2.gz SUPDXANKSHKQBZ-DGCLKSJQSA-N 2 1 267.398 1.262 40 0 CDABMP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cs1 ZINC000096249695 358726809 /nfs/dbraw/zinc/72/68/09/358726809.db2.gz SUPDXANKSHKQBZ-DGCLKSJQSA-N 2 1 267.398 1.262 40 0 CDABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306130471 374968287 /nfs/dbraw/zinc/96/82/87/374968287.db2.gz JHKGJFIQZQPKEW-GFCCVEGCSA-N 2 1 250.342 1.623 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC000079419593 390421787 /nfs/dbraw/zinc/42/17/87/390421787.db2.gz LPIIWSPRJOHYND-KBPBESRZSA-N 2 1 269.433 1.691 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404428 356990610 /nfs/dbraw/zinc/99/06/10/356990610.db2.gz LCVCIUWYMTZNGL-HOCLYGCPSA-N 2 1 289.423 1.704 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404432 356991363 /nfs/dbraw/zinc/99/13/63/356991363.db2.gz LCVCIUWYMTZNGL-GOEBONIOSA-N 2 1 289.423 1.704 40 0 CDABMP [NH3+]CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393637 356989216 /nfs/dbraw/zinc/98/92/16/356989216.db2.gz NQTLGKMIWNCZHI-MRXNPFEDSA-N 2 1 273.424 1.932 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415361 356994497 /nfs/dbraw/zinc/99/44/97/356994497.db2.gz DTZIWVGVIOYQRB-ZFWWWQNUSA-N 2 1 275.396 1.457 40 0 CDABMP c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@@H]2[NH2+]C[C@@H]1CCCO1 ZINC000096062806 358707550 /nfs/dbraw/zinc/70/75/50/358707550.db2.gz ZHPMTRBAPZZNGH-VCOSZWKGSA-N 2 1 258.365 1.813 40 0 CDABMP COc1ccccc1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531570 390541687 /nfs/dbraw/zinc/54/16/87/390541687.db2.gz KECRAIXCGLDNLX-UHFFFAOYSA-N 2 1 276.380 1.650 40 0 CDABMP COc1ccccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531570 390541689 /nfs/dbraw/zinc/54/16/89/390541689.db2.gz KECRAIXCGLDNLX-UHFFFAOYSA-N 2 1 276.380 1.650 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051916 185074207 /nfs/dbraw/zinc/07/42/07/185074207.db2.gz OEOZLFWSQPTAQX-ZBFHGGJFSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051916 185074208 /nfs/dbraw/zinc/07/42/08/185074208.db2.gz OEOZLFWSQPTAQX-ZBFHGGJFSA-N 2 1 294.395 1.449 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414635 356993275 /nfs/dbraw/zinc/99/32/75/356993275.db2.gz OJAFGUFLTDSKFF-INIZCTEOSA-N 2 1 261.413 1.930 40 0 CDABMP [NH3+]CCN1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414727 356993797 /nfs/dbraw/zinc/99/37/97/356993797.db2.gz HYAIFPQYZDAYLC-INIZCTEOSA-N 2 1 273.424 1.932 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424358 356996171 /nfs/dbraw/zinc/99/61/71/356996171.db2.gz QMJDPZMDTXDMJT-INIZCTEOSA-N 2 1 289.423 1.847 40 0 CDABMP CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)C[NH3+] ZINC000079404188 358068977 /nfs/dbraw/zinc/06/89/77/358068977.db2.gz ZQGIHLJCGMEUGZ-OAHLLOKOSA-N 2 1 275.396 1.458 40 0 CDABMP c1cn2c(n1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124247 374967629 /nfs/dbraw/zinc/96/76/29/374967629.db2.gz BKLCJVNESLNMKC-ZIAGYGMSSA-N 2 1 254.337 1.582 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419674 280274776 /nfs/dbraw/zinc/27/47/76/280274776.db2.gz KADWGGGIEDKWBM-RDBSUJKOSA-N 2 1 267.417 1.491 40 0 CDABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH2+]CC2 ZINC000585102660 342212573 /nfs/dbraw/zinc/21/25/73/342212573.db2.gz AFZSCHZHIBOZPQ-CYBMUJFWSA-N 2 1 264.369 1.728 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415368 356994907 /nfs/dbraw/zinc/99/49/07/356994907.db2.gz DTZIWVGVIOYQRB-DZGCQCFKSA-N 2 1 275.396 1.457 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)C(C)C ZINC000079419609 356995736 /nfs/dbraw/zinc/99/57/36/356995736.db2.gz SKLYRXLGFFAHCD-RDBSUJKOSA-N 2 1 269.433 1.737 40 0 CDABMP C[N@H+]1CCCSCCSCCCN(CC[NH3+])CC1 ZINC000068604366 357651874 /nfs/dbraw/zinc/65/18/74/357651874.db2.gz BCTAYSPMRGUONE-UHFFFAOYSA-N 2 1 291.530 1.439 40 0 CDABMP COC[C@H]1C[N@@H+](C)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096216611 358720960 /nfs/dbraw/zinc/72/09/60/358720960.db2.gz ZHPUHQNIQFFSMU-NVXWUHKLSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096216611 358720966 /nfs/dbraw/zinc/72/09/66/358720966.db2.gz ZHPUHQNIQFFSMU-NVXWUHKLSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096216611 358720971 /nfs/dbraw/zinc/72/09/71/358720971.db2.gz ZHPUHQNIQFFSMU-NVXWUHKLSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096216611 358720977 /nfs/dbraw/zinc/72/09/77/358720977.db2.gz ZHPUHQNIQFFSMU-NVXWUHKLSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096216611 358720982 /nfs/dbraw/zinc/72/09/82/358720982.db2.gz ZHPUHQNIQFFSMU-NVXWUHKLSA-N 2 1 289.423 1.790 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000026439579 296122357 /nfs/dbraw/zinc/12/23/57/296122357.db2.gz KXJXPBGNJQXIQU-MGPQQGTHSA-N 2 1 269.433 1.421 40 0 CDABMP Cc1ccc(C[N@@H+]2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)o1 ZINC000306129794 374968552 /nfs/dbraw/zinc/96/85/52/374968552.db2.gz INCAULLNBVFCDO-NWANDNLSSA-N 2 1 264.369 1.596 40 0 CDABMP CC[NH+](CC)CCC[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000026439623 279099595 /nfs/dbraw/zinc/09/95/95/279099595.db2.gz OHFLNMVGCPHDNF-AWEZNQCLSA-N 2 1 269.433 1.709 40 0 CDABMP [NH3+]CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079393636 356990150 /nfs/dbraw/zinc/99/01/50/356990150.db2.gz NQTLGKMIWNCZHI-INIZCTEOSA-N 2 1 273.424 1.932 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407756 356991458 /nfs/dbraw/zinc/99/14/58/356991458.db2.gz HFXAYLSFHRGMQL-JSGCOSHPSA-N 2 1 267.417 1.303 40 0 CDABMP Cc1[nH+]ccn1CCNc1cnc(C2CC[NH2+]CC2)cn1 ZINC000072365339 176380506 /nfs/dbraw/zinc/38/05/06/176380506.db2.gz RCQLQSCMPIEZCC-UHFFFAOYSA-N 2 1 286.383 1.561 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415328 278223985 /nfs/dbraw/zinc/22/39/85/278223985.db2.gz LDCVQMDQPKOYFP-JSGCOSHPSA-N 2 1 261.369 1.067 40 0 CDABMP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH2+]C2 ZINC000104964110 186035948 /nfs/dbraw/zinc/03/59/48/186035948.db2.gz HALLHIOFQBPPHE-UHFFFAOYSA-N 2 1 257.337 1.952 40 0 CDABMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH2+]C2 ZINC000104964110 186035949 /nfs/dbraw/zinc/03/59/49/186035949.db2.gz HALLHIOFQBPPHE-UHFFFAOYSA-N 2 1 257.337 1.952 40 0 CDABMP COc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](C)CCO[C@@H]2C1 ZINC000096249551 358726195 /nfs/dbraw/zinc/72/61/95/358726195.db2.gz XXZNHVDHLQGCLA-UKRRQHHQSA-N 2 1 291.395 1.243 40 0 CDABMP COc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](C)CCO[C@@H]2C1 ZINC000096249551 358726198 /nfs/dbraw/zinc/72/61/98/358726198.db2.gz XXZNHVDHLQGCLA-UKRRQHHQSA-N 2 1 291.395 1.243 40 0 CDABMP COc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](C)CCO[C@@H]2C1 ZINC000096249551 358726202 /nfs/dbraw/zinc/72/62/02/358726202.db2.gz XXZNHVDHLQGCLA-UKRRQHHQSA-N 2 1 291.395 1.243 40 0 CDABMP COc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](C)CCO[C@@H]2C1 ZINC000096249551 358726207 /nfs/dbraw/zinc/72/62/07/358726207.db2.gz XXZNHVDHLQGCLA-UKRRQHHQSA-N 2 1 291.395 1.243 40 0 CDABMP CCn1cc(C[N@H+](CC)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000096523670 390537343 /nfs/dbraw/zinc/53/73/43/390537343.db2.gz CAENFYOUFCZSIH-CYBMUJFWSA-N 2 1 250.390 1.725 40 0 CDABMP CCn1cc(C[N@@H+](CC)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000096523670 390537344 /nfs/dbraw/zinc/53/73/44/390537344.db2.gz CAENFYOUFCZSIH-CYBMUJFWSA-N 2 1 250.390 1.725 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101674799 342558283 /nfs/dbraw/zinc/55/82/83/342558283.db2.gz IVYFRJJQWNLGJP-HUUCEWRRSA-N 2 1 275.396 1.505 40 0 CDABMP CC(C)N1C[C@]2(CCC[N@@H+](Cc3cncn3C)C2)C1=O ZINC000585099524 342212189 /nfs/dbraw/zinc/21/21/89/342212189.db2.gz PQZOLVJMTZFORI-OAHLLOKOSA-N 2 1 276.384 1.253 40 0 CDABMP CC(C)N1C[C@]2(CCCN(Cc3cncn3C)C2)C1=O ZINC000585099524 342212190 /nfs/dbraw/zinc/21/21/90/342212190.db2.gz PQZOLVJMTZFORI-OAHLLOKOSA-N 2 1 276.384 1.253 40 0 CDABMP CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](CCO)C1 ZINC000079414196 356993522 /nfs/dbraw/zinc/99/35/22/356993522.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](CCO)C1 ZINC000079414196 356993524 /nfs/dbraw/zinc/99/35/24/356993524.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](CCO)C1 ZINC000079414196 356993527 /nfs/dbraw/zinc/99/35/27/356993527.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](CCO)C1 ZINC000079414196 356993528 /nfs/dbraw/zinc/99/35/28/356993528.db2.gz BJKGRXLGDNZUTM-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000072210503 390618107 /nfs/dbraw/zinc/61/81/07/390618107.db2.gz WNDMCPZMRMMPIE-QWHCGFSZSA-N 2 1 256.390 1.635 40 0 CDABMP NC(=O)[C@H]1CCCN(c2cc[nH+]c(C3CC[NH2+]CC3)c2)C1 ZINC000257335442 362587126 /nfs/dbraw/zinc/58/71/26/362587126.db2.gz YKEGPWRHZLCWOT-ZDUSSCGKSA-N 2 1 288.395 1.250 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000026439576 296122271 /nfs/dbraw/zinc/12/22/71/296122271.db2.gz CXABUZLGGVHQRG-MELADBBJSA-N 2 1 269.433 1.706 40 0 CDABMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CC1)C2 ZINC000096061790 185083456 /nfs/dbraw/zinc/08/34/56/185083456.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 2 1 262.401 1.949 40 0 CDABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CC1)C2 ZINC000096061790 185083458 /nfs/dbraw/zinc/08/34/58/185083458.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 2 1 262.401 1.949 40 0 CDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CC1)C2 ZINC000096061790 185083459 /nfs/dbraw/zinc/08/34/59/185083459.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 2 1 262.401 1.949 40 0 CDABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CC1)C2 ZINC000096061790 185083461 /nfs/dbraw/zinc/08/34/61/185083461.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 2 1 262.401 1.949 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404616 356990479 /nfs/dbraw/zinc/99/04/79/356990479.db2.gz ZHIKMZFDHZAZOP-CVEARBPZSA-N 2 1 289.423 1.751 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404422 356990691 /nfs/dbraw/zinc/99/06/91/356990691.db2.gz ACSZSSLFXHXYAJ-HOCLYGCPSA-N 2 1 289.423 1.847 40 0 CDABMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[NH3+] ZINC000079404457 356990753 /nfs/dbraw/zinc/99/07/53/356990753.db2.gz UMNSMOBBLNWFMH-HOCLYGCPSA-N 2 1 289.423 1.704 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404619 356991039 /nfs/dbraw/zinc/99/10/39/356991039.db2.gz ZHIKMZFDHZAZOP-HOTGVXAUSA-N 2 1 289.423 1.751 40 0 CDABMP CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404445 356991489 /nfs/dbraw/zinc/99/14/89/356991489.db2.gz BNANVLOATIXYEH-GOEBONIOSA-N 2 1 289.423 1.847 40 0 CDABMP [NH3+]CCN1CC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079414705 356993701 /nfs/dbraw/zinc/99/37/01/356993701.db2.gz AMWDPMTZSPEQQU-MRXNPFEDSA-N 2 1 259.397 1.684 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000079419588 356995580 /nfs/dbraw/zinc/99/55/80/356995580.db2.gz AZIOBCCNGZCONM-ZDUSSCGKSA-N 2 1 255.406 1.301 40 0 CDABMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1=O ZINC000096244960 358724815 /nfs/dbraw/zinc/72/48/15/358724815.db2.gz OXCHXDUTNLUEKY-JSGCOSHPSA-N 2 1 293.436 1.200 40 0 CDABMP CS(=O)(=O)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000217927777 375761890 /nfs/dbraw/zinc/76/18/90/375761890.db2.gz JXECSFFDRDRATE-UHFFFAOYSA-N 2 1 282.409 1.025 40 0 CDABMP CCn1cc(C[N@@H+](C)CC2CC[NH2+]CC2)c(C)n1 ZINC000096523717 390537574 /nfs/dbraw/zinc/53/75/74/390537574.db2.gz JIRQHKHOSMSMND-UHFFFAOYSA-N 2 1 250.390 1.643 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415284 356995060 /nfs/dbraw/zinc/99/50/60/356995060.db2.gz YBYCDZHSBRPVFW-MRXNPFEDSA-N 2 1 289.423 1.706 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415265 356995533 /nfs/dbraw/zinc/99/55/33/356995533.db2.gz ATQPZMKWHFWLKT-HNNXBMFYSA-N 2 1 275.396 1.458 40 0 CDABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH2+]CC2 ZINC000096220505 358722941 /nfs/dbraw/zinc/72/29/41/358722941.db2.gz UOWRBZQEVDGVEY-HNNXBMFYSA-N 2 1 275.396 1.672 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419658 390420974 /nfs/dbraw/zinc/42/09/74/390420974.db2.gz DESYOLJQOWRHMA-OCCSQVGLSA-N 2 1 267.417 1.303 40 0 CDABMP Cc1nn(C)cc1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000096523709 390537719 /nfs/dbraw/zinc/53/77/19/390537719.db2.gz FKOAWUQHOFZTPF-UHFFFAOYSA-N 2 1 250.390 1.550 40 0 CDABMP C(C1CC1)[NH+]1CCC2(CC1)COCC[N@@H+]2CC1CC1 ZINC000096048920 185072334 /nfs/dbraw/zinc/07/23/34/185072334.db2.gz QTACBOBWQBUVDJ-UHFFFAOYSA-N 2 1 264.413 1.973 40 0 CDABMP C(C1CC1)[NH+]1CCC2(CC1)COCC[N@H+]2CC1CC1 ZINC000096048920 185072335 /nfs/dbraw/zinc/07/23/35/185072335.db2.gz QTACBOBWQBUVDJ-UHFFFAOYSA-N 2 1 264.413 1.973 40 0 CDABMP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2CNc1[nH+]ccn1C ZINC000096081923 185090887 /nfs/dbraw/zinc/09/08/87/185090887.db2.gz DMUYXOFAMKQXTI-BYNSBNAKSA-N 2 1 292.427 1.561 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415277 356994760 /nfs/dbraw/zinc/99/47/60/356994760.db2.gz YBYCDZHSBRPVFW-INIZCTEOSA-N 2 1 289.423 1.706 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079424354 356996281 /nfs/dbraw/zinc/99/62/81/356996281.db2.gz QMJDPZMDTXDMJT-MRXNPFEDSA-N 2 1 289.423 1.847 40 0 CDABMP OC1CCN(c2cccc(C[C@@H]3CCC[NH2+]CC3)[nH+]2)CC1 ZINC000072364930 357830888 /nfs/dbraw/zinc/83/08/88/357830888.db2.gz QFCAUZUYVIVZIN-CQSZACIVSA-N 2 1 289.423 1.975 40 0 CDABMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCC[NH+](C)C2)C1 ZINC000260559687 366412605 /nfs/dbraw/zinc/41/26/05/366412605.db2.gz SFSMMQCVGZEYTF-XHSDSOJGSA-N 2 1 295.471 1.812 40 0 CDABMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@H+](C)C2)C1 ZINC000260559687 366412609 /nfs/dbraw/zinc/41/26/09/366412609.db2.gz SFSMMQCVGZEYTF-XHSDSOJGSA-N 2 1 295.471 1.812 40 0 CDABMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)C1 ZINC000260559687 366412613 /nfs/dbraw/zinc/41/26/13/366412613.db2.gz SFSMMQCVGZEYTF-XHSDSOJGSA-N 2 1 295.471 1.812 40 0 CDABMP CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2 ZINC000257288479 190026735 /nfs/dbraw/zinc/02/67/35/190026735.db2.gz PUISHZVIYUKBBV-BZUAXINKSA-N 2 1 273.380 1.158 40 0 CDABMP CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2 ZINC000257288479 190026736 /nfs/dbraw/zinc/02/67/36/190026736.db2.gz PUISHZVIYUKBBV-BZUAXINKSA-N 2 1 273.380 1.158 40 0 CDABMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[C@@]2(C[NH2+]CCOC2)O1 ZINC000248007219 362143872 /nfs/dbraw/zinc/14/38/72/362143872.db2.gz ATCPTTQXVGVUEM-HOTGVXAUSA-N 2 1 291.395 1.051 40 0 CDABMP C[N@H+]1CC[C@@H]2O[C@H](COCC3CC[NH+](C)CC3)CC[C@@H]21 ZINC000096186109 358714378 /nfs/dbraw/zinc/71/43/78/358714378.db2.gz FJOVNAVYMZEDGW-JYJNAYRXSA-N 2 1 282.428 1.597 40 0 CDABMP Cc1[nH+]ccn1-c1nccnc1CC1CC[NH2+]CC1 ZINC000257250053 190020178 /nfs/dbraw/zinc/02/01/78/190020178.db2.gz JKVHGLQFWSMTGS-UHFFFAOYSA-N 2 1 257.341 1.513 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415706 390421626 /nfs/dbraw/zinc/42/16/26/390421626.db2.gz QIADQKRZMNJGAG-CVEARBPZSA-N 2 1 289.423 1.703 40 0 CDABMP Fc1ccccc1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531564 390541806 /nfs/dbraw/zinc/54/18/06/390541806.db2.gz YGQOCPNXHXLZSP-UHFFFAOYSA-N 2 1 264.344 1.780 40 0 CDABMP Fc1ccccc1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531564 390541809 /nfs/dbraw/zinc/54/18/09/390541809.db2.gz YGQOCPNXHXLZSP-UHFFFAOYSA-N 2 1 264.344 1.780 40 0 CDABMP C[C@@H]1CC(C)(C)NCCC[NH2+][C@@H](C)CC(C)(C)NCC[NH2+]1 ZINC000068605135 287220263 /nfs/dbraw/zinc/22/02/63/287220263.db2.gz AXJSSPFRZNDANC-LSDHHAIUSA-N 2 1 298.519 1.863 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000079407672 280271812 /nfs/dbraw/zinc/27/18/12/280271812.db2.gz QZAGKHDAUDASEO-STQMWFEESA-N 2 1 255.406 1.301 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000020299805 356536018 /nfs/dbraw/zinc/53/60/18/356536018.db2.gz HIXWDYAWKNTXDA-LBPRGKRZSA-N 2 1 255.406 1.365 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1CC[NH3+] ZINC000079414570 356993607 /nfs/dbraw/zinc/99/36/07/356993607.db2.gz ZAIYHAMRTFKZIM-MRXNPFEDSA-N 2 1 261.413 1.932 40 0 CDABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079428764 356996357 /nfs/dbraw/zinc/99/63/57/356996357.db2.gz SJQREJMGAVCABO-MRXNPFEDSA-N 2 1 289.423 1.704 40 0 CDABMP COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH2+]CC2 ZINC000096220507 358723224 /nfs/dbraw/zinc/72/32/24/358723224.db2.gz UOWRBZQEVDGVEY-OAHLLOKOSA-N 2 1 275.396 1.672 40 0 CDABMP [NH3+]CC(=O)N1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079393809 390421213 /nfs/dbraw/zinc/42/12/13/390421213.db2.gz NACRROLINSVOBU-HNNXBMFYSA-N 2 1 273.380 1.211 40 0 CDABMP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000004969451 170047098 /nfs/dbraw/zinc/04/70/98/170047098.db2.gz IEBYOGRTJXACPT-AWEZNQCLSA-N 2 1 269.433 1.709 40 0 CDABMP Cc1ncc(C[N@@H+]2CCC3(CC([NH+](C)C)C3)C2)cn1 ZINC000108527075 186221030 /nfs/dbraw/zinc/22/10/30/186221030.db2.gz HIYTUINIRGIVCB-UHFFFAOYSA-N 2 1 260.385 1.701 40 0 CDABMP COCC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000155465094 351378169 /nfs/dbraw/zinc/37/81/69/351378169.db2.gz POLKLJVGISNMDE-CQSZACIVSA-N 2 1 298.427 1.230 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404646 356991436 /nfs/dbraw/zinc/99/14/36/356991436.db2.gz WBPPPFVISLBPTQ-HOTGVXAUSA-N 2 1 289.423 1.703 40 0 CDABMP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415194 356993379 /nfs/dbraw/zinc/99/33/79/356993379.db2.gz RXDQJWUAYAOUJX-HNNXBMFYSA-N 2 1 275.396 1.316 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415349 356995411 /nfs/dbraw/zinc/99/54/11/356995411.db2.gz HHYJJFBHESCDTQ-ZFWWWQNUSA-N 2 1 275.396 1.457 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419687 390422624 /nfs/dbraw/zinc/42/26/24/390422624.db2.gz KADWGGGIEDKWBM-MJBXVCDLSA-N 2 1 267.417 1.491 40 0 CDABMP Cc1ccc2c(c1)C1(C[C@@H]2[N@@H+](C)CCO)CC[NH2+]CC1 ZINC000096157370 390913330 /nfs/dbraw/zinc/91/33/30/390913330.db2.gz NAAIKJRIYDWFHB-INIZCTEOSA-N 2 1 274.408 1.985 40 0 CDABMP Cc1ccc2c(c1)C1(C[C@H]2[N@@H+](C)CCO)CC[NH2+]CC1 ZINC000096157371 260563967 /nfs/dbraw/zinc/56/39/67/260563967.db2.gz NAAIKJRIYDWFHB-MRXNPFEDSA-N 2 1 274.408 1.985 40 0 CDABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+](C)C)OC[C@H]3C2)o1 ZINC000096056202 185077816 /nfs/dbraw/zinc/07/78/16/185077816.db2.gz XFNHQIQBYLBFQW-BMFZPTHFSA-N 2 1 278.396 1.987 40 0 CDABMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CCC3)CC2)CC1 ZINC000096087193 185093532 /nfs/dbraw/zinc/09/35/32/185093532.db2.gz DJXSCQGTDGUQSP-UHFFFAOYSA-N 2 1 293.455 1.851 40 0 CDABMP C[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096100354 185098269 /nfs/dbraw/zinc/09/82/69/185098269.db2.gz QQJRHVVBGOVFOK-MCIONIFRSA-N 2 1 250.342 1.431 40 0 CDABMP O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000253494411 342429873 /nfs/dbraw/zinc/42/98/73/342429873.db2.gz XKRNTOCNSGQSIM-HUUCEWRRSA-N 2 1 280.412 1.794 40 0 CDABMP C[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415197 356993778 /nfs/dbraw/zinc/99/37/78/356993778.db2.gz RXDQJWUAYAOUJX-OAHLLOKOSA-N 2 1 275.396 1.316 40 0 CDABMP C[C@@H]1CC(C)(C)NCC[NH2+][C@@H](C)CC(C)(C)NCCC[NH2+]1 ZINC000068605138 357651935 /nfs/dbraw/zinc/65/19/35/357651935.db2.gz AXJSSPFRZNDANC-CABCVRRESA-N 3 1 298.519 1.863 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415702 390421814 /nfs/dbraw/zinc/42/18/14/390421814.db2.gz QIADQKRZMNJGAG-HOTGVXAUSA-N 2 1 289.423 1.703 40 0 CDABMP NC(=O)[C@@H]1CCCN(c2cc[nH+]c(C3CC[NH2+]CC3)c2)C1 ZINC000257335441 362586994 /nfs/dbraw/zinc/58/69/94/362586994.db2.gz YKEGPWRHZLCWOT-CYBMUJFWSA-N 2 1 288.395 1.250 40 0 CDABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404493 356990896 /nfs/dbraw/zinc/99/08/96/356990896.db2.gz ABGIJTAAKWILPS-HOCLYGCPSA-N 2 1 289.423 1.845 40 0 CDABMP Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+](C)C)n3CC2)n1 ZINC000096196787 358716403 /nfs/dbraw/zinc/71/64/03/358716403.db2.gz VJSGTKDNVXGSLH-UHFFFAOYSA-N 2 1 299.422 1.706 40 0 CDABMP c1cn2c(n1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2 ZINC000306124246 374967137 /nfs/dbraw/zinc/96/71/37/374967137.db2.gz BKLCJVNESLNMKC-UONOGXRCSA-N 2 1 254.337 1.582 40 0 CDABMP CC[NH+](CC)CCC[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000026439627 391106135 /nfs/dbraw/zinc/10/61/35/391106135.db2.gz OHFLNMVGCPHDNF-CQSZACIVSA-N 2 1 269.433 1.709 40 0 CDABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306123041 392105123 /nfs/dbraw/zinc/10/51/23/392105123.db2.gz ADDWRTXHPGGWGV-CQSZACIVSA-N 2 1 261.369 1.425 40 0 CDABMP O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC[NH2+]CC1 ZINC000005382572 170092459 /nfs/dbraw/zinc/09/24/59/170092459.db2.gz XKRNTOCNSGQSIM-GJZGRUSLSA-N 2 1 280.412 1.794 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415429 356995696 /nfs/dbraw/zinc/99/56/96/356995696.db2.gz BDCXFJSOHIWZJA-DZGCQCFKSA-N 2 1 275.396 1.457 40 0 CDABMP CC[NH+]1CCC([N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331858 190035609 /nfs/dbraw/zinc/03/56/09/190035609.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 2 1 262.401 1.992 40 0 CDABMP CC[NH+]1CCC([N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)CC1 ZINC000257331858 190035610 /nfs/dbraw/zinc/03/56/10/190035610.db2.gz XUOQPVZQBYEZEG-ZDUSSCGKSA-N 2 1 262.401 1.992 40 0 CDABMP COCC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC000096100553 185097693 /nfs/dbraw/zinc/09/76/93/185097693.db2.gz PGFMOSGLPNPCBI-UHFFFAOYSA-N 2 1 292.427 1.374 40 0 CDABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079428767 356996424 /nfs/dbraw/zinc/99/64/24/356996424.db2.gz SJQREJMGAVCABO-INIZCTEOSA-N 2 1 289.423 1.704 40 0 CDABMP C[N@H+](Cc1cccnc1)C[C@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC000096160643 390947569 /nfs/dbraw/zinc/94/75/69/390947569.db2.gz ATCPTTQXVGVUEM-HZPDHXFCSA-N 2 1 291.395 1.051 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037028195 367279037 /nfs/dbraw/zinc/27/90/37/367279037.db2.gz XKZKAPZLJSQVNX-GJZGRUSLSA-N 2 1 275.396 1.360 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)C2CC2)C1 ZINC000079419644 390421396 /nfs/dbraw/zinc/42/13/96/390421396.db2.gz DIMKJEAXXAXJIF-STQMWFEESA-N 2 1 253.390 1.055 40 0 CDABMP [NH3+]CC(=O)N1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079391047 356987936 /nfs/dbraw/zinc/98/79/36/356987936.db2.gz JBCDRSFUECHREK-UHFFFAOYSA-N 2 1 287.407 1.601 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415303 356995092 /nfs/dbraw/zinc/99/50/92/356995092.db2.gz RNAALBWXNHNBFM-OAHLLOKOSA-N 2 1 275.396 1.457 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](C)C1CC1 ZINC000079419657 356995520 /nfs/dbraw/zinc/99/55/20/356995520.db2.gz TUDSHIUJGSBKAG-KBPBESRZSA-N 2 1 267.417 1.445 40 0 CDABMP COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096219372 358721937 /nfs/dbraw/zinc/72/19/37/358721937.db2.gz ZHPUHQNIQFFSMU-DOTOQJQBSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cccc(C)n1)C2 ZINC000096219372 358721943 /nfs/dbraw/zinc/72/19/43/358721943.db2.gz ZHPUHQNIQFFSMU-DOTOQJQBSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096219372 358721947 /nfs/dbraw/zinc/72/19/47/358721947.db2.gz ZHPUHQNIQFFSMU-DOTOQJQBSA-N 2 1 289.423 1.790 40 0 CDABMP COC[C@@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096219372 358721950 /nfs/dbraw/zinc/72/19/50/358721950.db2.gz ZHPUHQNIQFFSMU-DOTOQJQBSA-N 2 1 289.423 1.790 40 0 CDABMP c1cn2c(n1)C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306124245 374968355 /nfs/dbraw/zinc/96/83/55/374968355.db2.gz BKLCJVNESLNMKC-KGLIPLIRSA-N 2 1 254.337 1.582 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000079407745 390421733 /nfs/dbraw/zinc/42/17/33/390421733.db2.gz SHLMLSQCQHMCCX-KGLIPLIRSA-N 2 1 267.417 1.445 40 0 CDABMP C[NH+](C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257215792 289075679 /nfs/dbraw/zinc/07/56/79/289075679.db2.gz CRRIAJMDBQXWNU-KNCOVGOOSA-N 2 1 279.428 1.412 40 0 CDABMP C[NH+](C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257215792 289075684 /nfs/dbraw/zinc/07/56/84/289075684.db2.gz CRRIAJMDBQXWNU-KNCOVGOOSA-N 2 1 279.428 1.412 40 0 CDABMP [NH3+]CC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391046 356988016 /nfs/dbraw/zinc/98/80/16/356988016.db2.gz SXQUPPKJTQSBEQ-INIZCTEOSA-N 2 1 287.407 1.601 40 0 CDABMP CN(CC[NH3+])C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393563 356990018 /nfs/dbraw/zinc/99/00/18/356990018.db2.gz GYAOKASOWLQRPJ-INIZCTEOSA-N 2 1 261.413 1.932 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000079407718 390421383 /nfs/dbraw/zinc/42/13/83/390421383.db2.gz PRJMJGMJLBWXKD-OLZOCXBDSA-N 2 1 253.390 1.055 40 0 CDABMP C[NH2+]CCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000008376969 170333834 /nfs/dbraw/zinc/33/38/34/170333834.db2.gz ULANHDDXMJFRFT-UHFFFAOYSA-N 2 1 268.357 1.412 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415408 278224126 /nfs/dbraw/zinc/22/41/26/278224126.db2.gz CUEGXVIPFGXYJP-IMJJTQAJSA-N 2 1 289.423 1.893 40 0 CDABMP C[NH2+][C@@H](CC[NH+]1CCCCC1)CN1CCCCC1 ZINC000019366566 356482814 /nfs/dbraw/zinc/48/28/14/356482814.db2.gz RUXWKZUHMGQHFE-HNNXBMFYSA-N 2 1 253.434 1.936 40 0 CDABMP C[NH+]1CCN(CCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000023477136 356643650 /nfs/dbraw/zinc/64/36/50/356643650.db2.gz FNUJFJIIMIYYBY-IYBDPMFKSA-N 2 1 263.429 1.522 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000079415445 356994689 /nfs/dbraw/zinc/99/46/89/356994689.db2.gz DYPWIISJAITNTC-GOEBONIOSA-N 2 1 289.423 1.847 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404409 356991398 /nfs/dbraw/zinc/99/13/98/356991398.db2.gz UNAUYYTYCINVCX-DZGCQCFKSA-N 2 1 275.396 1.314 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415307 356995285 /nfs/dbraw/zinc/99/52/85/356995285.db2.gz RNAALBWXNHNBFM-HNNXBMFYSA-N 2 1 275.396 1.457 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000026439556 287023536 /nfs/dbraw/zinc/02/35/36/287023536.db2.gz MNFVVDCATODWRQ-QWHCGFSZSA-N 2 1 255.406 1.317 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+] ZINC000079414567 279239448 /nfs/dbraw/zinc/23/94/48/279239448.db2.gz ZAIYHAMRTFKZIM-INIZCTEOSA-N 2 1 261.413 1.932 40 0 CDABMP CC(C)N1C[C@@]2(CCC[N@@H+](Cc3cncn3C)C2)C1=O ZINC000585099520 342212179 /nfs/dbraw/zinc/21/21/79/342212179.db2.gz PQZOLVJMTZFORI-HNNXBMFYSA-N 2 1 276.384 1.253 40 0 CDABMP CC(C)N1C[C@@]2(CCCN(Cc3cncn3C)C2)C1=O ZINC000585099520 342212180 /nfs/dbraw/zinc/21/21/80/342212180.db2.gz PQZOLVJMTZFORI-HNNXBMFYSA-N 2 1 276.384 1.253 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)NC1CCCCC1 ZINC000020299803 356535967 /nfs/dbraw/zinc/53/59/67/356535967.db2.gz HIXWDYAWKNTXDA-GFCCVEGCSA-N 2 1 255.406 1.365 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000079407743 356991154 /nfs/dbraw/zinc/99/11/54/356991154.db2.gz SHLMLSQCQHMCCX-KBPBESRZSA-N 2 1 267.417 1.445 40 0 CDABMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000072817080 357852199 /nfs/dbraw/zinc/85/21/99/357852199.db2.gz KFVKJMMNTZHZGZ-OAHLLOKOSA-N 2 1 281.444 1.566 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000242463814 364518970 /nfs/dbraw/zinc/51/89/70/364518970.db2.gz DMSWSUAKELNOBM-WKILWMFISA-N 2 1 289.423 1.895 40 0 CDABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306130472 374967324 /nfs/dbraw/zinc/96/73/24/374967324.db2.gz JHKGJFIQZQPKEW-LBPRGKRZSA-N 2 1 250.342 1.623 40 0 CDABMP CC(C)N(C(=O)C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404235 390421540 /nfs/dbraw/zinc/42/15/40/390421540.db2.gz NMKRVFOOXZLMGU-HNNXBMFYSA-N 2 1 275.396 1.457 40 0 CDABMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000004721590 276105300 /nfs/dbraw/zinc/10/53/00/276105300.db2.gz UHQFQSLVYHDGKB-QLFBSQMISA-N 2 1 254.418 1.811 40 0 CDABMP CC(C)n1cc(C[N@H+]2C[C@H]3OC[C@@H](C[NH+](C)C)[C@H]3C2)cn1 ZINC000247980275 362142394 /nfs/dbraw/zinc/14/23/94/362142394.db2.gz JGXUTZOEJNXYJA-BZUAXINKSA-N 2 1 292.427 1.472 40 0 CDABMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406643 374300066 /nfs/dbraw/zinc/30/00/66/374300066.db2.gz WMZPXJDZGQYJMN-USXIJHARSA-N 2 1 276.424 1.910 40 0 CDABMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000096054295 185075492 /nfs/dbraw/zinc/07/54/92/185075492.db2.gz MMBYQDWSLKKMPI-CABCVRRESA-N 2 1 295.452 1.195 40 0 CDABMP COCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091446 /nfs/dbraw/zinc/09/14/46/185091446.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 2 1 289.423 1.790 40 0 CDABMP COCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091448 /nfs/dbraw/zinc/09/14/48/185091448.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 2 1 289.423 1.790 40 0 CDABMP COCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091451 /nfs/dbraw/zinc/09/14/51/185091451.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 2 1 289.423 1.790 40 0 CDABMP COCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C)n3)C[C@@H]2C1 ZINC000096081397 185091444 /nfs/dbraw/zinc/09/14/44/185091444.db2.gz WPLPMEFUFKOSIO-CVEARBPZSA-N 2 1 289.423 1.790 40 0 CDABMP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414527 356993896 /nfs/dbraw/zinc/99/38/96/356993896.db2.gz LUWJHNCGBWFZBX-INIZCTEOSA-N 2 1 261.413 1.789 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000230024299 375299184 /nfs/dbraw/zinc/29/91/84/375299184.db2.gz KXJXPBGNJQXIQU-MJBXVCDLSA-N 2 1 269.433 1.421 40 0 CDABMP COc1ccc([C@H](CNC(N)=[NH2+])[NH+]2CCCCC2)cc1 ZINC000058064523 375650940 /nfs/dbraw/zinc/65/09/40/375650940.db2.gz IXLZUJSSCIHKKZ-AWEZNQCLSA-N 2 1 276.384 1.705 40 0 CDABMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)CC1 ZINC000257287538 190027067 /nfs/dbraw/zinc/02/70/67/190027067.db2.gz PQJYONPTTNBLHK-HOTGVXAUSA-N 2 1 282.428 1.741 40 0 CDABMP CC[NH+]1CCC([N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)CC1 ZINC000257287538 190027068 /nfs/dbraw/zinc/02/70/68/190027068.db2.gz PQJYONPTTNBLHK-HOTGVXAUSA-N 2 1 282.428 1.741 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@H+]1C)C(C)C ZINC000079426703 390422663 /nfs/dbraw/zinc/42/26/63/390422663.db2.gz NRMHZDIZWLNLDG-KGLIPLIRSA-N 2 1 269.433 1.691 40 0 CDABMP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424714 391190333 /nfs/dbraw/zinc/19/03/33/391190333.db2.gz VOJUROBBYILNPW-IXDOHACOSA-N 2 1 298.471 1.705 40 0 CDABMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424714 391190335 /nfs/dbraw/zinc/19/03/35/391190335.db2.gz VOJUROBBYILNPW-IXDOHACOSA-N 2 1 298.471 1.705 40 0 CDABMP C[C@@H]1CC(C)(C)NCC[NH2+][C@H](C)CC(C)(C)NCCC[NH2+]1 ZINC000068605129 287220234 /nfs/dbraw/zinc/22/02/34/287220234.db2.gz AXJSSPFRZNDANC-HUUCEWRRSA-N 2 1 298.519 1.863 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC1 ZINC000079419682 280275085 /nfs/dbraw/zinc/27/50/85/280275085.db2.gz KADWGGGIEDKWBM-MCIONIFRSA-N 2 1 267.417 1.491 40 0 CDABMP OC[C@@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484363 230381000 /nfs/dbraw/zinc/38/10/00/230381000.db2.gz CTUMWRFFXBTOBG-IXDOHACOSA-N 2 1 274.408 1.979 40 0 CDABMP C[NH+](C)CC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000248102726 362149893 /nfs/dbraw/zinc/14/98/93/362149893.db2.gz IAPFVFBXEYDYTM-OAHLLOKOSA-N 2 1 292.427 1.618 40 0 CDABMP C[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000158241382 188365519 /nfs/dbraw/zinc/36/55/19/188365519.db2.gz GNSAWOXWFUBNOK-KRWDZBQOSA-N 2 1 289.423 1.719 40 0 CDABMP C[NH+](C)CC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000158241382 188365520 /nfs/dbraw/zinc/36/55/20/188365520.db2.gz GNSAWOXWFUBNOK-KRWDZBQOSA-N 2 1 289.423 1.719 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415179 356993339 /nfs/dbraw/zinc/99/33/39/356993339.db2.gz BNOOOCKULLHMKA-CQSZACIVSA-N 2 1 261.369 1.068 40 0 CDABMP COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2[NH3+])c(OC)c1OC ZINC000242390242 392695525 /nfs/dbraw/zinc/69/55/25/392695525.db2.gz AGGSXHAAIPDJDW-STQMWFEESA-N 2 1 294.395 1.534 40 0 CDABMP COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2[NH3+])c(OC)c1OC ZINC000242390242 392695531 /nfs/dbraw/zinc/69/55/31/392695531.db2.gz AGGSXHAAIPDJDW-STQMWFEESA-N 2 1 294.395 1.534 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415229 356994333 /nfs/dbraw/zinc/99/43/33/356994333.db2.gz MNGJTWBDSLUSIZ-CQSZACIVSA-N 2 1 261.369 1.068 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)C(C)C ZINC000079419619 356995650 /nfs/dbraw/zinc/99/56/50/356995650.db2.gz SKLYRXLGFFAHCD-MJBXVCDLSA-N 2 1 269.433 1.737 40 0 CDABMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1=O ZINC000096244959 358724606 /nfs/dbraw/zinc/72/46/06/358724606.db2.gz LEOFWPRQAKOLRG-KBPBESRZSA-N 2 1 293.436 1.200 40 0 CDABMP CCS(=O)(=O)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000217927889 375762787 /nfs/dbraw/zinc/76/27/87/375762787.db2.gz BAANTCNEDAPEPB-UHFFFAOYSA-N 2 1 296.436 1.415 40 0 CDABMP C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249549 256834752 /nfs/dbraw/zinc/83/47/52/256834752.db2.gz ZGJYXGMBOWVRCW-GDBMZVCRSA-N 2 1 278.371 1.978 40 0 CDABMP C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249549 256834753 /nfs/dbraw/zinc/83/47/53/256834753.db2.gz ZGJYXGMBOWVRCW-GDBMZVCRSA-N 2 1 278.371 1.978 40 0 CDABMP C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249549 256834754 /nfs/dbraw/zinc/83/47/54/256834754.db2.gz ZGJYXGMBOWVRCW-GDBMZVCRSA-N 2 1 278.371 1.978 40 0 CDABMP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000004969464 170047092 /nfs/dbraw/zinc/04/70/92/170047092.db2.gz XOZMLCMCGJMAGB-CYBMUJFWSA-N 2 1 255.406 1.319 40 0 CDABMP C[N@@H+]1CC[NH2+]C[C@@H](Cc2cccc3ncccc23)C1 ZINC000072344402 176373232 /nfs/dbraw/zinc/37/32/32/176373232.db2.gz WGNZOCVLEKSFCF-CYBMUJFWSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@H+]1CC[NH2+]C[C@@H](Cc2cccc3ncccc23)C1 ZINC000072344402 176373233 /nfs/dbraw/zinc/37/32/33/176373233.db2.gz WGNZOCVLEKSFCF-CYBMUJFWSA-N 2 1 255.365 1.929 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])C1([NH+]2CCCC2)CCCC1 ZINC000072210399 390618071 /nfs/dbraw/zinc/61/80/71/390618071.db2.gz WCHPXRHHCRGIJX-LBPRGKRZSA-N 2 1 254.374 1.533 40 0 CDABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21 ZINC000096056207 185077602 /nfs/dbraw/zinc/07/76/02/185077602.db2.gz FXOMYHYNGLOLOG-OAGGEKHMSA-N 2 1 275.396 1.480 40 0 CDABMP CC[N@@H+](Cc1ccccc1)C1CCC(NC(=O)C[NH3+])CC1 ZINC000079415289 356994585 /nfs/dbraw/zinc/99/45/85/356994585.db2.gz DMSWSUAKELNOBM-UHFFFAOYSA-N 2 1 289.423 1.895 40 0 CDABMP C[C@H]1CC(C)(C)NCC[NH2+][C@@H](C)CC(C)(C)NCCC[NH2+]1 ZINC000068605143 357651607 /nfs/dbraw/zinc/65/16/07/357651607.db2.gz AXJSSPFRZNDANC-GJZGRUSLSA-N 3 1 298.519 1.863 40 0 CDABMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000236784636 366411180 /nfs/dbraw/zinc/41/11/80/366411180.db2.gz HNITUVLJZPVICJ-ZIAGYGMSSA-N 2 1 267.417 1.304 40 0 CDABMP CC(C)N(C(=O)C[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404254 390421476 /nfs/dbraw/zinc/42/14/76/390421476.db2.gz MSXANNZUDCQRGW-MRXNPFEDSA-N 2 1 289.423 1.847 40 0 CDABMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000078552967 177353274 /nfs/dbraw/zinc/35/32/74/177353274.db2.gz AEZOOSCMBWBHLX-UHFFFAOYSA-N 2 1 291.439 1.755 40 0 CDABMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000078552961 177353468 /nfs/dbraw/zinc/35/34/68/177353468.db2.gz HDRLVQYGZKXDNL-UHFFFAOYSA-N 2 1 276.428 1.445 40 0 CDABMP CC[NH+](CC)Cc1cnc2n1CC[N@@H+]([C@@H]1CCOC1)CC2 ZINC000096067882 279138973 /nfs/dbraw/zinc/13/89/73/279138973.db2.gz YDETXXVEMPSNBD-CQSZACIVSA-N 2 1 292.427 1.372 40 0 CDABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C(F)(F)F)cc1 ZINC000017039530 356452413 /nfs/dbraw/zinc/45/24/13/356452413.db2.gz ROTRAHDYGVFVQU-UHFFFAOYSA-N 2 1 285.273 1.891 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404416 356990659 /nfs/dbraw/zinc/99/06/59/356990659.db2.gz CDRBADUMCKUHRH-ZFWWWQNUSA-N 2 1 275.396 1.457 40 0 CDABMP C[N@@H+]1CCN(C(=O)C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000257341498 190036898 /nfs/dbraw/zinc/03/68/98/190036898.db2.gz ZKORSGZQGFXWTD-INIZCTEOSA-N 2 1 287.407 1.501 40 0 CDABMP C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000257341498 190036899 /nfs/dbraw/zinc/03/68/99/190036899.db2.gz ZKORSGZQGFXWTD-INIZCTEOSA-N 2 1 287.407 1.501 40 0 CDABMP CCN(C[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407608 285022324 /nfs/dbraw/zinc/02/23/24/285022324.db2.gz MTTBAEJTBROXAW-STQMWFEESA-N 2 1 255.406 1.303 40 0 CDABMP CC[C@@](C)([NH3+])c1c2c(c(OC)c3c1CC[N@@H+](C)C3)OCO2 ZINC000242581663 391942746 /nfs/dbraw/zinc/94/27/46/391942746.db2.gz OAYXUIBAVSJKHP-MRXNPFEDSA-N 2 1 292.379 1.996 40 0 CDABMP COc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH3+])c(OC)c1OC ZINC000242390241 392695813 /nfs/dbraw/zinc/69/58/13/392695813.db2.gz AGGSXHAAIPDJDW-QWHCGFSZSA-N 2 1 294.395 1.534 40 0 CDABMP COc1ccc(C[C@H]2C[N@@H+](C)CC[C@H]2[NH3+])c(OC)c1OC ZINC000242390241 392695816 /nfs/dbraw/zinc/69/58/16/392695816.db2.gz AGGSXHAAIPDJDW-QWHCGFSZSA-N 2 1 294.395 1.534 40 0 CDABMP CC[C@](C)([NH3+])c1c2c(c(OC)c3c1CC[N@@H+](C)C3)OCO2 ZINC000242581661 391942934 /nfs/dbraw/zinc/94/29/34/391942934.db2.gz OAYXUIBAVSJKHP-INIZCTEOSA-N 2 1 292.379 1.996 40 0 CDABMP [NH3+]CCN(C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393630 356990100 /nfs/dbraw/zinc/99/01/00/356990100.db2.gz DYTJPGVYXYSZBJ-INIZCTEOSA-N 2 1 259.397 1.684 40 0 CDABMP CC(C)N(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404491 356990904 /nfs/dbraw/zinc/99/09/04/356990904.db2.gz ABGIJTAAKWILPS-GOEBONIOSA-N 2 1 289.423 1.845 40 0 CDABMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)C1 ZINC000260559684 366411984 /nfs/dbraw/zinc/41/19/84/366411984.db2.gz SFSMMQCVGZEYTF-OAGGEKHMSA-N 2 1 295.471 1.812 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000079407715 390421523 /nfs/dbraw/zinc/42/15/23/390421523.db2.gz PRJMJGMJLBWXKD-STQMWFEESA-N 2 1 253.390 1.055 40 0 CDABMP C[C@@]1(CO)CCC[C@H]1[NH2+]CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000104245201 390488052 /nfs/dbraw/zinc/48/80/52/390488052.db2.gz LBNBPYQPTNKLFN-WCVJEAGWSA-N 2 1 284.444 1.268 40 0 CDABMP Cc1cccc2cc(C[NH2+]CCC[NH+](C)C)c(=O)[nH]c12 ZINC000004132829 169936566 /nfs/dbraw/zinc/93/65/66/169936566.db2.gz YJGDPLWSNFYGRE-UHFFFAOYSA-N 2 1 273.380 1.878 40 0 CDABMP CCOc1c(C[NH2+]CCC[NH2+]C)cccc1OC ZINC000008253461 170326964 /nfs/dbraw/zinc/32/69/64/170326964.db2.gz ZYFPSFGJEPPEKE-UHFFFAOYSA-N 2 1 252.358 1.793 40 0 CDABMP CN(CC[NH3+])C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393566 356989016 /nfs/dbraw/zinc/98/90/16/356989016.db2.gz GYAOKASOWLQRPJ-MRXNPFEDSA-N 2 1 261.413 1.932 40 0 CDABMP C[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3cccnc3)n12 ZINC000306139014 374970071 /nfs/dbraw/zinc/97/00/71/374970071.db2.gz SNDYXLYBACUTEI-UHFFFAOYSA-N 2 1 298.394 1.206 40 0 CDABMP C[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3cccnc3)n12 ZINC000306139014 374970076 /nfs/dbraw/zinc/97/00/76/374970076.db2.gz SNDYXLYBACUTEI-UHFFFAOYSA-N 2 1 298.394 1.206 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000004969408 170046936 /nfs/dbraw/zinc/04/69/36/170046936.db2.gz CXABUZLGGVHQRG-HZSPNIEDSA-N 2 1 269.433 1.706 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404601 356990885 /nfs/dbraw/zinc/99/08/85/356990885.db2.gz SACBQTCDVLXJFE-CVEARBPZSA-N 2 1 289.423 1.751 40 0 CDABMP C[N@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000072816499 357851716 /nfs/dbraw/zinc/85/17/16/357851716.db2.gz ZBQXLQWMVLHRMG-AWEZNQCLSA-N 2 1 267.417 1.320 40 0 CDABMP Cc1nn(C)c(C)c1C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000096523675 390537424 /nfs/dbraw/zinc/53/74/24/390537424.db2.gz OTTVSLFTPORGKR-ZDUSSCGKSA-N 2 1 250.390 1.468 40 0 CDABMP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000096523675 390537429 /nfs/dbraw/zinc/53/74/29/390537429.db2.gz OTTVSLFTPORGKR-ZDUSSCGKSA-N 2 1 250.390 1.468 40 0 CDABMP c1csc(CC[N@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096531589 390542095 /nfs/dbraw/zinc/54/20/95/390542095.db2.gz ULARAKGPAWEQFN-UHFFFAOYSA-N 2 1 266.410 1.745 40 0 CDABMP C(C[NH+]1CCCC1)O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC1 ZINC000096057940 185078690 /nfs/dbraw/zinc/07/86/90/185078690.db2.gz HDVURFDKLVDLCZ-GVDBMIGSSA-N 2 1 294.439 1.741 40 0 CDABMP COC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH2+]CC2 ZINC000585103191 342212710 /nfs/dbraw/zinc/21/27/10/342212710.db2.gz MOHQQVYCSZSNBY-ZDUSSCGKSA-N 2 1 295.452 1.900 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+](C)C(C)C ZINC000079419573 356994743 /nfs/dbraw/zinc/99/47/43/356994743.db2.gz ZKNRGUMMEURXAM-STQMWFEESA-N 2 1 255.406 1.301 40 0 CDABMP COc1ccccc1N1C(=[NH2+])NC(=[NH2+])N[C@@H]1c1ccccc1 ZINC000003075956 274158436 /nfs/dbraw/zinc/15/84/36/274158436.db2.gz GDRRQSFYFISYHS-AWEZNQCLSA-N 2 1 295.346 1.843 40 0 CDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccco2)[C@@H]2COC[C@H]12 ZINC000096184982 358714311 /nfs/dbraw/zinc/71/43/11/358714311.db2.gz PMTGZLDQVVOPQL-ZNMIVQPWSA-N 2 1 280.368 1.057 40 0 CDABMP C[C@@]1(CO)CCC[C@H]1[NH2+]CCN[C@H]1CCC[C@]1(C)CO ZINC000104245187 358953736 /nfs/dbraw/zinc/95/37/36/358953736.db2.gz LBNBPYQPTNKLFN-SYMSYNOKSA-N 2 1 284.444 1.268 40 0 CDABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH2+]CC2 ZINC000306130364 374968587 /nfs/dbraw/zinc/96/85/87/374968587.db2.gz JDVZSWDXALIMCP-HNNXBMFYSA-N 2 1 275.396 1.672 40 0 CDABMP CC[N@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216574 390622129 /nfs/dbraw/zinc/62/21/29/390622129.db2.gz BLNBEPWRWBDJKX-HNNXBMFYSA-N 2 1 274.412 1.990 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404371 356991077 /nfs/dbraw/zinc/99/10/77/356991077.db2.gz OHVNPJOEJUILJY-JSGCOSHPSA-N 2 1 261.369 1.114 40 0 CDABMP [NH3+]CC(=O)N(C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404315 356991346 /nfs/dbraw/zinc/99/13/46/356991346.db2.gz NPGBTYVYFSQFSI-MRXNPFEDSA-N 2 1 287.407 1.601 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000079415334 356994897 /nfs/dbraw/zinc/99/48/97/356994897.db2.gz LDCVQMDQPKOYFP-GXTWGEPZSA-N 2 1 261.369 1.067 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)C(C)C)CC1 ZINC000100177621 358642863 /nfs/dbraw/zinc/64/28/63/358642863.db2.gz XTJQBONVYZQROW-MJBXVCDLSA-N 2 1 269.433 1.737 40 0 CDABMP C[N@@H+]1CC[NH2+]C[C@H](Cc2cncc3ccccc32)C1 ZINC000257285820 190026945 /nfs/dbraw/zinc/02/69/45/190026945.db2.gz PJAAMMXZDQFLAX-ZDUSSCGKSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@H+]1CC[NH2+]C[C@H](Cc2cncc3ccccc32)C1 ZINC000257285820 190026946 /nfs/dbraw/zinc/02/69/46/190026946.db2.gz PJAAMMXZDQFLAX-ZDUSSCGKSA-N 2 1 255.365 1.929 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000079426696 280271787 /nfs/dbraw/zinc/27/17/87/280271787.db2.gz NRMHZDIZWLNLDG-KBPBESRZSA-N 2 1 269.433 1.691 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000037826017 280271896 /nfs/dbraw/zinc/27/18/96/280271896.db2.gz SRHSRAZZEHZTDL-AWEZNQCLSA-N 2 1 269.433 1.549 40 0 CDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000096052269 185074739 /nfs/dbraw/zinc/07/47/39/185074739.db2.gz GDBFNEDONSWOJO-JKSUJKDBSA-N 2 1 294.395 1.591 40 0 CDABMP C[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000096052269 185074740 /nfs/dbraw/zinc/07/47/40/185074740.db2.gz GDBFNEDONSWOJO-JKSUJKDBSA-N 2 1 294.395 1.591 40 0 CDABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3nccs3)CC[C@H]21 ZINC000096083113 185092611 /nfs/dbraw/zinc/09/26/11/185092611.db2.gz NTKJMOBSZMOSRC-UPJWGTAASA-N 2 1 281.425 1.542 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404400 356990545 /nfs/dbraw/zinc/99/05/45/356990545.db2.gz IAHFZJAOBAGHAO-ZFWWWQNUSA-N 2 1 275.396 1.457 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404369 356990992 /nfs/dbraw/zinc/99/09/92/356990992.db2.gz OHVNPJOEJUILJY-GXTWGEPZSA-N 2 1 261.369 1.114 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415353 356994827 /nfs/dbraw/zinc/99/48/27/356994827.db2.gz XFYQWHBVDUWOKS-DZGCQCFKSA-N 2 1 275.396 1.314 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000026439588 296122268 /nfs/dbraw/zinc/12/22/68/296122268.db2.gz KXJXPBGNJQXIQU-MELADBBJSA-N 2 1 269.433 1.421 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419663 390422472 /nfs/dbraw/zinc/42/24/72/390422472.db2.gz DESYOLJQOWRHMA-JSGCOSHPSA-N 2 1 267.417 1.303 40 0 CDABMP C[NH+]1CCN(c2ncccc2C2=[NH+]CCCC2)CC1 ZINC000072216593 390622257 /nfs/dbraw/zinc/62/22/57/390622257.db2.gz FZYYDGSGFIZDIA-UHFFFAOYSA-N 2 1 258.369 1.806 40 0 CDABMP CN(C)c1cc(C[NH+](C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072352024 176374085 /nfs/dbraw/zinc/37/40/85/176374085.db2.gz OALCXHBFWSMOFH-LBPRGKRZSA-N 2 1 277.416 1.413 40 0 CDABMP Cc1ccc2cc(C[NH2+]CCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004132826 363193230 /nfs/dbraw/zinc/19/32/30/363193230.db2.gz MLCIBJQQVKVVSK-UHFFFAOYSA-N 2 1 273.380 1.878 40 0 CDABMP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404463 356990846 /nfs/dbraw/zinc/99/08/46/356990846.db2.gz FUUACBIFNCNOAE-HOCLYGCPSA-N 2 1 289.423 1.847 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)C[NH3+] ZINC000079415227 356993091 /nfs/dbraw/zinc/99/30/91/356993091.db2.gz IVYFRJJQWNLGJP-GJZGRUSLSA-N 2 1 275.396 1.505 40 0 CDABMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[NH3+])CC1 ZINC000079415213 356994250 /nfs/dbraw/zinc/99/42/50/356994250.db2.gz YYENBZLYGLZRBG-UHFFFAOYSA-N 2 1 275.396 1.316 40 0 CDABMP COC[C@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH2+]CC2 ZINC000585103190 342212744 /nfs/dbraw/zinc/21/27/44/342212744.db2.gz MOHQQVYCSZSNBY-CYBMUJFWSA-N 2 1 295.452 1.900 40 0 CDABMP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072355464 176374864 /nfs/dbraw/zinc/37/48/64/176374864.db2.gz JLIAPWSQPCKOQI-LBPRGKRZSA-N 2 1 257.341 1.780 40 0 CDABMP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072355464 176374866 /nfs/dbraw/zinc/37/48/66/176374866.db2.gz JLIAPWSQPCKOQI-LBPRGKRZSA-N 2 1 257.341 1.780 40 0 CDABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccco3)CC[C@@H]12 ZINC000096056198 185076981 /nfs/dbraw/zinc/07/69/81/185076981.db2.gz GUNFPDHBYGIASN-YUELXQCFSA-N 2 1 264.369 1.678 40 0 CDABMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH2+]C2)OC1 ZINC000585105078 342212946 /nfs/dbraw/zinc/21/29/46/342212946.db2.gz OXSCRMXFKRBJOX-AWEZNQCLSA-N 2 1 261.369 1.282 40 0 CDABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccncc2)CC1 ZINC000019288014 356479571 /nfs/dbraw/zinc/47/95/71/356479571.db2.gz GTEASFANDWMISG-UHFFFAOYSA-N 2 1 286.379 1.614 40 0 CDABMP CCN(CC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393587 356989329 /nfs/dbraw/zinc/98/93/29/356989329.db2.gz PRGIEYMFWYMHHB-MRXNPFEDSA-N 2 1 261.413 1.932 40 0 CDABMP CCN(CC[NH3+])C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393576 356989894 /nfs/dbraw/zinc/98/98/94/356989894.db2.gz QPCPCGAAZNDQAF-INIZCTEOSA-N 2 1 261.413 1.932 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@@H+](C)C(C)C)CC1 ZINC000079419607 356994560 /nfs/dbraw/zinc/99/45/60/356994560.db2.gz XTJQBONVYZQROW-RUXDESIVSA-N 2 1 269.433 1.737 40 0 CDABMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@@H](C)C1 ZINC000225406682 374300210 /nfs/dbraw/zinc/30/02/10/374300210.db2.gz WMZPXJDZGQYJMN-UAGQMJEPSA-N 2 1 276.424 1.910 40 0 CDABMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH2+]CC2 ZINC000306142927 374971611 /nfs/dbraw/zinc/97/16/11/374971611.db2.gz XOHJNXCGPJQUSA-GFCCVEGCSA-N 2 1 281.425 1.734 40 0 CDABMP COc1ccc([C@@H](CNC(N)=[NH2+])[NH+]2CCCCC2)cc1 ZINC000058064519 375650278 /nfs/dbraw/zinc/65/02/78/375650278.db2.gz IXLZUJSSCIHKKZ-CQSZACIVSA-N 2 1 276.384 1.705 40 0 CDABMP CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530868 392101854 /nfs/dbraw/zinc/10/18/54/392101854.db2.gz VOJUROBBYILNPW-GVDBMIGSSA-N 2 1 298.471 1.705 40 0 CDABMP CC[C@@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530868 392101865 /nfs/dbraw/zinc/10/18/65/392101865.db2.gz VOJUROBBYILNPW-GVDBMIGSSA-N 2 1 298.471 1.705 40 0 CDABMP [NH3+]CC(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391040 356988344 /nfs/dbraw/zinc/98/83/44/356988344.db2.gz MCYTZZHGCVVNPH-OAHLLOKOSA-N 2 1 287.407 1.458 40 0 CDABMP Cc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000306141470 374971755 /nfs/dbraw/zinc/97/17/55/374971755.db2.gz VXFSBQRQAISASJ-UHFFFAOYSA-N 2 1 260.381 1.949 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+]2CCOCC2)CCCCC1 ZINC000072210454 390618136 /nfs/dbraw/zinc/61/81/36/390618136.db2.gz YQBNSPSAINKCNI-CYBMUJFWSA-N 2 1 284.400 1.160 40 0 CDABMP C[NH+]1CCN(c2ccc(C3=[NH+]CCCC3)cn2)CC1 ZINC000072216533 390621346 /nfs/dbraw/zinc/62/13/46/390621346.db2.gz WFPDAJNEIHUMLA-UHFFFAOYSA-N 2 1 258.369 1.806 40 0 CDABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CCO)n1 ZINC000072355526 176375136 /nfs/dbraw/zinc/37/51/36/176375136.db2.gz COXASHUOGSTTTM-AWEZNQCLSA-N 2 1 272.352 1.705 40 0 CDABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072355526 176375137 /nfs/dbraw/zinc/37/51/37/176375137.db2.gz COXASHUOGSTTTM-AWEZNQCLSA-N 2 1 272.352 1.705 40 0 CDABMP COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](C)CC2 ZINC000585103051 342212590 /nfs/dbraw/zinc/21/25/90/342212590.db2.gz LIJWIPIYIUBQOS-HNNXBMFYSA-N 2 1 289.423 1.872 40 0 CDABMP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000072817082 357852145 /nfs/dbraw/zinc/85/21/45/357852145.db2.gz KFVKJMMNTZHZGZ-HNNXBMFYSA-N 2 1 281.444 1.566 40 0 CDABMP CCN(C(=O)C[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404201 358068749 /nfs/dbraw/zinc/06/87/49/358068749.db2.gz CBZPZNLXYFLTGC-OAHLLOKOSA-N 2 1 275.396 1.458 40 0 CDABMP COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@H](N(C)C)[C@@H]2C1 ZINC000306130250 374967961 /nfs/dbraw/zinc/96/79/61/374967961.db2.gz JACAXMPXWSZBJH-KFWWJZLASA-N 2 1 291.395 1.099 40 0 CDABMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH2+]CC1 ZINC000096160993 393009584 /nfs/dbraw/zinc/00/95/84/393009584.db2.gz TTYDFOSVDBZCPV-UHFFFAOYSA-N 2 1 287.407 1.524 40 0 CDABMP C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CC[NH+]1CCCC1)C2 ZINC000000198755 361798590 /nfs/dbraw/zinc/79/85/90/361798590.db2.gz BWPRWNIQEYRCRX-PBWFPOADSA-N 2 1 266.385 1.641 40 0 CDABMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000096054294 185075702 /nfs/dbraw/zinc/07/57/02/185075702.db2.gz XYJDMCLLCOKZOP-CABCVRRESA-N 2 1 295.452 1.195 40 0 CDABMP C[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056655 185078014 /nfs/dbraw/zinc/07/80/14/185078014.db2.gz JUGHDZNUQGHSHW-BMFZPTHFSA-N 2 1 278.371 1.977 40 0 CDABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096056200 185078153 /nfs/dbraw/zinc/07/81/53/185078153.db2.gz MXZQRNLNMBGZRZ-KFWWJZLASA-N 2 1 264.369 1.678 40 0 CDABMP COc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)cc1 ZINC000096056656 185078239 /nfs/dbraw/zinc/07/82/39/185078239.db2.gz BWZHVECXEXVRRN-OIISXLGYSA-N 2 1 290.407 1.846 40 0 CDABMP Cc1nn(C)c(C)c1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000094010748 377160201 /nfs/dbraw/zinc/16/02/01/377160201.db2.gz XTCWDYJBPJBICZ-UHFFFAOYSA-N 2 1 250.390 1.468 40 0 CDABMP [NH3+]CC(=O)N1CCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079393810 390421554 /nfs/dbraw/zinc/42/15/54/390421554.db2.gz SZWLTWOMXXCKQS-INIZCTEOSA-N 2 1 287.407 1.601 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])C1([NH+]2CCCCC2)CCCC1 ZINC000072210401 390618035 /nfs/dbraw/zinc/61/80/35/390618035.db2.gz CMFGAYWEVGJSQV-ZDUSSCGKSA-N 2 1 268.401 1.923 40 0 CDABMP C[NH+](C)CC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000248102723 391426752 /nfs/dbraw/zinc/42/67/52/391426752.db2.gz IAPFVFBXEYDYTM-HNNXBMFYSA-N 2 1 292.427 1.618 40 0 CDABMP C[N@@H+]1CC[NH2+]C[C@H](Cc2cccc3ncccc23)C1 ZINC000072344401 176373296 /nfs/dbraw/zinc/37/32/96/176373296.db2.gz WGNZOCVLEKSFCF-ZDUSSCGKSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@H+]1CC[NH2+]C[C@H](Cc2cccc3ncccc23)C1 ZINC000072344401 176373297 /nfs/dbraw/zinc/37/32/97/176373297.db2.gz WGNZOCVLEKSFCF-ZDUSSCGKSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000079415184 356993717 /nfs/dbraw/zinc/99/37/17/356993717.db2.gz BNOOOCKULLHMKA-AWEZNQCLSA-N 2 1 261.369 1.068 40 0 CDABMP COc1cccc(C[N@H+]2C[C@H]3OC[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000306135591 374970172 /nfs/dbraw/zinc/97/01/72/374970172.db2.gz OVKBSUNBWPFUHU-USXIJHARSA-N 2 1 290.407 1.704 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000230024290 375299228 /nfs/dbraw/zinc/29/92/28/375299228.db2.gz CXABUZLGGVHQRG-MJBXVCDLSA-N 2 1 269.433 1.706 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)C(C)C)CC1 ZINC000242722743 364572913 /nfs/dbraw/zinc/57/29/13/364572913.db2.gz XTJQBONVYZQROW-IHRRRGAJSA-N 2 1 269.433 1.737 40 0 CDABMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236824950 280140852 /nfs/dbraw/zinc/14/08/52/280140852.db2.gz VSTUWQYRYRQWTI-CYBMUJFWSA-N 2 1 278.400 1.736 40 0 CDABMP CC[NH+]1CCC(CC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000019714173 356496914 /nfs/dbraw/zinc/49/69/14/356496914.db2.gz ONQFJTYLLKRUHX-UHFFFAOYSA-N 2 1 278.400 1.430 40 0 CDABMP CCN(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000079404441 356991300 /nfs/dbraw/zinc/99/13/00/356991300.db2.gz BNANVLOATIXYEH-HOCLYGCPSA-N 2 1 289.423 1.847 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000079415273 356995378 /nfs/dbraw/zinc/99/53/78/356995378.db2.gz WILSUSYHOSOCKQ-INIZCTEOSA-N 2 1 289.423 1.848 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415461 356995679 /nfs/dbraw/zinc/99/56/79/356995679.db2.gz PVIIIXQVYWHOCM-GOEBONIOSA-N 2 1 289.423 1.847 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404394 358069115 /nfs/dbraw/zinc/06/91/15/358069115.db2.gz KHQLSUOAUCYAAW-GXTWGEPZSA-N 2 1 261.369 1.067 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000079407753 358069003 /nfs/dbraw/zinc/06/90/03/358069003.db2.gz HFXAYLSFHRGMQL-OCCSQVGLSA-N 2 1 267.417 1.303 40 0 CDABMP CCn1ncc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1C ZINC000096523669 390537689 /nfs/dbraw/zinc/53/76/89/390537689.db2.gz CMNZCURHQREAKY-ZDUSSCGKSA-N 2 1 250.390 1.643 40 0 CDABMP CCn1ncc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1C ZINC000096523669 390537693 /nfs/dbraw/zinc/53/76/93/390537693.db2.gz CMNZCURHQREAKY-ZDUSSCGKSA-N 2 1 250.390 1.643 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+]2CCCC2)CCCCC1 ZINC000072210450 390618496 /nfs/dbraw/zinc/61/84/96/390618496.db2.gz SOIIHUGLSKYPBS-CYBMUJFWSA-N 2 1 268.401 1.923 40 0 CDABMP C[NH2+]CCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000008376966 170333902 /nfs/dbraw/zinc/33/39/02/170333902.db2.gz QQDMSSMWZWBDSJ-UHFFFAOYSA-N 2 1 268.357 1.412 40 0 CDABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CCO)n1 ZINC000072355527 176375319 /nfs/dbraw/zinc/37/53/19/176375319.db2.gz COXASHUOGSTTTM-CQSZACIVSA-N 2 1 272.352 1.705 40 0 CDABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072355527 176375321 /nfs/dbraw/zinc/37/53/21/176375321.db2.gz COXASHUOGSTTTM-CQSZACIVSA-N 2 1 272.352 1.705 40 0 CDABMP Cc1[nH+]ccn1-c1nccnc1C1CC[NH+](C)CC1 ZINC000072350492 282200905 /nfs/dbraw/zinc/20/09/05/282200905.db2.gz ZJPVZBFCBUKUIS-UHFFFAOYSA-N 2 1 257.341 1.780 40 0 CDABMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547492 /nfs/dbraw/zinc/54/74/92/344547492.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 2 1 271.405 1.347 40 0 CDABMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547493 /nfs/dbraw/zinc/54/74/93/344547493.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 2 1 271.405 1.347 40 0 CDABMP CC[NH+]1CC[C@@H]([N@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547494 /nfs/dbraw/zinc/54/74/94/344547494.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 2 1 271.405 1.347 40 0 CDABMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOC(=O)N(C)C)[C@H](C)C1 ZINC000159212681 344547495 /nfs/dbraw/zinc/54/74/95/344547495.db2.gz BKNBIUSEBXQMSH-CHWSQXEVSA-N 2 1 271.405 1.347 40 0 CDABMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000019288273 356479535 /nfs/dbraw/zinc/47/95/35/356479535.db2.gz XKWJDKBGBDOFJF-AWEZNQCLSA-N 2 1 270.336 1.871 40 0 CDABMP CN(CC[NH3+])C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393567 356989262 /nfs/dbraw/zinc/98/92/62/356989262.db2.gz QELIUXPIXHOTPY-INIZCTEOSA-N 2 1 261.413 1.789 40 0 CDABMP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404437 356991391 /nfs/dbraw/zinc/99/13/91/356991391.db2.gz YTKGBOYCSMWFEA-DZGCQCFKSA-N 2 1 275.396 1.457 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079424360 356996657 /nfs/dbraw/zinc/99/66/57/356996657.db2.gz FPFBIHLEISCWHK-UHFFFAOYSA-N 2 1 289.423 1.847 40 0 CDABMP CCn1ncc(C[N@@H+](C)CC2CC[NH2+]CC2)c1C ZINC000096523715 390537781 /nfs/dbraw/zinc/53/77/81/390537781.db2.gz WFULAKVHZPTHLB-UHFFFAOYSA-N 2 1 250.390 1.643 40 0 CDABMP COc1ccc(C[C@@H]2C[N@H+](C)CC[C@H]2[NH3+])c(OC)c1OC ZINC000242390239 392694275 /nfs/dbraw/zinc/69/42/75/392694275.db2.gz AGGSXHAAIPDJDW-CHWSQXEVSA-N 2 1 294.395 1.534 40 0 CDABMP COc1ccc(C[C@@H]2C[N@@H+](C)CC[C@H]2[NH3+])c(OC)c1OC ZINC000242390239 392694283 /nfs/dbraw/zinc/69/42/83/392694283.db2.gz AGGSXHAAIPDJDW-CHWSQXEVSA-N 2 1 294.395 1.534 40 0 CDABMP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH2+]C2)OC1 ZINC000585105079 342212951 /nfs/dbraw/zinc/21/29/51/342212951.db2.gz OXSCRMXFKRBJOX-CQSZACIVSA-N 2 1 261.369 1.282 40 0 CDABMP [NH3+]CC(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391042 356988000 /nfs/dbraw/zinc/98/80/00/356988000.db2.gz MCYTZZHGCVVNPH-HNNXBMFYSA-N 2 1 287.407 1.458 40 0 CDABMP CC[N@@H+](CCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393510 356988944 /nfs/dbraw/zinc/98/89/44/356988944.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](CCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393510 356988947 /nfs/dbraw/zinc/98/89/47/356988947.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](CCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393510 356988951 /nfs/dbraw/zinc/98/89/51/356988951.db2.gz WFRSMUFCVDJMKR-MRXNPFEDSA-N 2 1 262.397 1.823 40 0 CDABMP C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404380 356990810 /nfs/dbraw/zinc/99/08/10/356990810.db2.gz WCCKHYZJOMZFRG-ZFWWWQNUSA-N 2 1 275.396 1.362 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415452 356995592 /nfs/dbraw/zinc/99/55/92/356995592.db2.gz UHAUMLHFWZMALZ-GOEBONIOSA-N 2 1 289.423 1.704 40 0 CDABMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@H](C)C1 ZINC000131012706 374419954 /nfs/dbraw/zinc/41/99/54/374419954.db2.gz PHRYXUSUVCPLHH-ZIAGYGMSSA-N 2 1 298.427 1.276 40 0 CDABMP Cn1ccnc1C[N@H+]1CCC[C@H](CC[NH+](C)C)C1 ZINC000257295387 190028343 /nfs/dbraw/zinc/02/83/43/190028343.db2.gz QYCKYXJXCLPRAI-CYBMUJFWSA-N 2 1 250.390 1.584 40 0 CDABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000044910137 175275532 /nfs/dbraw/zinc/27/55/32/175275532.db2.gz GMKRGFSHTGRWNS-UHFFFAOYSA-N 2 1 286.379 1.531 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCC[N@@H+](C)C1 ZINC000079426685 280271381 /nfs/dbraw/zinc/27/13/81/280271381.db2.gz YAMGVSKORIPUEJ-OLZOCXBDSA-N 2 1 255.406 1.301 40 0 CDABMP [NH3+]CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404297 356991505 /nfs/dbraw/zinc/99/15/05/356991505.db2.gz NIBGJGRALHGNIQ-INIZCTEOSA-N 2 1 287.407 1.601 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC1 ZINC000079419678 356994995 /nfs/dbraw/zinc/99/49/95/356994995.db2.gz KADWGGGIEDKWBM-IHRRRGAJSA-N 2 1 267.417 1.491 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC000079415384 356995433 /nfs/dbraw/zinc/99/54/33/356995433.db2.gz GQXMBPXAJSCSAO-GOEBONIOSA-N 2 1 289.423 1.704 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)C2CC2)CC1 ZINC000100177611 358642654 /nfs/dbraw/zinc/64/26/54/358642654.db2.gz UDUWAYCDQYFANT-SCRDCRAPSA-N 2 1 267.417 1.491 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)C[NH3+])CC1 ZINC000100178275 358643477 /nfs/dbraw/zinc/64/34/77/358643477.db2.gz NRVJIGPEPQOZII-GASCZTMLSA-N 2 1 275.396 1.505 40 0 CDABMP C[C@@H]1CCCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000225772574 375202297 /nfs/dbraw/zinc/20/22/97/375202297.db2.gz GSWPIKPDAOVEGS-CQSZACIVSA-N 2 1 267.417 1.273 40 0 CDABMP C[C@@H]1CCCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000225772574 375202301 /nfs/dbraw/zinc/20/23/01/375202301.db2.gz GSWPIKPDAOVEGS-CQSZACIVSA-N 2 1 267.417 1.273 40 0 CDABMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[C@]2(C[NH2+]CCOC2)O1 ZINC000096160642 390947523 /nfs/dbraw/zinc/94/75/23/390947523.db2.gz ATCPTTQXVGVUEM-JKSUJKDBSA-N 2 1 291.395 1.051 40 0 CDABMP C[N@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)C[NH+]1CCCCC1 ZINC000257318771 391649940 /nfs/dbraw/zinc/64/99/40/391649940.db2.gz VPGKCNWQLUTTQH-RDJZCZTQSA-N 2 1 293.455 1.948 40 0 CDABMP C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404351 356991033 /nfs/dbraw/zinc/99/10/33/356991033.db2.gz FDAVDUMHZCEFPC-GXTWGEPZSA-N 2 1 261.369 1.114 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCCCCC1 ZINC000026439595 391105740 /nfs/dbraw/zinc/10/57/40/391105740.db2.gz ZCOULDBNTPTGPS-AWEZNQCLSA-N 2 1 269.433 1.709 40 0 CDABMP CC[N@@H+](CCNC(=O)N(C)CC1CC[NH+](C)CC1)C(C)C ZINC000078441865 177341893 /nfs/dbraw/zinc/34/18/93/177341893.db2.gz IPFGRNXNXCFDPB-UHFFFAOYSA-N 2 1 298.475 1.700 40 0 CDABMP CC(C)N(CC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393603 356989143 /nfs/dbraw/zinc/98/91/43/356989143.db2.gz VGOUQMHKGQKVRP-MRXNPFEDSA-N 2 1 261.413 1.930 40 0 CDABMP C[C@H]([NH3+])C(=O)NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000079415399 356995490 /nfs/dbraw/zinc/99/54/90/356995490.db2.gz AVBMFYNMCVGMCZ-JEYLPNPQSA-N 2 1 289.423 1.893 40 0 CDABMP COc1ccc2cc(C[NH2+]CCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000004132834 363192999 /nfs/dbraw/zinc/19/29/99/363192999.db2.gz NAOUOTXZYGONNX-UHFFFAOYSA-N 2 1 289.379 1.578 40 0 CDABMP CC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000001722911 355949569 /nfs/dbraw/zinc/94/95/69/355949569.db2.gz WUZZGEOZQYQDRK-SECBINFHSA-N 2 1 251.721 1.526 40 0 CDABMP O=c1[nH]c([C@H]2CC[NH2+]C2)nc2c1CC[N@H+](C1CCCC1)C2 ZINC000257335472 374421620 /nfs/dbraw/zinc/42/16/20/374421620.db2.gz YKGNIHMLFPJZHF-NSHDSACASA-N 2 1 288.395 1.560 40 0 CDABMP C[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101674794 342558295 /nfs/dbraw/zinc/55/82/95/342558295.db2.gz IVYFRJJQWNLGJP-CABCVRRESA-N 2 1 275.396 1.505 40 0 CDABMP C[NH+](C)CCO[C@H]1C[N@@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057458 282109751 /nfs/dbraw/zinc/10/97/51/282109751.db2.gz LYWUZFGUCGHDEK-ILXRZTDVSA-N 2 1 268.401 1.206 40 0 CDABMP [NH3+]CC(=O)N(C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404293 356991168 /nfs/dbraw/zinc/99/11/68/356991168.db2.gz NIBGJGRALHGNIQ-MRXNPFEDSA-N 2 1 287.407 1.601 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404412 356991263 /nfs/dbraw/zinc/99/12/63/356991263.db2.gz CDRBADUMCKUHRH-DZGCQCFKSA-N 2 1 275.396 1.457 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415372 356995391 /nfs/dbraw/zinc/99/53/91/356995391.db2.gz HTQJBDSJAJZALQ-GOEBONIOSA-N 2 1 289.423 1.847 40 0 CDABMP C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000079415342 390421365 /nfs/dbraw/zinc/42/13/65/390421365.db2.gz HHYJJFBHESCDTQ-DZGCQCFKSA-N 2 1 275.396 1.457 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCCCCC1 ZINC000026439591 391106154 /nfs/dbraw/zinc/10/61/54/391106154.db2.gz ZCOULDBNTPTGPS-CQSZACIVSA-N 2 1 269.433 1.709 40 0 CDABMP CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424716 391190375 /nfs/dbraw/zinc/19/03/75/391190375.db2.gz VOJUROBBYILNPW-BRWVUGGUSA-N 2 1 298.471 1.705 40 0 CDABMP CC[C@@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424716 391190377 /nfs/dbraw/zinc/19/03/77/391190377.db2.gz VOJUROBBYILNPW-BRWVUGGUSA-N 2 1 298.471 1.705 40 0 CDABMP Cc1ccc([C@]2(C)NC(=[NH2+])NC(=[NH2+])N2c2ccccc2)o1 ZINC000054363794 281007708 /nfs/dbraw/zinc/00/77/08/281007708.db2.gz URHNXRBCBRBQQS-OAHLLOKOSA-N 2 1 283.335 1.910 40 0 CDABMP C[N@H+](Cc1ccccc1)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079414536 356993573 /nfs/dbraw/zinc/99/35/73/356993573.db2.gz LUWJHNCGBWFZBX-MRXNPFEDSA-N 2 1 261.413 1.789 40 0 CDABMP C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096224798 358723247 /nfs/dbraw/zinc/72/32/47/358723247.db2.gz NFFNJJHRRGFYFP-GFCCVEGCSA-N 2 1 281.425 1.828 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000026439564 391105788 /nfs/dbraw/zinc/10/57/88/391105788.db2.gz MNFVVDCATODWRQ-STQMWFEESA-N 2 1 255.406 1.317 40 0 CDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096056481 289151658 /nfs/dbraw/zinc/15/16/58/289151658.db2.gz PQBWMHQBQAISKO-ZIAGYGMSSA-N 2 1 265.401 1.023 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051917 185074156 /nfs/dbraw/zinc/07/41/56/185074156.db2.gz OEOZLFWSQPTAQX-GOEBONIOSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051917 185074157 /nfs/dbraw/zinc/07/41/57/185074157.db2.gz OEOZLFWSQPTAQX-GOEBONIOSA-N 2 1 294.395 1.449 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000079414576 356993492 /nfs/dbraw/zinc/99/34/92/356993492.db2.gz YOJPKTPEYOXWLK-INIZCTEOSA-N 2 1 261.413 1.789 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)C[NH3+] ZINC000079415275 356995257 /nfs/dbraw/zinc/99/52/57/356995257.db2.gz WILSUSYHOSOCKQ-MRXNPFEDSA-N 2 1 289.423 1.848 40 0 CDABMP Cc1n[nH]cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000078552943 177353280 /nfs/dbraw/zinc/35/32/80/177353280.db2.gz GDTSVSZLTDPDLP-UHFFFAOYSA-N 2 1 279.432 1.081 40 0 CDABMP c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@@H]2[NH2+]C[C@H]1CCCO1 ZINC000096062808 304858951 /nfs/dbraw/zinc/85/89/51/304858951.db2.gz ZHPMTRBAPZZNGH-IPOQPSJVSA-N 2 1 258.365 1.813 40 0 CDABMP C[NH+](C)C[C@]12COC[C@H]1C[N@H+](Cc1cccs1)C2 ZINC000096108237 185100279 /nfs/dbraw/zinc/10/02/79/185100279.db2.gz XAQWLYKKNHROCO-OCCSQVGLSA-N 2 1 266.410 1.758 40 0 CDABMP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000096108237 185100281 /nfs/dbraw/zinc/10/02/81/185100281.db2.gz XAQWLYKKNHROCO-OCCSQVGLSA-N 2 1 266.410 1.758 40 0 CDABMP CC(C)C[NH2+]C1(Cc2cc(C[NH+](C)C)on2)COC1 ZINC000067897801 377285807 /nfs/dbraw/zinc/28/58/07/377285807.db2.gz XBASEFVFRBITOS-UHFFFAOYSA-N 2 1 267.373 1.293 40 0 biogenic,in-vitro CDABMP C[NH+]1CCN(c2ncccc2[C@H]2CCCC[N@H+]2C)CC1 ZINC000072216597 390622173 /nfs/dbraw/zinc/62/21/73/390622173.db2.gz DRDZMYRORBTDAE-OAHLLOKOSA-N 2 1 274.412 1.990 40 0 CDABMP C[C@H]1CCN(C)CC[N@@H+](C)[C@@H](C)CCN(C)CC[NH+]1C ZINC000226642863 392005308 /nfs/dbraw/zinc/00/53/08/392005308.db2.gz OMMPWWHFHXHTRC-HOTGVXAUSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@H]1CC[NH+](C)CCN(C)[C@@H](C)CC[N@H+](C)CCN1C ZINC000226642863 392005315 /nfs/dbraw/zinc/00/53/15/392005315.db2.gz OMMPWWHFHXHTRC-HOTGVXAUSA-N 2 1 284.492 1.284 40 0 CDABMP C[C@H]1CC[NH+](C)CCN(C)[C@@H](C)CC[N@@H+](C)CCN1C ZINC000226642863 392005321 /nfs/dbraw/zinc/00/53/21/392005321.db2.gz OMMPWWHFHXHTRC-HOTGVXAUSA-N 2 1 284.492 1.284 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415248 356994633 /nfs/dbraw/zinc/99/46/33/356994633.db2.gz GMQWMYWSSNFBEC-HNNXBMFYSA-N 2 1 275.396 1.316 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000079407736 390421148 /nfs/dbraw/zinc/42/11/48/390421148.db2.gz HSYLAXVJVBRMEE-OLZOCXBDSA-N 2 1 253.390 1.055 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000079419579 390421682 /nfs/dbraw/zinc/42/16/82/390421682.db2.gz MJAABYHLZCPPIW-STQMWFEESA-N 2 1 255.406 1.158 40 0 CDABMP Cc1nn(C)c(C)c1C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000096523674 390537600 /nfs/dbraw/zinc/53/76/00/390537600.db2.gz OTTVSLFTPORGKR-CYBMUJFWSA-N 2 1 250.390 1.468 40 0 CDABMP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000096523674 390537603 /nfs/dbraw/zinc/53/76/03/390537603.db2.gz OTTVSLFTPORGKR-CYBMUJFWSA-N 2 1 250.390 1.468 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096078527 398070444 /nfs/dbraw/zinc/07/04/44/398070444.db2.gz WBZVGICNINLORA-CVEARBPZSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096078527 398070446 /nfs/dbraw/zinc/07/04/46/398070446.db2.gz WBZVGICNINLORA-CVEARBPZSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000096056206 185077238 /nfs/dbraw/zinc/07/72/38/185077238.db2.gz XKAOEIOBPKMTDG-BMFZPTHFSA-N 2 1 275.396 1.480 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)C(C)C)C1 ZINC000079419576 356995130 /nfs/dbraw/zinc/99/51/30/356995130.db2.gz MJAABYHLZCPPIW-OLZOCXBDSA-N 2 1 255.406 1.158 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](C)C(C)C ZINC000079419611 356995558 /nfs/dbraw/zinc/99/55/58/356995558.db2.gz SKLYRXLGFFAHCD-IHRRRGAJSA-N 2 1 269.433 1.737 40 0 CDABMP COc1ccc(C[C@@H]2C[N@H+](C)CC[C@@H]2[NH3+])c(OC)c1OC ZINC000242390240 392693900 /nfs/dbraw/zinc/69/39/00/392693900.db2.gz AGGSXHAAIPDJDW-OLZOCXBDSA-N 2 1 294.395 1.534 40 0 CDABMP COc1ccc(C[C@@H]2C[N@@H+](C)CC[C@@H]2[NH3+])c(OC)c1OC ZINC000242390240 392693904 /nfs/dbraw/zinc/69/39/04/392693904.db2.gz AGGSXHAAIPDJDW-OLZOCXBDSA-N 2 1 294.395 1.534 40 0 CDABMP c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1[C@H]2[NH2+]C[C@H]1CCCO1 ZINC000096062809 358707233 /nfs/dbraw/zinc/70/72/33/358707233.db2.gz ZHPMTRBAPZZNGH-MEYUZBJRSA-N 2 1 258.365 1.813 40 0 CDABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH2+]CC2 ZINC000306130365 374968449 /nfs/dbraw/zinc/96/84/49/374968449.db2.gz JDVZSWDXALIMCP-OAHLLOKOSA-N 2 1 275.396 1.672 40 0 CDABMP [NH3+]CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404305 356990584 /nfs/dbraw/zinc/99/05/84/356990584.db2.gz WPGILYVLSSJLMQ-OAHLLOKOSA-N 2 1 287.407 1.458 40 0 CDABMP [NH3+]CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079404110 358068818 /nfs/dbraw/zinc/06/88/18/358068818.db2.gz CHSRVIMTHWTFTE-CQSZACIVSA-N 2 1 261.369 1.116 40 0 CDABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)C[NH3+] ZINC000079415309 390421171 /nfs/dbraw/zinc/42/11/71/390421171.db2.gz ITJOLDJGJYZJFD-INIZCTEOSA-N 2 1 289.423 1.847 40 0 CDABMP [NH3+][C@@H]1CC[C@H](C[N@H+]2Cc3ccccc3NC(=O)C2)C1 ZINC000903463727 625996326 /nfs/dbraw/zinc/99/63/26/625996326.db2.gz KKEQVEAIQQUXGB-WCQYABFASA-N 2 1 259.353 1.568 40 0 CDABMP C[N@H+](Cc1cccnc1)C[C@H]1CC[C@@]2(C[NH2+]CCOC2)O1 ZINC000248007214 362143922 /nfs/dbraw/zinc/14/39/22/362143922.db2.gz ATCPTTQXVGVUEM-CVEARBPZSA-N 2 1 291.395 1.051 40 0 CDABMP [NH3+]CC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391044 356988631 /nfs/dbraw/zinc/98/86/31/356988631.db2.gz SXQUPPKJTQSBEQ-MRXNPFEDSA-N 2 1 287.407 1.601 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404645 356990507 /nfs/dbraw/zinc/99/05/07/356990507.db2.gz WBPPPFVISLBPTQ-CVEARBPZSA-N 2 1 289.423 1.703 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404606 356991091 /nfs/dbraw/zinc/99/10/91/356991091.db2.gz POTNTNYJJFONTH-HOTGVXAUSA-N 2 1 289.423 1.608 40 0 CDABMP c1cnn(C[C@@H]2C[C@@H]3C[NH2+]CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC000306144542 374972431 /nfs/dbraw/zinc/97/24/31/374972431.db2.gz ZIEGDECYALJCFM-ILXRZTDVSA-N 2 1 260.385 1.346 40 0 CDABMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000078499881 177347533 /nfs/dbraw/zinc/34/75/33/177347533.db2.gz GSXHVJNJVVXWER-HNNXBMFYSA-N 2 1 297.443 1.088 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414631 356993540 /nfs/dbraw/zinc/99/35/40/356993540.db2.gz OJAFGUFLTDSKFF-MRXNPFEDSA-N 2 1 261.413 1.930 40 0 CDABMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@H](C)C1 ZINC000131012502 374419505 /nfs/dbraw/zinc/41/95/05/374419505.db2.gz PHRYXUSUVCPLHH-KGLIPLIRSA-N 2 1 298.427 1.276 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@H+]1C)C(C)C ZINC000079407674 390421804 /nfs/dbraw/zinc/42/18/04/390421804.db2.gz QZAGKHDAUDASEO-OLZOCXBDSA-N 2 1 255.406 1.301 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])[C@H](C(C)C)[NH+]1CCCCC1 ZINC000072210505 390618641 /nfs/dbraw/zinc/61/86/41/390618641.db2.gz WNDMCPZMRMMPIE-STQMWFEESA-N 2 1 256.390 1.635 40 0 CDABMP CN(C)c1cc(C[NH+](C)C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072352025 176374377 /nfs/dbraw/zinc/37/43/77/176374377.db2.gz OALCXHBFWSMOFH-GFCCVEGCSA-N 2 1 277.416 1.413 40 0 CDABMP C[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096100353 185097933 /nfs/dbraw/zinc/09/79/33/185097933.db2.gz OJJMXDMNLZPJHX-BZPMIXESSA-N 2 1 266.410 1.899 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000230024307 375298774 /nfs/dbraw/zinc/29/87/74/375298774.db2.gz KXJXPBGNJQXIQU-MCIONIFRSA-N 2 1 269.433 1.421 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])C1([NH+](CC)CC)CCCC1 ZINC000072210397 390618000 /nfs/dbraw/zinc/61/80/00/390618000.db2.gz DIUYJQGMPOMNQA-GFCCVEGCSA-N 2 1 256.390 1.779 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051918 390912231 /nfs/dbraw/zinc/91/22/31/390912231.db2.gz OEOZLFWSQPTAQX-GDBMZVCRSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051918 390912232 /nfs/dbraw/zinc/91/22/32/390912232.db2.gz OEOZLFWSQPTAQX-GDBMZVCRSA-N 2 1 294.395 1.449 40 0 CDABMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000078499878 177347558 /nfs/dbraw/zinc/34/75/58/177347558.db2.gz GSXHVJNJVVXWER-OAHLLOKOSA-N 2 1 297.443 1.088 40 0 CDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000096052270 185074103 /nfs/dbraw/zinc/07/41/03/185074103.db2.gz GDBFNEDONSWOJO-HZPDHXFCSA-N 2 1 294.395 1.591 40 0 CDABMP C[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000096052270 185074105 /nfs/dbraw/zinc/07/41/05/185074105.db2.gz GDBFNEDONSWOJO-HZPDHXFCSA-N 2 1 294.395 1.591 40 0 CDABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH2+]CC2 ZINC000585102662 342212570 /nfs/dbraw/zinc/21/25/70/342212570.db2.gz AFZSCHZHIBOZPQ-ZDUSSCGKSA-N 2 1 264.369 1.728 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000079407684 356990939 /nfs/dbraw/zinc/99/09/39/356990939.db2.gz PQAYVJPHLNGMAE-OLZOCXBDSA-N 2 1 255.406 1.158 40 0 CDABMP Cc1[nH+]cc(CN(CCO)Cc2cccs2)n1C ZINC000013997509 366505721 /nfs/dbraw/zinc/50/57/21/366505721.db2.gz FJAPOIDHQUUUJJ-UHFFFAOYSA-N 2 1 265.382 1.785 40 0 CDABMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH2+]CC2 ZINC000306128280 374968035 /nfs/dbraw/zinc/96/80/35/374968035.db2.gz GVXWWIGFRLUBFA-HNNXBMFYSA-N 2 1 282.428 1.504 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])[C@H](C(C)C)[NH+]1CCCCC1 ZINC000072210506 390618167 /nfs/dbraw/zinc/61/81/67/390618167.db2.gz WNDMCPZMRMMPIE-OLZOCXBDSA-N 2 1 256.390 1.635 40 0 CDABMP O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH2+]C1 ZINC000005480375 170103358 /nfs/dbraw/zinc/10/33/58/170103358.db2.gz MANDDTJKNPGWKZ-ILXRZTDVSA-N 2 1 280.412 1.794 40 0 CDABMP c1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)ccn1 ZINC000096240065 265346221 /nfs/dbraw/zinc/34/62/21/265346221.db2.gz XAXWWRMEWBVMPM-UHFFFAOYSA-N 2 1 261.369 1.284 40 0 CDABMP Cc1ccc2[nH]c(=O)c(C[NH2+]CCC[NH+](C)C)cc2c1 ZINC000004132825 356020230 /nfs/dbraw/zinc/02/02/30/356020230.db2.gz LTDHDTYCOBTQDU-UHFFFAOYSA-N 2 1 273.380 1.878 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404547 356991432 /nfs/dbraw/zinc/99/14/32/356991432.db2.gz FLQIYJMLFSGQTA-BBRMVZONSA-N 2 1 287.407 1.599 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415253 356995011 /nfs/dbraw/zinc/99/50/11/356995011.db2.gz GMQWMYWSSNFBEC-OAHLLOKOSA-N 2 1 275.396 1.316 40 0 CDABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)CC1 ZINC000049168807 424366260 /nfs/dbraw/zinc/36/62/60/424366260.db2.gz YVGNPLMJQXRLPO-LBPRGKRZSA-N 2 1 285.395 1.841 40 0 biogenic,in-vitro CDABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)CC1 ZINC000049168807 424366270 /nfs/dbraw/zinc/36/62/70/424366270.db2.gz YVGNPLMJQXRLPO-LBPRGKRZSA-N 2 1 285.395 1.841 40 0 biogenic,in-vitro CDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000096052271 185074246 /nfs/dbraw/zinc/07/42/46/185074246.db2.gz GDBFNEDONSWOJO-HOTGVXAUSA-N 2 1 294.395 1.591 40 0 CDABMP C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000096052271 185074247 /nfs/dbraw/zinc/07/42/47/185074247.db2.gz GDBFNEDONSWOJO-HOTGVXAUSA-N 2 1 294.395 1.591 40 0 CDABMP C[N@@H+](CCO)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393502 356989827 /nfs/dbraw/zinc/98/98/27/356989827.db2.gz HRAQCAJWDPPYSO-UHFFFAOYSA-N 2 1 262.397 1.823 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415420 356994723 /nfs/dbraw/zinc/99/47/23/356994723.db2.gz CUEGXVIPFGXYJP-NUEKZKHPSA-N 2 1 289.423 1.893 40 0 CDABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000037028193 367279584 /nfs/dbraw/zinc/27/95/84/367279584.db2.gz XKZKAPZLJSQVNX-CABCVRRESA-N 2 1 275.396 1.360 40 0 CDABMP C[C@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000026439560 391106124 /nfs/dbraw/zinc/10/61/24/391106124.db2.gz MNFVVDCATODWRQ-OLZOCXBDSA-N 2 1 255.406 1.317 40 0 CDABMP Cn1cccc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC000096240063 393010121 /nfs/dbraw/zinc/01/01/21/393010121.db2.gz OTRMEPZFGDVYDV-UHFFFAOYSA-N 2 1 263.385 1.227 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000004969414 287023443 /nfs/dbraw/zinc/02/34/43/287023443.db2.gz KXJXPBGNJQXIQU-HZSPNIEDSA-N 2 1 269.433 1.421 40 0 CDABMP C[N@@H+](Cc1ccccc1)C1CCN(C(=O)C[NH3+])CC1 ZINC000079415188 356993131 /nfs/dbraw/zinc/99/31/31/356993131.db2.gz YPGYCYVHDNITFH-UHFFFAOYSA-N 2 1 261.369 1.068 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000026439553 296122303 /nfs/dbraw/zinc/12/23/03/296122303.db2.gz MNFVVDCATODWRQ-CHWSQXEVSA-N 2 1 255.406 1.317 40 0 CDABMP COc1cc(OC)c2[nH+]c(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000032500244 274098026 /nfs/dbraw/zinc/09/80/26/274098026.db2.gz XMTPUMACPHEISY-UHFFFAOYSA-N 2 1 287.363 1.970 40 0 CDABMP CO[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CC[C@@]12CCCO2 ZINC000257316262 277343868 /nfs/dbraw/zinc/34/38/68/277343868.db2.gz VEVSPAJAFPLURR-GJZGRUSLSA-N 2 1 268.401 1.351 40 0 CDABMP CO[C@H]1C[N@H+](C2CC[NH+](C)CC2)CC[C@@]12CCCO2 ZINC000257316262 277343870 /nfs/dbraw/zinc/34/38/70/277343870.db2.gz VEVSPAJAFPLURR-GJZGRUSLSA-N 2 1 268.401 1.351 40 0 CDABMP CCN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])C(C)C ZINC000079407621 285083470 /nfs/dbraw/zinc/08/34/70/285083470.db2.gz GNJXIKOTGSOKCM-STQMWFEESA-N 2 1 255.406 1.160 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415435 276142338 /nfs/dbraw/zinc/14/23/38/276142338.db2.gz BDCXFJSOHIWZJA-ZFWWWQNUSA-N 2 1 275.396 1.457 40 0 CDABMP C1CC[NH+](C2CC[NH+]([C@H]3COC4(C3)CC[NH2+]CC4)CC2)C1 ZINC000024523099 356656754 /nfs/dbraw/zinc/65/67/54/356656754.db2.gz SLHBNHDKMKNOGN-MRXNPFEDSA-N 3 1 293.455 1.458 40 0 CDABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415509 356994652 /nfs/dbraw/zinc/99/46/52/356994652.db2.gz DKEAUQXYWFHRRV-HOCLYGCPSA-N 2 1 289.423 1.845 40 0 CDABMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@@H]3C[NH+](C)C)C2)n1 ZINC000096187306 358715071 /nfs/dbraw/zinc/71/50/71/358715071.db2.gz NESUYBNHTHSYPB-DJIMGWMZSA-N 2 1 289.423 1.789 40 0 CDABMP CCN(C(=O)C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404181 276061073 /nfs/dbraw/zinc/06/10/73/276061073.db2.gz SLSGVCNCZMADIW-CQSZACIVSA-N 2 1 261.369 1.068 40 0 CDABMP COc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)cc1 ZINC000096108243 185099339 /nfs/dbraw/zinc/09/93/39/185099339.db2.gz VYHWQYDFPZAWQM-WBVHZDCISA-N 2 1 290.407 1.705 40 0 CDABMP COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)cc1 ZINC000096108243 185099341 /nfs/dbraw/zinc/09/93/41/185099341.db2.gz VYHWQYDFPZAWQM-WBVHZDCISA-N 2 1 290.407 1.705 40 0 CDABMP C1CC[NH+](C2CC[NH+]([C@@H]3COC4(C3)CC[NH2+]CC4)CC2)C1 ZINC000024523096 356656981 /nfs/dbraw/zinc/65/69/81/356656981.db2.gz SLHBNHDKMKNOGN-INIZCTEOSA-N 3 1 293.455 1.458 40 0 CDABMP [NH3+]CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404301 356991378 /nfs/dbraw/zinc/99/13/78/356991378.db2.gz WPGILYVLSSJLMQ-HNNXBMFYSA-N 2 1 287.407 1.458 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000242400350 364514322 /nfs/dbraw/zinc/51/43/22/364514322.db2.gz AVBMFYNMCVGMCZ-BPUTZDHNSA-N 2 1 289.423 1.893 40 0 CDABMP Cc1nn(C)cc1C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000096523713 390537815 /nfs/dbraw/zinc/53/78/15/390537815.db2.gz JKYOZRDYDLWRCY-CYBMUJFWSA-N 2 1 250.390 1.550 40 0 CDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccco3)C2)O1 ZINC000096052272 185074923 /nfs/dbraw/zinc/07/49/23/185074923.db2.gz GDBFNEDONSWOJO-CVEARBPZSA-N 2 1 294.395 1.591 40 0 CDABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccco3)C2)O1 ZINC000096052272 185074924 /nfs/dbraw/zinc/07/49/24/185074924.db2.gz GDBFNEDONSWOJO-CVEARBPZSA-N 2 1 294.395 1.591 40 0 CDABMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3CC3)CC2)C1 ZINC000156170739 188246530 /nfs/dbraw/zinc/24/65/30/188246530.db2.gz SOKBCLLBRVHMEP-MRXNPFEDSA-N 2 1 281.444 1.123 40 0 CDABMP CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCO)C1 ZINC000079414190 356993416 /nfs/dbraw/zinc/99/34/16/356993416.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCO)C1 ZINC000079414190 356993418 /nfs/dbraw/zinc/99/34/18/356993418.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](CCO)C1 ZINC000079414190 356993424 /nfs/dbraw/zinc/99/34/24/356993424.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414190 356993426 /nfs/dbraw/zinc/99/34/26/356993426.db2.gz BJKGRXLGDNZUTM-INIZCTEOSA-N 2 1 262.397 1.823 40 0 CDABMP COc1cccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000096158869 358710147 /nfs/dbraw/zinc/71/01/47/358710147.db2.gz LKKYXYUAFOMDPG-UHFFFAOYSA-N 2 1 276.380 1.650 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])[C@@](C)(CC)[NH+]1CCCCC1 ZINC000072210439 390618535 /nfs/dbraw/zinc/61/85/35/390618535.db2.gz UNZPUEORNMWUBR-GXTWGEPZSA-N 2 1 256.390 1.779 40 0 CDABMP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)C2CCCC2)CC1 ZINC000330033218 277088911 /nfs/dbraw/zinc/08/89/11/277088911.db2.gz XOCAXIQLCWVNRV-UHFFFAOYSA-N 2 1 279.428 1.558 40 0 CDABMP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000330033218 277088912 /nfs/dbraw/zinc/08/89/12/277088912.db2.gz XOCAXIQLCWVNRV-UHFFFAOYSA-N 2 1 279.428 1.558 40 0 CDABMP C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404403 356991475 /nfs/dbraw/zinc/99/14/75/356991475.db2.gz IAHFZJAOBAGHAO-DZGCQCFKSA-N 2 1 275.396 1.457 40 0 CDABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096206890 358719971 /nfs/dbraw/zinc/71/99/71/358719971.db2.gz KBNMEOLDUCQEMX-UKRRQHHQSA-N 2 1 264.369 1.965 40 0 CDABMP C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096224799 358722798 /nfs/dbraw/zinc/72/27/98/358722798.db2.gz NFFNJJHRRGFYFP-LBPRGKRZSA-N 2 1 281.425 1.828 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])C1([NH+]2CCCC2)CCCCC1 ZINC000072210451 390618548 /nfs/dbraw/zinc/61/85/48/390618548.db2.gz SOIIHUGLSKYPBS-ZDUSSCGKSA-N 2 1 268.401 1.923 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096078526 398070414 /nfs/dbraw/zinc/07/04/14/398070414.db2.gz WBZVGICNINLORA-HOTGVXAUSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096078526 398070416 /nfs/dbraw/zinc/07/04/16/398070416.db2.gz WBZVGICNINLORA-HOTGVXAUSA-N 2 1 294.395 1.449 40 0 CDABMP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072355463 176374963 /nfs/dbraw/zinc/37/49/63/176374963.db2.gz JLIAPWSQPCKOQI-GFCCVEGCSA-N 2 1 257.341 1.780 40 0 CDABMP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072355463 176374965 /nfs/dbraw/zinc/37/49/65/176374965.db2.gz JLIAPWSQPCKOQI-GFCCVEGCSA-N 2 1 257.341 1.780 40 0 CDABMP COc1ccccc1N1C(=[NH2+])NC(=[NH2+])N[C@H]1c1ccccc1 ZINC000003075957 274158429 /nfs/dbraw/zinc/15/84/29/274158429.db2.gz GDRRQSFYFISYHS-CQSZACIVSA-N 2 1 295.346 1.843 40 0 CDABMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCc3cc(F)ccc3C2)C1 ZINC000923373017 618323383 /nfs/dbraw/zinc/32/33/83/618323383.db2.gz LUDVAFUNVRLJRI-IHRRRGAJSA-N 2 1 250.317 1.034 40 0 CDABMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCc3cc(F)ccc3C2)C1 ZINC000923373017 618323388 /nfs/dbraw/zinc/32/33/88/618323388.db2.gz LUDVAFUNVRLJRI-IHRRRGAJSA-N 2 1 250.317 1.034 40 0 CDABMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)[C@H](C)C1 ZINC000158168954 188361597 /nfs/dbraw/zinc/36/15/97/188361597.db2.gz WMZPXJDZGQYJMN-DJIMGWMZSA-N 2 1 276.424 1.910 40 0 CDABMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)[NH3+])C1 ZINC000079415449 356994537 /nfs/dbraw/zinc/99/45/37/356994537.db2.gz UHAUMLHFWZMALZ-HOCLYGCPSA-N 2 1 289.423 1.704 40 0 CDABMP C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000079415425 356995462 /nfs/dbraw/zinc/99/54/62/356995462.db2.gz CUEGXVIPFGXYJP-CWRNSKLLSA-N 2 1 289.423 1.893 40 0 CDABMP OC1CCN(c2cccc(C[C@H]3CCC[NH2+]CC3)[nH+]2)CC1 ZINC000072364931 357830663 /nfs/dbraw/zinc/83/06/63/357830663.db2.gz QFCAUZUYVIVZIN-AWEZNQCLSA-N 2 1 289.423 1.975 40 0 CDABMP c1cn2c(n1)C[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2 ZINC000306124244 374968607 /nfs/dbraw/zinc/96/86/07/374968607.db2.gz BKLCJVNESLNMKC-KBPBESRZSA-N 2 1 254.337 1.582 40 0 CDABMP C[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+] ZINC000079414509 390421110 /nfs/dbraw/zinc/42/11/10/390421110.db2.gz FXFUTWYIESLTGP-INIZCTEOSA-N 2 1 261.413 1.932 40 0 CDABMP C[N@@H+]1CC[NH2+]C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072344082 176372584 /nfs/dbraw/zinc/37/25/84/176372584.db2.gz WKTFNJLMZIOIIP-CQSZACIVSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@H+]1CC[NH2+]C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000072344082 176372587 /nfs/dbraw/zinc/37/25/87/176372587.db2.gz WKTFNJLMZIOIIP-CQSZACIVSA-N 2 1 255.365 1.929 40 0 CDABMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccco1 ZINC000096056469 185077996 /nfs/dbraw/zinc/07/79/96/185077996.db2.gz CLGPSNYRTAVZIO-HUUCEWRRSA-N 2 1 291.395 1.407 40 0 CDABMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000019288274 356480060 /nfs/dbraw/zinc/48/00/60/356480060.db2.gz XKWJDKBGBDOFJF-CQSZACIVSA-N 2 1 270.336 1.871 40 0 CDABMP CCN(CC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393590 356989941 /nfs/dbraw/zinc/98/99/41/356989941.db2.gz PRGIEYMFWYMHHB-INIZCTEOSA-N 2 1 261.413 1.932 40 0 CDABMP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404461 356990955 /nfs/dbraw/zinc/99/09/55/356990955.db2.gz FUUACBIFNCNOAE-GOEBONIOSA-N 2 1 289.423 1.847 40 0 CDABMP CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[NH3+])CC1 ZINC000079415287 356994841 /nfs/dbraw/zinc/99/48/41/356994841.db2.gz OGEHXQPVXHKHNA-UHFFFAOYSA-N 2 1 289.423 1.706 40 0 CDABMP CCOC(=O)[C@H](C[NH3+])C1([NH+](CC)CC)CCCC1 ZINC000072210396 390618344 /nfs/dbraw/zinc/61/83/44/390618344.db2.gz DIUYJQGMPOMNQA-LBPRGKRZSA-N 2 1 256.390 1.779 40 0 CDABMP C[N@@H+]1CC[NH2+]C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000072344081 176372456 /nfs/dbraw/zinc/37/24/56/176372456.db2.gz WKTFNJLMZIOIIP-AWEZNQCLSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@H+]1CC[NH2+]C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000072344081 176372458 /nfs/dbraw/zinc/37/24/58/176372458.db2.gz WKTFNJLMZIOIIP-AWEZNQCLSA-N 2 1 255.365 1.929 40 0 CDABMP C[N@@H+](CCO)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1 ZINC000019586122 356492652 /nfs/dbraw/zinc/49/26/52/356492652.db2.gz LWPKALROSACKPT-UHFFFAOYSA-N 2 1 288.395 1.454 40 0 CDABMP CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079415232 356994298 /nfs/dbraw/zinc/99/42/98/356994298.db2.gz MNGJTWBDSLUSIZ-AWEZNQCLSA-N 2 1 261.369 1.068 40 0 CDABMP C[N@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000072816501 357851960 /nfs/dbraw/zinc/85/19/60/357851960.db2.gz ZBQXLQWMVLHRMG-CQSZACIVSA-N 2 1 267.417 1.320 40 0 CDABMP C[NH+](C)CCO[C@H]1C[N@H+](Cc2ccoc2)[C@@H]2COC[C@H]12 ZINC000096184984 358713833 /nfs/dbraw/zinc/71/38/33/358713833.db2.gz TYOTVWDQLRXSSH-ZNMIVQPWSA-N 2 1 280.368 1.057 40 0 CDABMP C[NH+](C)CCO[C@H]1C[N@@H+](Cc2ccoc2)[C@@H]2COC[C@H]12 ZINC000096184984 358713839 /nfs/dbraw/zinc/71/38/39/358713839.db2.gz TYOTVWDQLRXSSH-ZNMIVQPWSA-N 2 1 280.368 1.057 40 0 CDABMP C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000026439567 296122326 /nfs/dbraw/zinc/12/23/26/296122326.db2.gz CXABUZLGGVHQRG-MGPQQGTHSA-N 2 1 269.433 1.706 40 0 CDABMP CCOCC[NH+]1CCC(c2nccnc2C[NH+](C)C)CC1 ZINC000257344593 190037635 /nfs/dbraw/zinc/03/76/35/190037635.db2.gz ZXYGRWXSUSZEOW-UHFFFAOYSA-N 2 1 292.427 1.754 40 0 CDABMP C[N@@H+](CCN)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393572 390421318 /nfs/dbraw/zinc/42/13/18/390421318.db2.gz FWEGUQXRMAJZLC-UHFFFAOYSA-N 2 1 261.413 1.789 40 0 CDABMP CN(CC[NH3+])CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393572 390421322 /nfs/dbraw/zinc/42/13/22/390421322.db2.gz FWEGUQXRMAJZLC-UHFFFAOYSA-N 2 1 261.413 1.789 40 0 CDABMP C[NH+]1CCC2(CCC[N@@H+](CC3(C)COC3)C2)CC1 ZINC000799178981 937381015 /nfs/dbraw/zinc/38/10/15/937381015.db2.gz VVVVSKVAAPYWQL-UHFFFAOYSA-N 2 1 252.402 1.831 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096078528 185089237 /nfs/dbraw/zinc/08/92/37/185089237.db2.gz WBZVGICNINLORA-JKSUJKDBSA-N 2 1 294.395 1.449 40 0 CDABMP C[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096078528 185089239 /nfs/dbraw/zinc/08/92/39/185089239.db2.gz WBZVGICNINLORA-JKSUJKDBSA-N 2 1 294.395 1.449 40 0 CDABMP CCOC(=O)[C@@H](C[NH3+])[C@@](C)(CC)[NH+]1CCCCC1 ZINC000072210441 390618260 /nfs/dbraw/zinc/61/82/60/390618260.db2.gz UNZPUEORNMWUBR-TZMCWYRMSA-N 2 1 256.390 1.779 40 0 CDABMP