smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584899072 398430137 /nfs/dbraw/zinc/43/01/37/398430137.db2.gz RGHOPVBEPGSIDI-UHFFFAOYSA-N 2 1 320.387 2.728 50 0 DFAAMP Cc1cccc2nc(C[N@H+](C)C[C@H]3CCc4[nH+]ccn4C3)cn21 ZINC000328623602 398566103 /nfs/dbraw/zinc/56/61/03/398566103.db2.gz BYOCGFCOBPSTQY-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1cccc2nc(C[N@@H+](C)C[C@H]3CCc4[nH+]ccn4C3)cn21 ZINC000328623602 398566107 /nfs/dbraw/zinc/56/61/07/398566107.db2.gz BYOCGFCOBPSTQY-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1cccc2nc(C[N@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)cn21 ZINC000328623601 398566117 /nfs/dbraw/zinc/56/61/17/398566117.db2.gz BYOCGFCOBPSTQY-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1cccc2nc(C[N@@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)cn21 ZINC000328623601 398566119 /nfs/dbraw/zinc/56/61/19/398566119.db2.gz BYOCGFCOBPSTQY-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328651829 398568982 /nfs/dbraw/zinc/56/89/82/398568982.db2.gz WBDVBNIXVNDBJZ-ZDUSSCGKSA-N 2 1 301.438 2.598 50 0 DFAAMP C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328651829 398568985 /nfs/dbraw/zinc/56/89/85/398568985.db2.gz WBDVBNIXVNDBJZ-ZDUSSCGKSA-N 2 1 301.438 2.598 50 0 DFAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCCOc2ccccc2)CC1 ZINC000072133244 191045166 /nfs/dbraw/zinc/04/51/66/191045166.db2.gz LTSLTKDOQKGWGD-IBGZPJMESA-N 2 1 320.477 2.624 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000253370586 186301403 /nfs/dbraw/zinc/30/14/03/186301403.db2.gz STQRGHGRXRYHLJ-PMACEKPBSA-N 2 1 315.505 2.940 50 0 DFAAMP COC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000169789782 399000885 /nfs/dbraw/zinc/00/08/85/399000885.db2.gz NNUQFBGTRWXDRV-OAHLLOKOSA-N 2 1 308.853 2.788 50 0 DFAAMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169782622 399001795 /nfs/dbraw/zinc/00/17/95/399001795.db2.gz GHVMJSGULKTYJE-MRXNPFEDSA-N 2 1 320.502 2.807 50 0 DFAAMP c1cnn(Cc2ccccc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067919896 425914613 /nfs/dbraw/zinc/91/46/13/425914613.db2.gz ZJILIBONAJUJJG-IBGZPJMESA-N 2 1 310.445 2.507 50 0 DFAAMP c1cnn(Cc2ccccc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067919898 425914672 /nfs/dbraw/zinc/91/46/72/425914672.db2.gz ZJILIBONAJUJJG-LJQANCHMSA-N 2 1 310.445 2.507 50 0 DFAAMP CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000067920792 425914686 /nfs/dbraw/zinc/91/46/86/425914686.db2.gz ULHOHTIILQWIGK-AWEZNQCLSA-N 2 1 316.424 2.989 50 0 DFAAMP CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000067920792 425914687 /nfs/dbraw/zinc/91/46/87/425914687.db2.gz ULHOHTIILQWIGK-AWEZNQCLSA-N 2 1 316.424 2.989 50 0 DFAAMP CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000067920792 425914688 /nfs/dbraw/zinc/91/46/88/425914688.db2.gz ULHOHTIILQWIGK-AWEZNQCLSA-N 2 1 316.424 2.989 50 0 DFAAMP c1cnn(Cc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000067956007 425915109 /nfs/dbraw/zinc/91/51/09/425915109.db2.gz SDFUUTJYQNFRSM-IBGZPJMESA-N 2 1 310.445 2.507 50 0 DFAAMP O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000067966390 425915405 /nfs/dbraw/zinc/91/54/05/425915405.db2.gz DNKMXLACGMUUEC-QGZVFWFLSA-N 2 1 300.446 2.652 50 0 DFAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000069658898 425951434 /nfs/dbraw/zinc/95/14/34/425951434.db2.gz MWZDUOIQGMEPFU-GFCCVEGCSA-N 2 1 316.898 2.926 50 0 DFAAMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nccs3)CC2)C[C@@H](C)O1 ZINC000135130860 426206024 /nfs/dbraw/zinc/20/60/24/426206024.db2.gz DVYLMZRWQRGPKM-HUUCEWRRSA-N 2 1 323.506 2.854 50 0 DFAAMP C[C@H](CCc1ccccc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000089895703 426315995 /nfs/dbraw/zinc/31/59/95/426315995.db2.gz XVKAEHGVTPFZJP-QGZVFWFLSA-N 2 1 304.478 2.786 50 0 DFAAMP Cc1cccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000097096567 426448400 /nfs/dbraw/zinc/44/84/00/426448400.db2.gz GSJXKVPQVPUCJO-IYBDPMFKSA-N 2 1 303.450 2.716 50 0 DFAAMP Cc1cccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000097096567 426448404 /nfs/dbraw/zinc/44/84/04/426448404.db2.gz GSJXKVPQVPUCJO-IYBDPMFKSA-N 2 1 303.450 2.716 50 0 DFAAMP CC[N@@H+](C)C1(CNC(=O)Nc2cccc(C[NH3+])c2)CCCCC1 ZINC000097137272 426452698 /nfs/dbraw/zinc/45/26/98/426452698.db2.gz FBIYQGXVFJDVNE-UHFFFAOYSA-N 2 1 318.465 2.921 50 0 DFAAMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000097160168 426454692 /nfs/dbraw/zinc/45/46/92/426454692.db2.gz VEVXPYYBQYABPY-CYBMUJFWSA-N 2 1 304.463 2.960 50 0 DFAAMP COc1cc2c(cc1C[N@H+](C)CCCc1[nH+]ccn1C)CCC2 ZINC000215355641 426554483 /nfs/dbraw/zinc/55/44/83/426554483.db2.gz DVHWJADZKRTRDV-UHFFFAOYSA-N 2 1 313.445 2.982 50 0 DFAAMP COc1cc2c(cc1C[N@@H+](C)CCCc1[nH+]ccn1C)CCC2 ZINC000215355641 426554488 /nfs/dbraw/zinc/55/44/88/426554488.db2.gz DVHWJADZKRTRDV-UHFFFAOYSA-N 2 1 313.445 2.982 50 0 DFAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000215617857 426552932 /nfs/dbraw/zinc/55/29/32/426552932.db2.gz APJJDSVFEWMQKP-UHFFFAOYSA-N 2 1 324.428 2.782 50 0 DFAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000215617857 426552936 /nfs/dbraw/zinc/55/29/36/426552936.db2.gz APJJDSVFEWMQKP-UHFFFAOYSA-N 2 1 324.428 2.782 50 0 DFAAMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000275727114 426905564 /nfs/dbraw/zinc/90/55/64/426905564.db2.gz OSMWPJQSCPFKON-MRXNPFEDSA-N 2 1 318.490 2.744 50 0 DFAAMP CCC[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182518904 427094276 /nfs/dbraw/zinc/09/42/76/427094276.db2.gz XOCVICUQYYPUGB-RDJZCZTQSA-N 2 1 309.498 2.617 50 0 DFAAMP [NH3+]C1(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299781960 427769052 /nfs/dbraw/zinc/76/90/52/427769052.db2.gz MAVXQQJENVACED-ZNMIVQPWSA-N 2 1 310.401 2.710 50 0 DFAAMP [NH3+]C1(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299781960 427769055 /nfs/dbraw/zinc/76/90/55/427769055.db2.gz MAVXQQJENVACED-ZNMIVQPWSA-N 2 1 310.401 2.710 50 0 DFAAMP COC1(OC)CC[C@@H]([N@@H+](C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000725261739 563567766 /nfs/dbraw/zinc/56/77/66/563567766.db2.gz DYGREQAGYOOJFA-IAGOWNOFSA-N 2 1 306.450 2.625 50 0 DFAAMP CCC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)C[C@H]1[NH+](C)C ZINC000082096348 192355430 /nfs/dbraw/zinc/35/54/30/192355430.db2.gz OCILVDOGBORIHI-NVXWUHKLSA-N 2 1 305.466 2.869 50 0 DFAAMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)[C@@H]1c1cccnc1 ZINC000328655362 529793848 /nfs/dbraw/zinc/79/38/48/529793848.db2.gz YFYMDRZBDOHDBI-HKUYNNGSSA-N 2 1 321.428 2.741 50 0 DFAAMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c[nH]nc32)[C@@H]1c1cccnc1 ZINC000328655362 529793850 /nfs/dbraw/zinc/79/38/50/529793850.db2.gz YFYMDRZBDOHDBI-HKUYNNGSSA-N 2 1 321.428 2.741 50 0 DFAAMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC1OCCO1 ZINC000252586699 398420262 /nfs/dbraw/zinc/42/02/62/398420262.db2.gz RXUIKAGYYMDHRX-SJLPKXTDSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC1OCCO1 ZINC000252586699 398420264 /nfs/dbraw/zinc/42/02/64/398420264.db2.gz RXUIKAGYYMDHRX-SJLPKXTDSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC1OCCO1 ZINC000252586699 398420268 /nfs/dbraw/zinc/42/02/68/398420268.db2.gz RXUIKAGYYMDHRX-SJLPKXTDSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC1OCCO1 ZINC000252586699 398420272 /nfs/dbraw/zinc/42/02/72/398420272.db2.gz RXUIKAGYYMDHRX-SJLPKXTDSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC1OCCO1 ZINC000252586699 398420277 /nfs/dbraw/zinc/42/02/77/398420277.db2.gz RXUIKAGYYMDHRX-SJLPKXTDSA-N 2 1 318.461 2.592 50 0 DFAAMP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186790862 200011131 /nfs/dbraw/zinc/01/11/31/200011131.db2.gz HTMAQKVLQJFIKI-RTBURBONSA-N 2 1 302.462 2.587 50 0 DFAAMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000169789837 399000783 /nfs/dbraw/zinc/00/07/83/399000783.db2.gz VOFNDFIPYDRLBS-OAHLLOKOSA-N 2 1 308.491 2.847 50 0 DFAAMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH+](CC1CC1)CC2 ZINC000169782211 399001670 /nfs/dbraw/zinc/00/16/70/399001670.db2.gz ZAOQJYHMIKYFOW-IBGZPJMESA-N 2 1 314.473 2.603 50 0 DFAAMP COC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CC12CC[NH2+]CC2 ZINC000169789810 399001683 /nfs/dbraw/zinc/00/16/83/399001683.db2.gz KTYVGSWGYCXTBF-INIZCTEOSA-N 2 1 313.445 2.616 50 0 DFAAMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH+](C1CCC1)CC2 ZINC000169783583 399001734 /nfs/dbraw/zinc/00/17/34/399001734.db2.gz BDMZIGIQYKOMJZ-SFHVURJKSA-N 2 1 314.473 2.745 50 0 DFAAMP COC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC000169782588 399001927 /nfs/dbraw/zinc/00/19/27/399001927.db2.gz ZMPONCRLKMUHPQ-MRXNPFEDSA-N 2 1 317.477 2.728 50 0 DFAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@](CO)(CC3CC3)C2)c1 ZINC000091586847 193075697 /nfs/dbraw/zinc/07/56/97/193075697.db2.gz SVGJKQKAIOJTGH-IBGZPJMESA-N 2 1 302.462 2.562 50 0 DFAAMP COCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091794172 193109126 /nfs/dbraw/zinc/10/91/26/193109126.db2.gz YRALBPLQINBZNW-SFHVURJKSA-N 2 1 302.462 2.834 50 0 DFAAMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000020264081 182201152 /nfs/dbraw/zinc/20/11/52/182201152.db2.gz ASIXXJPWMHNLIN-OFQRWUPVSA-N 2 1 306.450 2.565 50 0 DFAAMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccnc3)c2)CCO1 ZINC000063524494 184284134 /nfs/dbraw/zinc/28/41/34/184284134.db2.gz MQICCHLLUOIFOQ-INIZCTEOSA-N 2 1 311.429 2.592 50 0 DFAAMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccnc3)c2)CCO1 ZINC000063524494 184284135 /nfs/dbraw/zinc/28/41/35/184284135.db2.gz MQICCHLLUOIFOQ-INIZCTEOSA-N 2 1 311.429 2.592 50 0 DFAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3nccn3C)CC2)o1 ZINC000012300879 542420998 /nfs/dbraw/zinc/42/09/98/542420998.db2.gz HPOOGCYSZPLBJT-UHFFFAOYSA-N 2 1 316.449 2.666 50 0 DFAAMP Fc1ccc(N2CC[C@H]([N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426395409 257252772 /nfs/dbraw/zinc/25/27/72/257252772.db2.gz QEXSSHRCELLKKG-SFHVURJKSA-N 2 1 317.452 2.870 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000092746532 542550610 /nfs/dbraw/zinc/55/06/10/542550610.db2.gz LCBRGSCNJOIDEV-LMMKCTJWSA-N 2 1 307.526 2.818 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000371472037 150051629 /nfs/dbraw/zinc/05/16/29/150051629.db2.gz XVPLBMQGHBMZMW-GBESFXJTSA-N 2 1 302.462 2.987 50 0 DFAAMP O[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067473275 425910895 /nfs/dbraw/zinc/91/08/95/425910895.db2.gz HORGSARUFRCULU-LEWJYISDSA-N 2 1 324.468 2.990 50 0 DFAAMP C/C(=C\c1ccco1)C[N@@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067805668 425913286 /nfs/dbraw/zinc/91/32/86/425913286.db2.gz FZBPHZSQAQNBRH-SAPNQHFASA-N 2 1 317.477 2.785 50 0 DFAAMP C[N@H+]1CCC[C@H](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067982570 425915206 /nfs/dbraw/zinc/91/52/06/425915206.db2.gz SYGKHFSAHYERPE-OAHLLOKOSA-N 2 1 323.525 2.781 50 0 DFAAMP c1ccc2c(c1)[nH+]c1c(c2NCCC[NH+]2CCOCC2)CCC1 ZINC000001780068 425587125 /nfs/dbraw/zinc/58/71/25/425587125.db2.gz UVALAZZUSKYBOT-UHFFFAOYSA-N 2 1 311.429 2.858 50 0 DFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745049 425877148 /nfs/dbraw/zinc/87/71/48/425877148.db2.gz MWBPIGPQPMLRDN-CQSZACIVSA-N 2 1 314.433 2.517 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000108114676 426011421 /nfs/dbraw/zinc/01/14/21/426011421.db2.gz STGOMVBCAKPCIR-GFIVTLFCSA-N 2 1 318.461 2.640 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000108114676 426011424 /nfs/dbraw/zinc/01/14/24/426011424.db2.gz STGOMVBCAKPCIR-GFIVTLFCSA-N 2 1 318.461 2.640 50 0 DFAAMP Cc1ccc([C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000095358946 426367908 /nfs/dbraw/zinc/36/79/08/426367908.db2.gz FSQVMPIHGCHPOI-KRWDZBQOSA-N 2 1 317.477 2.588 50 0 DFAAMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccco3)cn2)CC1 ZINC000095420404 426372834 /nfs/dbraw/zinc/37/28/34/426372834.db2.gz BOCXOEINXZCDTP-OAHLLOKOSA-N 2 1 314.433 2.667 50 0 DFAAMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000095967072 426379729 /nfs/dbraw/zinc/37/97/29/426379729.db2.gz WVHQVHABHLBNEB-ZBFHGGJFSA-N 2 1 306.450 2.566 50 0 DFAAMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000121722404 279455690 /nfs/dbraw/zinc/45/56/90/279455690.db2.gz LAUSQEGNZKVTTA-LPHOPBHVSA-N 2 1 302.462 2.851 50 0 DFAAMP C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C1CC[NH2+]CC1)CC2 ZINC000095497032 185374461 /nfs/dbraw/zinc/37/44/61/185374461.db2.gz JMIRQFVJAJOHNM-GOSISDBHSA-N 2 1 313.489 2.692 50 0 DFAAMP C[N@H+]1CCC2(C1)CC[NH+]([C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000584886884 398426548 /nfs/dbraw/zinc/42/65/48/398426548.db2.gz RKYDVPGQWIMYHI-GOSISDBHSA-N 2 1 317.452 2.822 50 0 DFAAMP COc1cc(C)c(C[N@@H+]2CCOC[C@@H](C[NH+](C)C)C2)c(C)c1C ZINC000072150628 191056302 /nfs/dbraw/zinc/05/63/02/191056302.db2.gz SFCOAZGVHVEPIQ-KRWDZBQOSA-N 2 1 320.477 2.630 50 0 DFAAMP COc1cc(C)c(C[N@H+]2CCOC[C@@H](C[NH+](C)C)C2)c(C)c1C ZINC000072150628 191056304 /nfs/dbraw/zinc/05/63/04/191056304.db2.gz SFCOAZGVHVEPIQ-KRWDZBQOSA-N 2 1 320.477 2.630 50 0 DFAAMP Cc1cc(N2CCC[N@@H+](Cc3cccc(CC[NH3+])c3)CC2)cc[nH+]1 ZINC000072170596 191067783 /nfs/dbraw/zinc/06/77/83/191067783.db2.gz CEMYTQOIIIINBJ-UHFFFAOYSA-N 3 1 324.472 2.604 50 0 DFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414190 199155588 /nfs/dbraw/zinc/15/55/88/199155588.db2.gz ZTOLSCYQHXNOCL-IIDMSEBBSA-N 2 1 312.461 2.905 50 0 DFAAMP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000237360475 202243180 /nfs/dbraw/zinc/24/31/80/202243180.db2.gz UKDNAAKMRGBCDH-OAHLLOKOSA-N 2 1 312.417 2.728 50 0 DFAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091620933 193080575 /nfs/dbraw/zinc/08/05/75/193080575.db2.gz BCLOIDDJGHTKOX-UHFFFAOYSA-N 2 1 324.428 2.775 50 0 DFAAMP CC(C)(C)c1cc(Cl)ccc1OCCOCC[NH2+]CC[NH3+] ZINC000020118695 182189259 /nfs/dbraw/zinc/18/92/59/182189259.db2.gz BWZLXNYSTWGWFO-UHFFFAOYSA-N 2 1 314.857 2.581 50 0 DFAAMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000020264075 182200973 /nfs/dbraw/zinc/20/09/73/182200973.db2.gz ASIXXJPWMHNLIN-SQWLQELKSA-N 2 1 306.450 2.565 50 0 DFAAMP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000065202201 184314452 /nfs/dbraw/zinc/31/44/52/184314452.db2.gz OJTADSOESYWMFG-INIZCTEOSA-N 2 1 311.433 2.691 50 0 DFAAMP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000052867251 425886343 /nfs/dbraw/zinc/88/63/43/425886343.db2.gz HERVYXKBLZHRFF-JKSUJKDBSA-N 2 1 321.465 2.511 50 0 DFAAMP CCCc1cn(C2CC[NH+](C[C@@H]3CCC[N@@H+](CC)C3)CC2)nn1 ZINC000055168559 425892283 /nfs/dbraw/zinc/89/22/83/425892283.db2.gz XJCQMNHVHYPWTK-MRXNPFEDSA-N 2 1 319.497 2.599 50 0 DFAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013733149 425759836 /nfs/dbraw/zinc/75/98/36/425759836.db2.gz TXXGPKGPXHHNFA-UHFFFAOYSA-N 2 1 308.809 2.662 50 0 DFAAMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000069737631 425955000 /nfs/dbraw/zinc/95/50/00/425955000.db2.gz RDWSKXWUDUPJHK-SFHVURJKSA-N 2 1 317.477 2.657 50 0 DFAAMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc[nH+]1 ZINC000170614931 426140100 /nfs/dbraw/zinc/14/01/00/426140100.db2.gz CYZKRDVCZNCSKJ-LJQANCHMSA-N 2 1 311.429 2.959 50 0 DFAAMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nccs3)CC2)C[C@H](C)O1 ZINC000135130822 426206885 /nfs/dbraw/zinc/20/68/85/426206885.db2.gz DVYLMZRWQRGPKM-GASCZTMLSA-N 2 1 323.506 2.854 50 0 DFAAMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nccs3)CC2)C[C@H](C)O1 ZINC000135130822 426206887 /nfs/dbraw/zinc/20/68/87/426206887.db2.gz DVYLMZRWQRGPKM-GASCZTMLSA-N 2 1 323.506 2.854 50 0 DFAAMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000095984952 426382376 /nfs/dbraw/zinc/38/23/76/426382376.db2.gz SCCJHTIMXXKWPL-BEFAXECRSA-N 2 1 302.462 2.746 50 0 DFAAMP CC[N@@H+]1Cc2cccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)c2C1 ZINC000097136221 426453446 /nfs/dbraw/zinc/45/34/46/426453446.db2.gz FOGVXJGZQASCGE-SFHVURJKSA-N 2 1 313.445 2.835 50 0 DFAAMP CC[N@H+]1Cc2cccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)c2C1 ZINC000097136221 426453447 /nfs/dbraw/zinc/45/34/47/426453447.db2.gz FOGVXJGZQASCGE-SFHVURJKSA-N 2 1 313.445 2.835 50 0 DFAAMP Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000097200684 426457527 /nfs/dbraw/zinc/45/75/27/426457527.db2.gz LSFWEUAHTZFWEW-OAHLLOKOSA-N 2 1 300.406 2.929 50 0 DFAAMP CC[N@H+]1CC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124177566 426473484 /nfs/dbraw/zinc/47/34/84/426473484.db2.gz YMDGUXUPAUXURQ-LJQANCHMSA-N 3 1 315.505 2.625 50 0 DFAAMP c1csc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000098081616 426477809 /nfs/dbraw/zinc/47/78/09/426477809.db2.gz HINKHQHTOYVELL-UHFFFAOYSA-N 2 1 302.443 2.870 50 0 DFAAMP CCn1nccc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275732954 426907828 /nfs/dbraw/zinc/90/78/28/426907828.db2.gz UURNDPBGDZCTRY-INIZCTEOSA-N 2 1 313.449 2.734 50 0 DFAAMP CCn1nccc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275732954 426907836 /nfs/dbraw/zinc/90/78/36/426907836.db2.gz UURNDPBGDZCTRY-INIZCTEOSA-N 2 1 313.449 2.734 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252512598 427185395 /nfs/dbraw/zinc/18/53/95/427185395.db2.gz STGOMVBCAKPCIR-WXSAJPJJSA-N 2 1 318.461 2.640 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252512598 427185401 /nfs/dbraw/zinc/18/54/01/427185401.db2.gz STGOMVBCAKPCIR-WXSAJPJJSA-N 2 1 318.461 2.640 50 0 DFAAMP Cc1cc(N2CC[NH2+]CC2)c2cccc(Br)c2[nH+]1 ZINC000040175104 274708855 /nfs/dbraw/zinc/70/88/55/274708855.db2.gz RYFZLLDEOALIOG-UHFFFAOYSA-N 2 1 306.207 2.715 50 0 DFAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095391667 185351765 /nfs/dbraw/zinc/35/17/65/185351765.db2.gz CORKSQAHJALGIA-INIZCTEOSA-N 3 1 313.449 2.614 50 0 DFAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc2cc(Cl)ccc2[nH]1 ZINC000584886874 398426310 /nfs/dbraw/zinc/42/63/10/398426310.db2.gz CMOLTXQENVKZRM-LLVKDONJSA-N 2 1 317.824 2.942 50 0 DFAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000584902244 398430842 /nfs/dbraw/zinc/43/08/42/398430842.db2.gz LAUYJROUAURUKV-LBPRGKRZSA-N 2 1 315.396 2.818 50 0 DFAAMP c1cc(C[N@H+](Cc2cncnc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000328623898 398566573 /nfs/dbraw/zinc/56/65/73/398566573.db2.gz CCHSRUNZMGBPPN-INIZCTEOSA-N 2 1 314.458 2.682 50 0 DFAAMP c1cc(C[N@@H+](Cc2cncnc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000328623898 398566577 /nfs/dbraw/zinc/56/65/77/398566577.db2.gz CCHSRUNZMGBPPN-INIZCTEOSA-N 2 1 314.458 2.682 50 0 DFAAMP C[NH+](C)C[C@@]1(O)CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000072463700 191173865 /nfs/dbraw/zinc/17/38/65/191173865.db2.gz ORUOYZONVIYIOA-NRFANRHFSA-N 2 1 324.468 2.817 50 0 DFAAMP COC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000169789781 399001228 /nfs/dbraw/zinc/00/12/28/399001228.db2.gz NNUQFBGTRWXDRV-HNNXBMFYSA-N 2 1 308.853 2.788 50 0 DFAAMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275535987 212399538 /nfs/dbraw/zinc/39/95/38/212399538.db2.gz MFVQNOPFLORESD-NZSAHSFTSA-N 2 1 324.472 2.556 50 0 DFAAMP O[C@@H](C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000221932011 542883034 /nfs/dbraw/zinc/88/30/34/542883034.db2.gz MXZCPZKKZPMWIU-SJORKVTESA-N 2 1 318.804 2.922 50 0 DFAAMP O[C@@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000221932011 542883038 /nfs/dbraw/zinc/88/30/38/542883038.db2.gz MXZCPZKKZPMWIU-SJORKVTESA-N 2 1 318.804 2.922 50 0 DFAAMP c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)n[nH]1 ZINC000067856467 425914100 /nfs/dbraw/zinc/91/41/00/425914100.db2.gz HUGDWGSPSMXGBU-INIZCTEOSA-N 2 1 302.447 2.714 50 0 DFAAMP c1cc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)n[nH]1 ZINC000067856467 425914101 /nfs/dbraw/zinc/91/41/01/425914101.db2.gz HUGDWGSPSMXGBU-INIZCTEOSA-N 2 1 302.447 2.714 50 0 DFAAMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000089375351 426288247 /nfs/dbraw/zinc/28/82/47/426288247.db2.gz JWMWQGYAQKJOQN-GOSISDBHSA-N 2 1 321.509 2.632 50 0 DFAAMP c1ccc2c(c1)CC([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000089594278 426297558 /nfs/dbraw/zinc/29/75/58/426297558.db2.gz LFSQAZRRUKCTQM-UHFFFAOYSA-N 2 1 314.473 2.779 50 0 DFAAMP C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000095369332 426367856 /nfs/dbraw/zinc/36/78/56/426367856.db2.gz XRPUTDHOWDWMLU-MQVJKMGUSA-N 2 1 323.481 2.601 50 0 DFAAMP CC[NH+]1CCN(c2cc(CNc3cccc(C)[nH+]3)ccn2)CC1 ZINC000097163273 426456682 /nfs/dbraw/zinc/45/66/82/426456682.db2.gz VUGOTZZLZVFBGF-UHFFFAOYSA-N 2 1 311.433 2.539 50 0 DFAAMP CCOc1ccccc1OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000244691577 426723586 /nfs/dbraw/zinc/72/35/86/426723586.db2.gz JFEMEHQKXJCSCU-UHFFFAOYSA-N 2 1 304.434 2.540 50 0 DFAAMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cnc21 ZINC000275613936 426881260 /nfs/dbraw/zinc/88/12/60/426881260.db2.gz RENFZPXMKSLHFA-CQSZACIVSA-N 2 1 324.432 2.561 50 0 DFAAMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000253404886 427201532 /nfs/dbraw/zinc/20/15/32/427201532.db2.gz FVGNCZBRCWPFBA-HOTGVXAUSA-N 2 1 321.465 2.653 50 0 DFAAMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000253404886 427201536 /nfs/dbraw/zinc/20/15/36/427201536.db2.gz FVGNCZBRCWPFBA-HOTGVXAUSA-N 2 1 321.465 2.653 50 0 DFAAMP Clc1c[nH+]ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000095974202 274885174 /nfs/dbraw/zinc/88/51/74/274885174.db2.gz CBBWGQUJPAZWGY-CQSZACIVSA-N 2 1 309.841 2.816 50 0 DFAAMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000069538238 276308707 /nfs/dbraw/zinc/30/87/07/276308707.db2.gz XMLCYXIZXQJSCG-FUHWJXTLSA-N 2 1 317.477 2.526 50 0 DFAAMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000069538238 276308708 /nfs/dbraw/zinc/30/87/08/276308708.db2.gz XMLCYXIZXQJSCG-FUHWJXTLSA-N 2 1 317.477 2.526 50 0 DFAAMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000069538238 276308709 /nfs/dbraw/zinc/30/87/09/276308709.db2.gz XMLCYXIZXQJSCG-FUHWJXTLSA-N 2 1 317.477 2.526 50 0 DFAAMP C[NH+]1CCC([NH2+]C[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000534631899 334307772 /nfs/dbraw/zinc/30/77/72/334307772.db2.gz XYLMJRKXLABDEL-CQSZACIVSA-N 2 1 307.869 2.850 50 0 DFAAMP COc1ccccc1OC1C[NH+](CC2CC[NH+](C(C)C)CC2)C1 ZINC000072141955 191049741 /nfs/dbraw/zinc/04/97/41/191049741.db2.gz VMKDPYVSNXPPIA-UHFFFAOYSA-N 2 1 318.461 2.879 50 0 DFAAMP Cc1cc(N2CCC[N@H+](Cc3nc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000072163253 191063092 /nfs/dbraw/zinc/06/30/92/191063092.db2.gz WTHLQLCVXBLCFO-UHFFFAOYSA-N 2 1 321.428 2.979 50 0 DFAAMP Cc1cc(N2CCC[N@@H+](Cc3nc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000072163253 191063094 /nfs/dbraw/zinc/06/30/94/191063094.db2.gz WTHLQLCVXBLCFO-UHFFFAOYSA-N 2 1 321.428 2.979 50 0 DFAAMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436120 191166643 /nfs/dbraw/zinc/16/66/43/191166643.db2.gz MDYVZLBMUNHGNF-FQEVSTJZSA-N 2 1 316.489 2.918 50 0 DFAAMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436120 191166646 /nfs/dbraw/zinc/16/66/46/191166646.db2.gz MDYVZLBMUNHGNF-FQEVSTJZSA-N 2 1 316.489 2.918 50 0 DFAAMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436120 191166648 /nfs/dbraw/zinc/16/66/48/191166648.db2.gz MDYVZLBMUNHGNF-FQEVSTJZSA-N 2 1 316.489 2.918 50 0 DFAAMP C[NH+]1CCN(Nc2[nH+]c(-c3ccccc3)nc3ccccc32)CC1 ZINC000004541742 181121983 /nfs/dbraw/zinc/12/19/83/181121983.db2.gz IXJMKGIWGPRJSF-UHFFFAOYSA-N 2 1 319.412 2.871 50 0 DFAAMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169782621 399001834 /nfs/dbraw/zinc/00/18/34/399001834.db2.gz GHVMJSGULKTYJE-INIZCTEOSA-N 2 1 320.502 2.807 50 0 DFAAMP CC[NH+]1CCC([N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091645009 193083470 /nfs/dbraw/zinc/08/34/70/193083470.db2.gz ASXDGIQCOGDUMV-GOSISDBHSA-N 2 1 302.462 2.528 50 0 DFAAMP CC[NH+]1CCC([N@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091645009 193083471 /nfs/dbraw/zinc/08/34/71/193083471.db2.gz ASXDGIQCOGDUMV-GOSISDBHSA-N 2 1 302.462 2.528 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000262676374 203377573 /nfs/dbraw/zinc/37/75/73/203377573.db2.gz SAQLQJUSLYCNRT-CIRFHOKZSA-N 2 1 317.477 2.511 50 0 DFAAMP c1c(C[NH+]2CCCCCC2)nnn1C1CC[NH+](C2CCC2)CC1 ZINC000023582073 182363620 /nfs/dbraw/zinc/36/36/20/182363620.db2.gz HDLCQTKEYWJXRQ-UHFFFAOYSA-N 2 1 317.481 2.844 50 0 DFAAMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000040623327 183109930 /nfs/dbraw/zinc/10/99/30/183109930.db2.gz HSRQSVXWFVPGOV-ZDUSSCGKSA-N 2 1 304.463 2.958 50 0 DFAAMP CC(C)C(=O)N1CCC(C[NH2+][C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000067472880 425910554 /nfs/dbraw/zinc/91/05/54/425910554.db2.gz FSAIWLQPJKVCNY-QGZVFWFLSA-N 2 1 323.525 2.735 50 0 DFAAMP Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)o1 ZINC000067603936 425911816 /nfs/dbraw/zinc/91/18/16/425911816.db2.gz ZWNAQRVNRIVFCL-MRXNPFEDSA-N 2 1 319.493 2.793 50 0 DFAAMP Cc1ccc2[nH]c(=O)c(C[N@@H+](C)CCCc3[nH+]ccn3C)cc2c1 ZINC000067840168 425913682 /nfs/dbraw/zinc/91/36/82/425913682.db2.gz SDCMSFMGGSNJFB-UHFFFAOYSA-N 2 1 324.428 2.635 50 0 DFAAMP Cc1ccc2[nH]c(=O)c(C[N@H+](C)CCCc3[nH+]ccn3C)cc2c1 ZINC000067840168 425913683 /nfs/dbraw/zinc/91/36/83/425913683.db2.gz SDCMSFMGGSNJFB-UHFFFAOYSA-N 2 1 324.428 2.635 50 0 DFAAMP CN(C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000280041 425550713 /nfs/dbraw/zinc/55/07/13/425550713.db2.gz KUFNQPDVXMENIU-UHFFFAOYSA-N 2 1 301.478 2.677 50 0 DFAAMP C[N@H+]1CCCN(c2ncccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000011813728 425714458 /nfs/dbraw/zinc/71/44/58/425714458.db2.gz AXYDLHUSDKDTQX-KRWDZBQOSA-N 2 1 314.477 2.669 50 0 DFAAMP CC(C)c1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nc(C(C)C)n1 ZINC000107593320 425995854 /nfs/dbraw/zinc/99/58/54/425995854.db2.gz RMOJQTLLOGNZTJ-GJZGRUSLSA-N 2 1 320.481 2.615 50 0 DFAAMP CC(C)c1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)nc(C(C)C)n1 ZINC000107593320 425995856 /nfs/dbraw/zinc/99/58/56/425995856.db2.gz RMOJQTLLOGNZTJ-GJZGRUSLSA-N 2 1 320.481 2.615 50 0 DFAAMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccco3)cn2)CC1 ZINC000095420403 426372232 /nfs/dbraw/zinc/37/22/32/426372232.db2.gz BOCXOEINXZCDTP-HNNXBMFYSA-N 2 1 314.433 2.667 50 0 DFAAMP c1ccc2c(c1)C[C@@H](C[N@H+]1CCC3(C1)CC[NH2+]CC3)CCO2 ZINC000095519748 426373155 /nfs/dbraw/zinc/37/31/55/426373155.db2.gz YKMHAPJCIKWKRX-INIZCTEOSA-N 2 1 300.446 2.703 50 0 DFAAMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000095984951 426382756 /nfs/dbraw/zinc/38/27/56/426382756.db2.gz SCCJHTIMXXKWPL-HNAYVOBHSA-N 2 1 302.462 2.746 50 0 DFAAMP Cc1cccc(NC2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)[nH+]1 ZINC000095987365 426384441 /nfs/dbraw/zinc/38/44/41/426384441.db2.gz XZKASDNNMMHGNO-UYAOXDASSA-N 2 1 323.440 2.925 50 0 DFAAMP CC(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000097159587 426454958 /nfs/dbraw/zinc/45/49/58/426454958.db2.gz MIOVMYHQRAOVEW-UHFFFAOYSA-N 2 1 313.449 2.682 50 0 DFAAMP CCOc1c(OC)cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000097162660 426456475 /nfs/dbraw/zinc/45/64/75/426456475.db2.gz NNAYISAZQLKITG-UHFFFAOYSA-N 2 1 322.449 2.804 50 0 DFAAMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000097164428 426456666 /nfs/dbraw/zinc/45/66/66/426456666.db2.gz NGMPHRPXPXPHMA-AWEZNQCLSA-N 2 1 314.433 2.532 50 0 DFAAMP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000222090039 426582055 /nfs/dbraw/zinc/58/20/55/426582055.db2.gz YRWGLXCCXODRIQ-PKOBYXMFSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000222090039 426582057 /nfs/dbraw/zinc/58/20/57/426582057.db2.gz YRWGLXCCXODRIQ-PKOBYXMFSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000222090039 426582062 /nfs/dbraw/zinc/58/20/62/426582062.db2.gz YRWGLXCCXODRIQ-PKOBYXMFSA-N 2 1 318.461 2.628 50 0 DFAAMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099130 426643631 /nfs/dbraw/zinc/64/36/31/426643631.db2.gz NOBONNGYUUDDDU-UJMXGEILSA-N 2 1 314.473 2.648 50 0 DFAAMP C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000240551527 426715837 /nfs/dbraw/zinc/71/58/37/426715837.db2.gz GUKIXORTYCIUMN-MJGOQNOKSA-N 2 1 301.478 2.582 50 0 DFAAMP COc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c(OC)c1 ZINC000178956297 426726196 /nfs/dbraw/zinc/72/61/96/426726196.db2.gz RFEBYNGOYUNIKE-QGZVFWFLSA-N 2 1 304.434 2.840 50 0 DFAAMP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245339159 426732199 /nfs/dbraw/zinc/73/21/99/426732199.db2.gz QYQJTWSPPULTRS-RHSMWYFYSA-N 2 1 323.506 2.589 50 0 DFAAMP CCC[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246045215 426793269 /nfs/dbraw/zinc/79/32/69/426793269.db2.gz XOCVICUQYYPUGB-NVXWUHKLSA-N 2 1 309.498 2.617 50 0 DFAAMP COc1ccc2oc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc2c1 ZINC000275438643 426865455 /nfs/dbraw/zinc/86/54/55/426865455.db2.gz FTSNJKCRLVVOMO-CYBMUJFWSA-N 2 1 311.385 2.990 50 0 DFAAMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000275613924 426879962 /nfs/dbraw/zinc/87/99/62/426879962.db2.gz REFIKHXSUACGSU-YOEHRIQHSA-N 2 1 311.429 2.601 50 0 DFAAMP CCC[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182518919 427092735 /nfs/dbraw/zinc/09/27/35/427092735.db2.gz XOCVICUQYYPUGB-DOTOQJQBSA-N 2 1 309.498 2.617 50 0 DFAAMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1cccn1 ZINC000249370422 427110266 /nfs/dbraw/zinc/11/02/66/427110266.db2.gz OYVUDLMUYIYRLX-DZFIZOCASA-N 2 1 312.461 2.629 50 0 DFAAMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000252536925 427188748 /nfs/dbraw/zinc/18/87/48/427188748.db2.gz JUOPBAQLZQBKFK-GBESFXJTSA-N 2 1 305.510 2.691 50 0 DFAAMP C(O[C@H]1CCOC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000219014798 275396050 /nfs/dbraw/zinc/39/60/50/275396050.db2.gz CDQAIQVTUOKGQY-MOPGFXCFSA-N 2 1 322.493 2.567 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000249028718 276198251 /nfs/dbraw/zinc/19/82/51/276198251.db2.gz AYVLCJGFSDWJCR-IPMKNSEASA-N 2 1 305.510 2.691 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000225514149 276198339 /nfs/dbraw/zinc/19/83/39/276198339.db2.gz AYVLCJGFSDWJCR-OTWHNJEPSA-N 2 1 305.510 2.691 50 0 DFAAMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000129908009 323212088 /nfs/dbraw/zinc/21/20/88/323212088.db2.gz IPHWBHREAUEDSE-QWHCGFSZSA-N 2 1 308.388 2.808 50 0 DFAAMP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000095435686 185364803 /nfs/dbraw/zinc/36/48/03/185364803.db2.gz IOCMCKQOPFXLGC-LBPRGKRZSA-N 2 1 300.805 2.537 50 0 DFAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000095435686 185364804 /nfs/dbraw/zinc/36/48/04/185364804.db2.gz IOCMCKQOPFXLGC-LBPRGKRZSA-N 2 1 300.805 2.537 50 0 DFAAMP CN([C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457098 185370391 /nfs/dbraw/zinc/37/03/91/185370391.db2.gz MDYHGELKQSERGN-HXUWFJFHSA-N 2 1 313.489 2.820 50 0 DFAAMP CN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000584896362 398428865 /nfs/dbraw/zinc/42/88/65/398428865.db2.gz HEYMTMOMXVRUQE-ZWKOTPCHSA-N 2 1 321.509 2.585 50 0 DFAAMP C[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634973 398568916 /nfs/dbraw/zinc/56/89/16/398568916.db2.gz MZXCTMSKDUVQHC-NSHDSACASA-N 2 1 304.419 2.522 50 0 DFAAMP C[N@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634973 398568918 /nfs/dbraw/zinc/56/89/18/398568918.db2.gz MZXCTMSKDUVQHC-NSHDSACASA-N 2 1 304.419 2.522 50 0 DFAAMP CCn1ccc2ccc(C[N@@H+]3CCC[C@@](O)(C[NH+](C)C)C3)cc21 ZINC000072428177 191161050 /nfs/dbraw/zinc/16/10/50/191161050.db2.gz VNICUNHAXDHKMB-LJQANCHMSA-N 2 1 315.461 2.550 50 0 DFAAMP CCn1ccc2ccc(C[N@H+]3CCC[C@@](O)(C[NH+](C)C)C3)cc21 ZINC000072428177 191161053 /nfs/dbraw/zinc/16/10/53/191161053.db2.gz VNICUNHAXDHKMB-LJQANCHMSA-N 2 1 315.461 2.550 50 0 DFAAMP CC[NH+](CC)CC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004018684 181062838 /nfs/dbraw/zinc/06/28/38/181062838.db2.gz HJGLRLCLBXNZCJ-UHFFFAOYSA-N 2 1 301.434 2.729 50 0 DFAAMP COC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC000169782587 399001019 /nfs/dbraw/zinc/00/10/19/399001019.db2.gz ZMPONCRLKMUHPQ-INIZCTEOSA-N 2 1 317.477 2.728 50 0 DFAAMP Cc1cc(C)c2[nH]c(C[NH2+]CC[C@@H]3CCC[N@@H+]3C)cc(=O)c2c1 ZINC000091782484 193106979 /nfs/dbraw/zinc/10/69/79/193106979.db2.gz KKLCHODRTNBCIQ-INIZCTEOSA-N 2 1 313.445 2.719 50 0 DFAAMP [NH3+]CC[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000020118544 182189032 /nfs/dbraw/zinc/18/90/32/182189032.db2.gz PNYSKBWMUQENJW-UHFFFAOYSA-N 2 1 300.402 2.583 50 0 DFAAMP CC(C)Oc1ccc2ccccc2c1C[NH2+]CCC[NH2+]CCO ZINC000040720724 183123732 /nfs/dbraw/zinc/12/37/32/183123732.db2.gz MCEUHZKQVRPUKB-UHFFFAOYSA-N 2 1 316.445 2.689 50 0 DFAAMP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000042229201 183244312 /nfs/dbraw/zinc/24/43/12/183244312.db2.gz BONKLBYUGNBZOC-CYBMUJFWSA-N 2 1 314.408 2.790 50 0 DFAAMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OC(F)F ZINC000060816771 184156412 /nfs/dbraw/zinc/15/64/12/184156412.db2.gz XUFQJWVROGGISO-UHFFFAOYSA-N 2 1 316.392 2.974 50 0 DFAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000065423112 184342156 /nfs/dbraw/zinc/34/21/56/184342156.db2.gz WZFSACSSRRBZLD-OAHLLOKOSA-N 2 1 303.406 2.722 50 0 DFAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000065423112 184342158 /nfs/dbraw/zinc/34/21/58/184342158.db2.gz WZFSACSSRRBZLD-OAHLLOKOSA-N 2 1 303.406 2.722 50 0 DFAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cc(C[NH+]3CCCCC3)cs1)C2 ZINC000426712578 257243701 /nfs/dbraw/zinc/24/37/01/257243701.db2.gz FJFFXQYPVAUDMP-VQFNDLOPSA-N 3 1 319.518 2.903 50 0 DFAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(C[NH+]3CCCCC3)cs1)C2 ZINC000426712578 257243703 /nfs/dbraw/zinc/24/37/03/257243703.db2.gz FJFFXQYPVAUDMP-VQFNDLOPSA-N 3 1 319.518 2.903 50 0 DFAAMP Fc1ccc(N2CC[C@@H]([N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426395408 257252396 /nfs/dbraw/zinc/25/23/96/257252396.db2.gz QEXSSHRCELLKKG-GOSISDBHSA-N 2 1 317.452 2.870 50 0 DFAAMP C[C@@H](C1CC[NH+](Cc2cc(F)cc(F)c2)CC1)[NH+]1CCOCC1 ZINC000072408329 257270791 /nfs/dbraw/zinc/27/07/91/257270791.db2.gz UXHXEKCJBDEJOM-AWEZNQCLSA-N 2 1 324.415 2.898 50 0 DFAAMP CC(C)C(=O)N1CCC(C[NH2+][C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000067472879 425910627 /nfs/dbraw/zinc/91/06/27/425910627.db2.gz FSAIWLQPJKVCNY-KRWDZBQOSA-N 2 1 323.525 2.735 50 0 DFAAMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000067676766 425912490 /nfs/dbraw/zinc/91/24/90/425912490.db2.gz VABDJHHSMDXSFY-SFHVURJKSA-N 2 1 304.434 2.669 50 0 DFAAMP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000067676766 425912491 /nfs/dbraw/zinc/91/24/91/425912491.db2.gz VABDJHHSMDXSFY-SFHVURJKSA-N 2 1 304.434 2.669 50 0 DFAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000008377226 425667957 /nfs/dbraw/zinc/66/79/57/425667957.db2.gz JXSUSKQYXXWGKZ-UHFFFAOYSA-N 2 1 314.429 2.973 50 0 DFAAMP Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])N[C@@H]2c2ccccc2F)c1 ZINC000006785879 425629665 /nfs/dbraw/zinc/62/96/65/425629665.db2.gz HVMDMOSGUIRAPN-HNNXBMFYSA-N 2 1 311.364 2.591 50 0 DFAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012715237 425734973 /nfs/dbraw/zinc/73/49/73/425734973.db2.gz IJNUGXOECPBXHV-INIZCTEOSA-N 2 1 321.509 2.630 50 0 DFAAMP Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCC[NH2+]CCO)o1 ZINC000013733170 425760904 /nfs/dbraw/zinc/76/09/04/425760904.db2.gz UVHKQSHDBUZEOQ-UHFFFAOYSA-N 2 1 322.836 2.970 50 0 DFAAMP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000077392555 426132385 /nfs/dbraw/zinc/13/23/85/426132385.db2.gz UMVOMNBAIUVZSY-LJQANCHMSA-N 2 1 302.462 2.542 50 0 DFAAMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(SC)cc3)C2)CC1 ZINC000171530024 426192621 /nfs/dbraw/zinc/19/26/21/426192621.db2.gz GCCLHZGPQVRAAP-KRWDZBQOSA-N 2 1 319.518 2.620 50 0 DFAAMP COc1ccc(CC[NH2+][C@H](C)Cn2c[nH+]c(C)c2C)cc1OC ZINC000089547606 426296601 /nfs/dbraw/zinc/29/66/01/426296601.db2.gz QLLGNVKEADMFLQ-CYBMUJFWSA-N 2 1 317.433 2.738 50 0 DFAAMP Cc1cccc([C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)[NH+](C)C)c1 ZINC000095381972 426370951 /nfs/dbraw/zinc/37/09/51/426370951.db2.gz GIVAYZRQBDBHHN-KRWDZBQOSA-N 2 1 317.477 2.588 50 0 DFAAMP Cc1cccc([C@H](C(=O)NC(C)(C)C[NH+]2CCCC2)[NH+](C)C)c1 ZINC000095381973 426371337 /nfs/dbraw/zinc/37/13/37/426371337.db2.gz GIVAYZRQBDBHHN-QGZVFWFLSA-N 2 1 317.477 2.588 50 0 DFAAMP Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2C)c1 ZINC000097159356 426455101 /nfs/dbraw/zinc/45/51/01/426455101.db2.gz HEDAYCHQYVXJMK-UHFFFAOYSA-N 2 1 309.417 2.870 50 0 DFAAMP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000097229000 426460291 /nfs/dbraw/zinc/46/02/91/426460291.db2.gz GUKIXORTYCIUMN-IEBWSBKVSA-N 2 1 301.478 2.582 50 0 DFAAMP Cc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OCCO2 ZINC000215612170 426552505 /nfs/dbraw/zinc/55/25/05/426552505.db2.gz FGDZIWOWQOSEKI-MRXNPFEDSA-N 2 1 304.434 2.682 50 0 DFAAMP Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OCCO2 ZINC000215612170 426552508 /nfs/dbraw/zinc/55/25/08/426552508.db2.gz FGDZIWOWQOSEKI-MRXNPFEDSA-N 2 1 304.434 2.682 50 0 DFAAMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000225514247 426603292 /nfs/dbraw/zinc/60/32/92/426603292.db2.gz JUOPBAQLZQBKFK-FHWLQOOXSA-N 2 1 305.510 2.691 50 0 DFAAMP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000274153641 426718860 /nfs/dbraw/zinc/71/88/60/426718860.db2.gz ZMEFBGKLOIKYQA-KRWDZBQOSA-N 2 1 312.461 2.568 50 0 DFAAMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176819 /nfs/dbraw/zinc/17/68/19/427176819.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 1 313.445 2.645 50 0 DFAAMP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176824 /nfs/dbraw/zinc/17/68/24/427176824.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 1 313.445 2.645 50 0 DFAAMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000252536926 427187842 /nfs/dbraw/zinc/18/78/42/427187842.db2.gz JUOPBAQLZQBKFK-IPMKNSEASA-N 2 1 305.510 2.691 50 0 DFAAMP OC[C@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091468859 275050136 /nfs/dbraw/zinc/05/01/36/275050136.db2.gz XGEHPLIRLIBBOQ-WOJBJXKFSA-N 2 1 316.489 2.645 50 0 DFAAMP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@@H]1CO ZINC000091689925 193091589 /nfs/dbraw/zinc/09/15/89/193091589.db2.gz WZWNOCIGEJOSFD-RTBURBONSA-N 2 1 304.478 2.802 50 0 DFAAMP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@@H]1CO ZINC000091689925 193091591 /nfs/dbraw/zinc/09/15/91/193091591.db2.gz WZWNOCIGEJOSFD-RTBURBONSA-N 2 1 304.478 2.802 50 0 DFAAMP CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1CO ZINC000091689925 193091593 /nfs/dbraw/zinc/09/15/93/193091593.db2.gz WZWNOCIGEJOSFD-RTBURBONSA-N 2 1 304.478 2.802 50 0 DFAAMP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@@H]1CO ZINC000091689925 193091594 /nfs/dbraw/zinc/09/15/94/193091594.db2.gz WZWNOCIGEJOSFD-RTBURBONSA-N 2 1 304.478 2.802 50 0 DFAAMP COCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091794171 193109454 /nfs/dbraw/zinc/10/94/54/193109454.db2.gz YRALBPLQINBZNW-GOSISDBHSA-N 2 1 302.462 2.834 50 0 DFAAMP NC(=[NH2+])NC(=[NH2+])Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000020459032 182220272 /nfs/dbraw/zinc/22/02/72/182220272.db2.gz MMHVRLVMFXEFPN-UHFFFAOYSA-N 2 1 303.753 2.962 50 0 DFAAMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000040623324 183109458 /nfs/dbraw/zinc/10/94/58/183109458.db2.gz HSRQSVXWFVPGOV-CYBMUJFWSA-N 2 1 304.463 2.958 50 0 DFAAMP CN(Cc1cc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@@H+](C)C1 ZINC000223399241 542885683 /nfs/dbraw/zinc/88/56/83/542885683.db2.gz LKYSPYZCHZAQDU-MRXNPFEDSA-N 2 1 307.507 2.870 50 0 DFAAMP CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1C[NH+](C)C ZINC000670438207 544040290 /nfs/dbraw/zinc/04/02/90/544040290.db2.gz CGEPVHNJSDTRIV-QGZVFWFLSA-N 2 1 320.477 2.740 50 0 DFAAMP C[N@@H+]1CCC[C@H](C[NH+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973641 425776932 /nfs/dbraw/zinc/77/69/32/425776932.db2.gz LEYJWIRJHIMMAP-IBGZPJMESA-N 2 1 318.505 2.891 50 0 DFAAMP C[N@H+]1CCC[C@H](C[NH+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973641 425776936 /nfs/dbraw/zinc/77/69/36/425776936.db2.gz LEYJWIRJHIMMAP-IBGZPJMESA-N 2 1 318.505 2.891 50 0 DFAAMP C[NH+]1CCC[C@H](C[N@H+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973641 425776940 /nfs/dbraw/zinc/77/69/40/425776940.db2.gz LEYJWIRJHIMMAP-IBGZPJMESA-N 2 1 318.505 2.891 50 0 DFAAMP C[NH+]1CCC[C@H](C[N@@H+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973641 425776941 /nfs/dbraw/zinc/77/69/41/425776941.db2.gz LEYJWIRJHIMMAP-IBGZPJMESA-N 2 1 318.505 2.891 50 0 DFAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000077340044 426127499 /nfs/dbraw/zinc/12/74/99/426127499.db2.gz KKVMWEWVRAGMSU-UHFFFAOYSA-N 3 1 324.472 2.604 50 0 DFAAMP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000077506122 426136471 /nfs/dbraw/zinc/13/64/71/426136471.db2.gz RCRWFUZMCRMXEU-HXUWFJFHSA-N 3 1 315.505 2.886 50 0 DFAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000077506122 426136474 /nfs/dbraw/zinc/13/64/74/426136474.db2.gz RCRWFUZMCRMXEU-HXUWFJFHSA-N 3 1 315.505 2.886 50 0 DFAAMP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000089895701 426316399 /nfs/dbraw/zinc/31/63/99/426316399.db2.gz XVKAEHGVTPFZJP-KRWDZBQOSA-N 2 1 304.478 2.786 50 0 DFAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2ccccn2)CC1 ZINC000095355195 426366941 /nfs/dbraw/zinc/36/69/41/426366941.db2.gz CUKXKSXSNCOZSB-UHFFFAOYSA-N 2 1 313.449 2.614 50 0 DFAAMP c1ccc2c(c1)C[C@H](C[N@H+]1CCC3(C1)CC[NH2+]CC3)CCO2 ZINC000095519747 426373794 /nfs/dbraw/zinc/37/37/94/426373794.db2.gz YKMHAPJCIKWKRX-MRXNPFEDSA-N 2 1 300.446 2.703 50 0 DFAAMP Cc1cccc(NC2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)[nH+]1 ZINC000095987364 426383816 /nfs/dbraw/zinc/38/38/16/426383816.db2.gz XZKASDNNMMHGNO-ICSRJNTNSA-N 2 1 323.440 2.925 50 0 DFAAMP C[C@@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096414942 426418650 /nfs/dbraw/zinc/41/86/50/426418650.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000096414942 426418654 /nfs/dbraw/zinc/41/86/54/426418654.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H]1C[C@@H]([N@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414942 426418656 /nfs/dbraw/zinc/41/86/56/426418656.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414942 426418660 /nfs/dbraw/zinc/41/86/60/426418660.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491278 426435838 /nfs/dbraw/zinc/43/58/38/426435838.db2.gz IDXPHEUFTGJFRC-HOCLYGCPSA-N 2 1 317.433 2.778 50 0 DFAAMP Cc1cccc(NCc2ccccc2C[NH+]2CCC(O)CC2)[nH+]1 ZINC000097096486 426448729 /nfs/dbraw/zinc/44/87/29/426448729.db2.gz FWCKIJPVDHAHQT-UHFFFAOYSA-N 2 1 311.429 2.959 50 0 DFAAMP CN1CCC[N@@H+](C/C=C/c2ccc(F)cc2)CC12CC[NH2+]CC2 ZINC000097515217 426468884 /nfs/dbraw/zinc/46/88/84/426468884.db2.gz IZAOCOQJSSFZEN-DUXPYHPUSA-N 2 1 317.452 2.599 50 0 DFAAMP CC[N@@H+](C)C1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CCCCC1 ZINC000222451384 426584556 /nfs/dbraw/zinc/58/45/56/426584556.db2.gz PMRNFUVDZZGIJF-SHTZXODSSA-N 2 1 317.481 2.748 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000240163608 426713211 /nfs/dbraw/zinc/71/32/11/426713211.db2.gz JCHDGFBLJYHWFT-MRXNPFEDSA-N 2 1 312.417 2.572 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000240163608 426713214 /nfs/dbraw/zinc/71/32/14/426713214.db2.gz JCHDGFBLJYHWFT-MRXNPFEDSA-N 2 1 312.417 2.572 50 0 DFAAMP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187879047 426701142 /nfs/dbraw/zinc/70/11/42/426701142.db2.gz HTMAQKVLQJFIKI-OALUTQOASA-N 2 1 302.462 2.587 50 0 DFAAMP O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237994404 426702461 /nfs/dbraw/zinc/70/24/61/426702461.db2.gz HTMAQKVLQJFIKI-MOPGFXCFSA-N 2 1 302.462 2.587 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000246005723 426790862 /nfs/dbraw/zinc/79/08/62/426790862.db2.gz HDOSKDIKWPTDKM-IBGZPJMESA-N 2 1 319.468 2.820 50 0 DFAAMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC3=CCCOC3)C1)CCCC2 ZINC000275592036 426875931 /nfs/dbraw/zinc/87/59/31/426875931.db2.gz KHXOHCQFNMNPIF-INIZCTEOSA-N 2 1 301.434 2.664 50 0 DFAAMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC3=CCCOC3)C1)CCCC2 ZINC000275592036 426875936 /nfs/dbraw/zinc/87/59/36/426875936.db2.gz KHXOHCQFNMNPIF-INIZCTEOSA-N 2 1 301.434 2.664 50 0 DFAAMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC3=CCCOC3)C1)CCCC2 ZINC000275592041 426875993 /nfs/dbraw/zinc/87/59/93/426875993.db2.gz KHXOHCQFNMNPIF-MRXNPFEDSA-N 2 1 301.434 2.664 50 0 DFAAMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC3=CCCOC3)C1)CCCC2 ZINC000275592041 426875999 /nfs/dbraw/zinc/87/59/99/426875999.db2.gz KHXOHCQFNMNPIF-MRXNPFEDSA-N 2 1 301.434 2.664 50 0 DFAAMP Clc1ccc2ncc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)n2c1 ZINC000275611466 426881474 /nfs/dbraw/zinc/88/14/74/426881474.db2.gz QYFPRNSFBGLJPP-GFCCVEGCSA-N 2 1 315.808 2.536 50 0 DFAAMP c1cc(C2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n[nH]1 ZINC000299792400 427770432 /nfs/dbraw/zinc/77/04/32/427770432.db2.gz FDRJLRSXSPMIPS-FUHWJXTLSA-N 2 1 302.466 2.854 50 0 DFAAMP c1cc(C2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n[nH]1 ZINC000299792400 427770434 /nfs/dbraw/zinc/77/04/34/427770434.db2.gz FDRJLRSXSPMIPS-FUHWJXTLSA-N 2 1 302.466 2.854 50 0 DFAAMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000129908430 323212055 /nfs/dbraw/zinc/21/20/55/323212055.db2.gz IPHWBHREAUEDSE-CHWSQXEVSA-N 2 1 308.388 2.808 50 0 DFAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1nn(C)c2ccc(C)cc12 ZINC000534590052 334293828 /nfs/dbraw/zinc/29/38/28/334293828.db2.gz STXYNTOCSUFKKY-AWEZNQCLSA-N 2 1 311.433 2.955 50 0 DFAAMP OC[C@@H]1CCCC[N@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000000757722 398346411 /nfs/dbraw/zinc/34/64/11/398346411.db2.gz OMZWBQCUDFGCOD-IBGZPJMESA-N 2 1 302.462 2.540 50 0 DFAAMP OC[C@@H]1CCCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757722 398346412 /nfs/dbraw/zinc/34/64/12/398346412.db2.gz OMZWBQCUDFGCOD-IBGZPJMESA-N 2 1 302.462 2.540 50 0 DFAAMP OC[C@@H]1CCCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757722 398346413 /nfs/dbraw/zinc/34/64/13/398346413.db2.gz OMZWBQCUDFGCOD-IBGZPJMESA-N 2 1 302.462 2.540 50 0 DFAAMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000090518814 185300082 /nfs/dbraw/zinc/30/00/82/185300082.db2.gz WJIJBPIVNYPBCD-QZTJIDSGSA-N 2 1 310.445 2.897 50 0 DFAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC000072170116 191067737 /nfs/dbraw/zinc/06/77/37/191067737.db2.gz VTRRFOMIOBVFTQ-LJQANCHMSA-N 2 1 313.445 2.513 50 0 DFAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC000072170115 191067829 /nfs/dbraw/zinc/06/78/29/191067829.db2.gz VTRRFOMIOBVFTQ-IBGZPJMESA-N 2 1 313.445 2.513 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000253370587 186301709 /nfs/dbraw/zinc/30/17/09/186301709.db2.gz STQRGHGRXRYHLJ-UXHICEINSA-N 2 1 315.505 2.940 50 0 DFAAMP C[C@@H]([NH2+]Cc1cccn1CC[NH+]1CCOCC1)c1ccccc1 ZINC000004681399 181136347 /nfs/dbraw/zinc/13/63/47/181136347.db2.gz YVEKMLDJMIOZMW-QGZVFWFLSA-N 2 1 313.445 2.671 50 0 DFAAMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC1OCCO1 ZINC000124585875 398803903 /nfs/dbraw/zinc/80/39/03/398803903.db2.gz RXUIKAGYYMDHRX-WMZOPIPTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC1OCCO1 ZINC000124585875 398803907 /nfs/dbraw/zinc/80/39/07/398803907.db2.gz RXUIKAGYYMDHRX-WMZOPIPTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC1OCCO1 ZINC000124585875 398803910 /nfs/dbraw/zinc/80/39/10/398803910.db2.gz RXUIKAGYYMDHRX-WMZOPIPTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC1OCCO1 ZINC000124585875 398803915 /nfs/dbraw/zinc/80/39/15/398803915.db2.gz RXUIKAGYYMDHRX-WMZOPIPTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC1OCCO1 ZINC000124585875 398803919 /nfs/dbraw/zinc/80/39/19/398803919.db2.gz RXUIKAGYYMDHRX-WMZOPIPTSA-N 2 1 318.461 2.592 50 0 DFAAMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH+](CC1CC1)CC2 ZINC000169782212 399001168 /nfs/dbraw/zinc/00/11/68/399001168.db2.gz ZAOQJYHMIKYFOW-LJQANCHMSA-N 2 1 314.473 2.603 50 0 DFAAMP O[C@]12CC[NH2+]C[C@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1)CC2 ZINC000091288554 193032080 /nfs/dbraw/zinc/03/20/80/193032080.db2.gz JAKRMXSVFYWABM-SFTDATJTSA-N 2 1 322.452 2.900 50 0 DFAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)CC(C)C)CC1 ZINC000012307636 181748195 /nfs/dbraw/zinc/74/81/95/181748195.db2.gz HMSZZBGPWLDEFI-UHFFFAOYSA-N 2 1 319.493 2.898 50 0 DFAAMP CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000037976774 542433490 /nfs/dbraw/zinc/43/34/90/542433490.db2.gz NAANOPDKAUDVSY-UHFFFAOYSA-N 2 1 312.841 2.931 50 0 DFAAMP C[N@@H+](CCCNC(=[NH2+])NCc1ccccc1)Cc1ccccc1 ZINC000057752206 425897174 /nfs/dbraw/zinc/89/71/74/425897174.db2.gz SDEDFDSLBHBWNM-UHFFFAOYSA-N 2 1 310.445 2.823 50 0 DFAAMP CCCCc1nc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000067878556 425914304 /nfs/dbraw/zinc/91/43/04/425914304.db2.gz KLQYILJNDQZLCJ-UHFFFAOYSA-N 2 1 310.873 2.981 50 0 DFAAMP Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664250 425710792 /nfs/dbraw/zinc/71/07/92/425710792.db2.gz NYPJELBGZLRNJU-GOSISDBHSA-N 2 1 318.509 2.918 50 0 DFAAMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1Br ZINC000034996634 425842797 /nfs/dbraw/zinc/84/27/97/425842797.db2.gz NVQNSPQDEQWMSP-UHFFFAOYSA-N 2 1 313.239 2.642 50 0 DFAAMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000069737632 425955824 /nfs/dbraw/zinc/95/58/24/425955824.db2.gz RDWSKXWUDUPJHK-GOSISDBHSA-N 2 1 317.477 2.657 50 0 DFAAMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000090518815 426327805 /nfs/dbraw/zinc/32/78/05/426327805.db2.gz WJIJBPIVNYPBCD-ZWKOTPCHSA-N 2 1 310.445 2.897 50 0 DFAAMP CCc1c(C)[nH+]c(N)nc1NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000095383364 426370608 /nfs/dbraw/zinc/37/06/08/426370608.db2.gz PHBMPNSHRLVCEK-ZDUSSCGKSA-N 2 1 303.454 2.606 50 0 DFAAMP Cc1cccc(N2CCC([NH2+][C@@H]3CN(C(C)C)C[C@@H]3C)CC2)[nH+]1 ZINC000095422611 426371958 /nfs/dbraw/zinc/37/19/58/426371958.db2.gz IIWXNRHDSOHGAU-MAUKXSAKSA-N 2 1 316.493 2.677 50 0 DFAAMP O[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000096473717 426432013 /nfs/dbraw/zinc/43/20/13/426432013.db2.gz WHZYZBLBNMPFJK-KRWDZBQOSA-N 2 1 317.820 2.591 50 0 DFAAMP Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000097200683 426457868 /nfs/dbraw/zinc/45/78/68/426457868.db2.gz LSFWEUAHTZFWEW-HNNXBMFYSA-N 2 1 300.406 2.929 50 0 DFAAMP [NH3+]CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000216170270 426556574 /nfs/dbraw/zinc/55/65/74/426556574.db2.gz XQXJTICYXFHXLW-IBGZPJMESA-N 2 1 310.441 2.868 50 0 DFAAMP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)c2cccnc12 ZINC000243914770 426721827 /nfs/dbraw/zinc/72/18/27/426721827.db2.gz BKMWLGYPZPDDEW-UHFFFAOYSA-N 2 1 310.401 2.880 50 0 DFAAMP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)c2cccnc12 ZINC000243914770 426721831 /nfs/dbraw/zinc/72/18/31/426721831.db2.gz BKMWLGYPZPDDEW-UHFFFAOYSA-N 2 1 310.401 2.880 50 0 DFAAMP Cc1[nH+]ccn1CC[N@@H+](C)CCC(=O)Nc1cccc(C)c1C ZINC000244899558 426730908 /nfs/dbraw/zinc/73/09/08/426730908.db2.gz ZLUAIJBEFJNPMG-UHFFFAOYSA-N 2 1 314.433 2.769 50 0 DFAAMP Cc1[nH+]ccn1CC[N@H+](C)CCC(=O)Nc1cccc(C)c1C ZINC000244899558 426730913 /nfs/dbraw/zinc/73/09/13/426730913.db2.gz ZLUAIJBEFJNPMG-UHFFFAOYSA-N 2 1 314.433 2.769 50 0 DFAAMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000248051496 426978567 /nfs/dbraw/zinc/97/85/67/426978567.db2.gz XMLCYXIZXQJSCG-AEFFLSMTSA-N 2 1 317.477 2.526 50 0 DFAAMP Cc1ncccc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190473074 427117437 /nfs/dbraw/zinc/11/74/37/427117437.db2.gz VRGXSAIGDXMSSR-GOSISDBHSA-N 2 1 310.445 2.739 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000252481524 427176890 /nfs/dbraw/zinc/17/68/90/427176890.db2.gz CNLGDFHHDLOVPJ-UHFFFAOYSA-N 2 1 301.438 2.706 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000252481524 427176894 /nfs/dbraw/zinc/17/68/94/427176894.db2.gz CNLGDFHHDLOVPJ-UHFFFAOYSA-N 2 1 301.438 2.706 50 0 DFAAMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000121722547 277615671 /nfs/dbraw/zinc/61/56/71/277615671.db2.gz LAUSQEGNZKVTTA-APWZRJJASA-N 2 1 302.462 2.851 50 0 DFAAMP c1ccc(CCC[N@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072454133 191170770 /nfs/dbraw/zinc/17/07/70/191170770.db2.gz VGRWUKDHVGBNTC-HXUWFJFHSA-N 2 1 315.505 2.627 50 0 DFAAMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnn4ccccc34)C2)[nH+]1 ZINC000179857498 199089396 /nfs/dbraw/zinc/08/93/96/199089396.db2.gz AGZXNGUERGOCMJ-MRXNPFEDSA-N 2 1 321.428 2.972 50 0 DFAAMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)[nH+]1 ZINC000179857498 199089397 /nfs/dbraw/zinc/08/93/97/199089397.db2.gz AGZXNGUERGOCMJ-MRXNPFEDSA-N 2 1 321.428 2.972 50 0 DFAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCO)CC2)C1 ZINC000091585940 193075312 /nfs/dbraw/zinc/07/53/12/193075312.db2.gz ABESPZMGUGLDLE-SFHVURJKSA-N 2 1 302.462 2.570 50 0 DFAAMP C[C@@H]1C[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)CC[C@]1(C)O ZINC000091707395 193095022 /nfs/dbraw/zinc/09/50/22/193095022.db2.gz LLUUNBDTDNMLRG-PBHICJAKSA-N 2 1 308.491 2.937 50 0 DFAAMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1CO ZINC000091849090 193117186 /nfs/dbraw/zinc/11/71/86/193117186.db2.gz MJIVDVSYXQAXOB-NHCUHLMSSA-N 2 1 324.468 2.956 50 0 DFAAMP CSc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000092097988 193157546 /nfs/dbraw/zinc/15/75/46/193157546.db2.gz GCPCPPRTXYMKIT-IAGOWNOFSA-N 2 1 320.502 2.545 50 0 DFAAMP CSc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000092097988 193157548 /nfs/dbraw/zinc/15/75/48/193157548.db2.gz GCPCPPRTXYMKIT-IAGOWNOFSA-N 2 1 320.502 2.545 50 0 DFAAMP CCOc1ccc(Br)cc1C[NH2+]CCC[NH2+]C ZINC000008324506 181548337 /nfs/dbraw/zinc/54/83/37/181548337.db2.gz AUYJEKKAIXCJSA-UHFFFAOYSA-N 2 1 301.228 2.547 50 0 DFAAMP CCc1[nH]c(CN(CC[NH+](C)C)Cc2ccsc2)c(C)[nH+]1 ZINC000055227934 425892631 /nfs/dbraw/zinc/89/26/31/425892631.db2.gz SXKGUHMJOMTBEV-UHFFFAOYSA-N 2 1 306.479 2.906 50 0 DFAAMP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cc1C ZINC000067540246 425911276 /nfs/dbraw/zinc/91/12/76/425911276.db2.gz WOPQMIKAKHNAKP-UHFFFAOYSA-N 2 1 315.505 2.824 50 0 DFAAMP c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)n[nH]1 ZINC000067856465 425913988 /nfs/dbraw/zinc/91/39/88/425913988.db2.gz HUGDWGSPSMXGBU-MRXNPFEDSA-N 2 1 302.447 2.714 50 0 DFAAMP c1cc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)n[nH]1 ZINC000067856465 425913989 /nfs/dbraw/zinc/91/39/89/425913989.db2.gz HUGDWGSPSMXGBU-MRXNPFEDSA-N 2 1 302.447 2.714 50 0 DFAAMP CC[NH+]1CCC(N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000033394717 425842159 /nfs/dbraw/zinc/84/21/59/425842159.db2.gz FSIRVZKFRCLPGT-TWGQIWQCSA-N 2 1 313.489 2.802 50 0 DFAAMP CC[NH+]1CCC([NH+]2CCC(n3cc(CC(C)C)nn3)CC2)CC1 ZINC000048179642 425873554 /nfs/dbraw/zinc/87/35/54/425873554.db2.gz JXVROGGHZLORBE-UHFFFAOYSA-N 2 1 319.497 2.598 50 0 DFAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC000104064334 425957613 /nfs/dbraw/zinc/95/76/13/425957613.db2.gz CWJQCQXYAQKYKQ-SKHCZCESSA-N 2 1 302.462 2.724 50 0 DFAAMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000072308463 426013841 /nfs/dbraw/zinc/01/38/41/426013841.db2.gz HUWWNLRELSNFMS-CQSZACIVSA-N 2 1 311.420 2.595 50 0 DFAAMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000096441484 426426044 /nfs/dbraw/zinc/42/60/44/426426044.db2.gz GHAYFRJDZFZRTF-GOSISDBHSA-N 2 1 315.461 2.953 50 0 DFAAMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000096441484 426426046 /nfs/dbraw/zinc/42/60/46/426426046.db2.gz GHAYFRJDZFZRTF-GOSISDBHSA-N 2 1 315.461 2.953 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000096484354 426435170 /nfs/dbraw/zinc/43/51/70/426435170.db2.gz YDMLKFFQWJASGX-SFDCBXKLSA-N 2 1 310.388 2.603 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000096484354 426435172 /nfs/dbraw/zinc/43/51/72/426435172.db2.gz YDMLKFFQWJASGX-SFDCBXKLSA-N 2 1 310.388 2.603 50 0 DFAAMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491282 426435431 /nfs/dbraw/zinc/43/54/31/426435431.db2.gz IDXPHEUFTGJFRC-GOEBONIOSA-N 2 1 317.433 2.778 50 0 DFAAMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000097095604 426448634 /nfs/dbraw/zinc/44/86/34/426448634.db2.gz TZTWOBFAERGGMI-QGZVFWFLSA-N 2 1 306.450 2.533 50 0 DFAAMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000097095604 426448638 /nfs/dbraw/zinc/44/86/38/426448638.db2.gz TZTWOBFAERGGMI-QGZVFWFLSA-N 2 1 306.450 2.533 50 0 DFAAMP OC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000215034293 426549783 /nfs/dbraw/zinc/54/97/83/426549783.db2.gz IQLUBLQIHYIWAT-UHFFFAOYSA-N 2 1 308.853 2.763 50 0 DFAAMP c1ccc(C[N@H+]2C[C@H]3CN(CC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000280426665 426574371 /nfs/dbraw/zinc/57/43/71/426574371.db2.gz MFQXOKRJNKNXGL-BGYRXZFFSA-N 2 1 313.489 2.536 50 0 DFAAMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000275613916 426881288 /nfs/dbraw/zinc/88/12/88/426881288.db2.gz REFIKHXSUACGSU-PBHICJAKSA-N 2 1 311.429 2.601 50 0 DFAAMP COc1ccccc1OCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000252483987 427177936 /nfs/dbraw/zinc/17/79/36/427177936.db2.gz FLRKPQHFGQGNBM-INIZCTEOSA-N 2 1 306.450 2.880 50 0 DFAAMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000253425754 427207272 /nfs/dbraw/zinc/20/72/72/427207272.db2.gz HDTUJELYLUPJEM-APWZRJJASA-N 2 1 319.468 2.592 50 0 DFAAMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000253425754 427207277 /nfs/dbraw/zinc/20/72/77/427207277.db2.gz HDTUJELYLUPJEM-APWZRJJASA-N 2 1 319.468 2.592 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000245344212 398382145 /nfs/dbraw/zinc/38/21/45/398382145.db2.gz YDMLKFFQWJASGX-LKQDWFRTSA-N 2 1 310.388 2.603 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000245344212 398382147 /nfs/dbraw/zinc/38/21/47/398382147.db2.gz YDMLKFFQWJASGX-LKQDWFRTSA-N 2 1 310.388 2.603 50 0 DFAAMP Cc1ccc2ncc(C[N@H+](C)C[C@H]3CCc4[nH+]ccn4C3)n2c1 ZINC000328630940 398567778 /nfs/dbraw/zinc/56/77/78/398567778.db2.gz JXOXLOAABWFHTO-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1ccc2ncc(C[N@@H+](C)C[C@H]3CCc4[nH+]ccn4C3)n2c1 ZINC000328630940 398567781 /nfs/dbraw/zinc/56/77/81/398567781.db2.gz JXOXLOAABWFHTO-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP C[N@@H+](Cc1cc(C(N)=O)cs1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328634969 398568896 /nfs/dbraw/zinc/56/88/96/398568896.db2.gz MZXCTMSKDUVQHC-LLVKDONJSA-N 2 1 304.419 2.522 50 0 DFAAMP C[N@H+](Cc1cc(C(N)=O)cs1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328634969 398568898 /nfs/dbraw/zinc/56/88/98/398568898.db2.gz MZXCTMSKDUVQHC-LLVKDONJSA-N 2 1 304.419 2.522 50 0 DFAAMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000097236844 398666932 /nfs/dbraw/zinc/66/69/32/398666932.db2.gz GJYZAZFFKAOFCP-CYBMUJFWSA-N 2 1 316.474 2.820 50 0 DFAAMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000097236844 398666934 /nfs/dbraw/zinc/66/69/34/398666934.db2.gz GJYZAZFFKAOFCP-CYBMUJFWSA-N 2 1 316.474 2.820 50 0 DFAAMP Cc1cc(N2CCN(Cc3ccc(CC[NH3+])cc3)CC2)cc(C)[nH+]1 ZINC000072474307 191176580 /nfs/dbraw/zinc/17/65/80/191176580.db2.gz LRPCBIZQHXOTNW-UHFFFAOYSA-N 2 1 324.472 2.522 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c(C)c1 ZINC000077489739 191724343 /nfs/dbraw/zinc/72/43/43/191724343.db2.gz CUGQGXLECAGGLT-IBGZPJMESA-N 2 1 302.462 2.726 50 0 DFAAMP Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c(C)c1 ZINC000077489739 191724345 /nfs/dbraw/zinc/72/43/45/191724345.db2.gz CUGQGXLECAGGLT-IBGZPJMESA-N 2 1 302.462 2.726 50 0 DFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414154 199155825 /nfs/dbraw/zinc/15/58/25/199155825.db2.gz ZTOLSCYQHXNOCL-RKVPGOIHSA-N 2 1 312.461 2.905 50 0 DFAAMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789830 399000978 /nfs/dbraw/zinc/00/09/78/399000978.db2.gz CDSQBRCXGOMTDS-HNNXBMFYSA-N 2 1 324.415 2.755 50 0 DFAAMP Cc1ccccc1C[N@@H+]1CC[C@H](CNc2nc(N)[nH+]cc2C)C1 ZINC000091327027 193042450 /nfs/dbraw/zinc/04/24/50/193042450.db2.gz BERVRFLWSBFJBQ-OAHLLOKOSA-N 2 1 311.433 2.610 50 0 DFAAMP Cc1ccccc1C[N@H+]1CC[C@H](CNc2nc(N)[nH+]cc2C)C1 ZINC000091327027 193042453 /nfs/dbraw/zinc/04/24/53/193042453.db2.gz BERVRFLWSBFJBQ-OAHLLOKOSA-N 2 1 311.433 2.610 50 0 DFAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@](CO)(CC3CC3)C2)c1 ZINC000091586848 193075368 /nfs/dbraw/zinc/07/53/68/193075368.db2.gz SVGJKQKAIOJTGH-LJQANCHMSA-N 2 1 302.462 2.562 50 0 DFAAMP CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)cc1C[NH+](C)C ZINC000670438206 544040225 /nfs/dbraw/zinc/04/02/25/544040225.db2.gz CGEPVHNJSDTRIV-KRWDZBQOSA-N 2 1 320.477 2.740 50 0 DFAAMP CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000067920791 425914694 /nfs/dbraw/zinc/91/46/94/425914694.db2.gz ULHOHTIILQWIGK-CQSZACIVSA-N 2 1 316.424 2.989 50 0 DFAAMP CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000067920791 425914695 /nfs/dbraw/zinc/91/46/95/425914695.db2.gz ULHOHTIILQWIGK-CQSZACIVSA-N 2 1 316.424 2.989 50 0 DFAAMP CC[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000067920791 425914696 /nfs/dbraw/zinc/91/46/96/425914696.db2.gz ULHOHTIILQWIGK-CQSZACIVSA-N 2 1 316.424 2.989 50 0 DFAAMP c1ccc(CN2CCC([N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947622 425914833 /nfs/dbraw/zinc/91/48/33/425914833.db2.gz UJBGGBGNLADJCH-HXUWFJFHSA-N 2 1 313.489 2.727 50 0 DFAAMP c1ccc(CN2CCC([N@H+]3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947622 425914834 /nfs/dbraw/zinc/91/48/34/425914834.db2.gz UJBGGBGNLADJCH-HXUWFJFHSA-N 2 1 313.489 2.727 50 0 DFAAMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000035446603 425844312 /nfs/dbraw/zinc/84/43/12/425844312.db2.gz BUUAUDYNFRAFIK-LBPRGKRZSA-N 2 1 302.397 2.586 50 0 biogenic,in-vitro DFAAMP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000035446603 425844313 /nfs/dbraw/zinc/84/43/13/425844313.db2.gz BUUAUDYNFRAFIK-LBPRGKRZSA-N 2 1 302.397 2.586 50 0 biogenic,in-vitro DFAAMP C[C@@H](CC(=O)NC(=[NH2+])NCCCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000071773519 425988757 /nfs/dbraw/zinc/98/87/57/425988757.db2.gz FIMXKRNPMASEEN-ZDUSSCGKSA-N 2 1 319.453 2.589 50 0 DFAAMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628446 425950881 /nfs/dbraw/zinc/95/08/81/425950881.db2.gz ZFKUTTWFQQJXMI-CYBMUJFWSA-N 2 1 312.404 2.662 50 0 DFAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000069658895 425952122 /nfs/dbraw/zinc/95/21/22/425952122.db2.gz MWZDUOIQGMEPFU-LBPRGKRZSA-N 2 1 316.898 2.926 50 0 DFAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC000104064339 425957518 /nfs/dbraw/zinc/95/75/18/425957518.db2.gz CWJQCQXYAQKYKQ-UXHZXRBQSA-N 2 1 302.462 2.724 50 0 DFAAMP COc1ccc2[nH]nc(C[NH+]3CCC([C@@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407433 426132420 /nfs/dbraw/zinc/13/24/20/426132420.db2.gz IVKOUPLAWQXJHP-CYBMUJFWSA-N 2 1 316.449 2.734 50 0 DFAAMP C[C@@H](CCC[NH+](C)C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000096013344 426388660 /nfs/dbraw/zinc/38/86/60/426388660.db2.gz FGMNNUMZCHKYSF-FUHWJXTLSA-N 2 1 318.461 2.925 50 0 DFAAMP C[C@@H](CCC[NH+](C)C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000096013344 426388665 /nfs/dbraw/zinc/38/86/65/426388665.db2.gz FGMNNUMZCHKYSF-FUHWJXTLSA-N 2 1 318.461 2.925 50 0 DFAAMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000097162470 426456135 /nfs/dbraw/zinc/45/61/35/426456135.db2.gz SNGHYMFXKHLNSM-INIZCTEOSA-N 2 1 300.450 2.902 50 0 DFAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)C[C@H]21 ZINC000102006187 426487586 /nfs/dbraw/zinc/48/75/86/426487586.db2.gz XQLJNLYTKJNCOS-RTCCRHLQSA-N 2 1 300.233 2.628 50 0 DFAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3c(Cl)cncc3Cl)C[C@H]21 ZINC000102006187 426487587 /nfs/dbraw/zinc/48/75/87/426487587.db2.gz XQLJNLYTKJNCOS-RTCCRHLQSA-N 2 1 300.233 2.628 50 0 DFAAMP COc1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1C[NH+]1CCCC1 ZINC000215111079 426550699 /nfs/dbraw/zinc/55/06/99/426550699.db2.gz NXFGKGCXBNNOCJ-INIZCTEOSA-N 2 1 318.461 2.902 50 0 DFAAMP Cc1cccc(-n2cc(C[N@@H+](C)CCCc3[nH+]ccn3C)cn2)c1 ZINC000215171424 426550855 /nfs/dbraw/zinc/55/08/55/426550855.db2.gz OIJYUWZXKCEQJD-UHFFFAOYSA-N 2 1 323.444 2.979 50 0 DFAAMP Cc1cccc(-n2cc(C[N@H+](C)CCCc3[nH+]ccn3C)cn2)c1 ZINC000215171424 426550860 /nfs/dbraw/zinc/55/08/60/426550860.db2.gz OIJYUWZXKCEQJD-UHFFFAOYSA-N 2 1 323.444 2.979 50 0 DFAAMP Cc1cc[nH+]c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000225514226 426604747 /nfs/dbraw/zinc/60/47/47/426604747.db2.gz RCPBIJBIDHMXPO-GOSISDBHSA-N 2 1 311.429 2.959 50 0 DFAAMP Cc1cc[nH+]c(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000225514226 426604750 /nfs/dbraw/zinc/60/47/50/426604750.db2.gz RCPBIJBIDHMXPO-GOSISDBHSA-N 2 1 311.429 2.959 50 0 DFAAMP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000229706217 426638636 /nfs/dbraw/zinc/63/86/36/426638636.db2.gz HERVYXKBLZHRFF-CVEARBPZSA-N 2 1 321.465 2.511 50 0 DFAAMP Cn1nccc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275698251 426898532 /nfs/dbraw/zinc/89/85/32/426898532.db2.gz NGZUNUPDWHDWGT-INIZCTEOSA-N 2 1 316.474 2.626 50 0 DFAAMP Cn1nccc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275698251 426898536 /nfs/dbraw/zinc/89/85/36/426898536.db2.gz NGZUNUPDWHDWGT-INIZCTEOSA-N 2 1 316.474 2.626 50 0 DFAAMP COc1ccccc1OCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000252483988 427179659 /nfs/dbraw/zinc/17/96/59/427179659.db2.gz FLRKPQHFGQGNBM-MRXNPFEDSA-N 2 1 306.450 2.880 50 0 DFAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccccn2)C1 ZINC000095526849 276785553 /nfs/dbraw/zinc/78/55/53/276785553.db2.gz JFSSYYHJZDLLRN-INIZCTEOSA-N 2 1 313.449 2.614 50 0 DFAAMP C[C@H](c1cccc(C[N@@H+](C)CCN2CCCCC2=O)c1)[NH+](C)C ZINC000097819538 290246786 /nfs/dbraw/zinc/24/67/86/290246786.db2.gz LQHRVBKLZODCNV-MRXNPFEDSA-N 2 1 317.477 2.754 50 0 DFAAMP C[N@H+]1CCC[C@@H]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000000757256 398346399 /nfs/dbraw/zinc/34/63/99/398346399.db2.gz MWRGHCWYMGERLO-HXUWFJFHSA-N 3 1 315.505 2.767 50 0 DFAAMP CCOCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000095462185 185370914 /nfs/dbraw/zinc/37/09/14/185370914.db2.gz UHEJHKZYUPEJLR-UHFFFAOYSA-N 2 1 304.434 2.776 50 0 DFAAMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3nccn32)[C@@H]1c1cccnc1 ZINC000328654785 529794053 /nfs/dbraw/zinc/79/40/53/529794053.db2.gz XUXMSNBHMZAVEC-LPHOPBHVSA-N 2 1 321.428 2.512 50 0 DFAAMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3nccn32)[C@@H]1c1cccnc1 ZINC000328654785 529794054 /nfs/dbraw/zinc/79/40/54/529794054.db2.gz XUXMSNBHMZAVEC-LPHOPBHVSA-N 2 1 321.428 2.512 50 0 DFAAMP Cc1ccc2nc(C[N@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000328639487 398569237 /nfs/dbraw/zinc/56/92/37/398569237.db2.gz POOYZIPUTPBXQH-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1ccc2nc(C[N@@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000328639487 398569241 /nfs/dbraw/zinc/56/92/41/398569241.db2.gz POOYZIPUTPBXQH-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP O[C@H]1CCC[N@H+](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000072167691 191066334 /nfs/dbraw/zinc/06/63/34/191066334.db2.gz ZSEQAPFQHOIPCZ-KRWDZBQOSA-N 2 1 320.502 2.700 50 0 DFAAMP C=Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000225583724 186280074 /nfs/dbraw/zinc/28/00/74/186280074.db2.gz ZYXGOHOCXPAYHK-HSALFYBXSA-N 2 1 322.456 2.984 50 0 DFAAMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237474702 186295039 /nfs/dbraw/zinc/29/50/39/186295039.db2.gz BAUNCDIGCVRQCQ-MRXNPFEDSA-N 2 1 312.461 2.942 50 0 DFAAMP O[C@@]1(C[NH2+]Cc2csc3ccc(Cl)cc23)CCC[NH2+]C1 ZINC000072424610 191160424 /nfs/dbraw/zinc/16/04/24/191160424.db2.gz ULBFBWTWQICVRD-HNNXBMFYSA-N 2 1 310.850 2.759 50 0 DFAAMP Cc1cccc(N2CCC([NH2+][C@H]3CN(C(C)C)C[C@H]3C)CC2)[nH+]1 ZINC000110687751 398723736 /nfs/dbraw/zinc/72/37/36/398723736.db2.gz IIWXNRHDSOHGAU-QAPCUYQASA-N 3 1 316.493 2.677 50 0 DFAAMP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000237360397 202243243 /nfs/dbraw/zinc/24/32/43/202243243.db2.gz UKDNAAKMRGBCDH-HNNXBMFYSA-N 2 1 312.417 2.728 50 0 DFAAMP Cc1ccc(C[NH+]2CCC3(C[N@H+](C4CCC4)C[C@H]3CO)CC2)o1 ZINC000169783890 399001313 /nfs/dbraw/zinc/00/13/13/399001313.db2.gz CFXFHFXVGZPSEV-INIZCTEOSA-N 2 1 318.461 2.647 50 0 DFAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCCO)CC2)C1 ZINC000091305753 193036730 /nfs/dbraw/zinc/03/67/30/193036730.db2.gz OZJWTPLRZXWCQF-IBGZPJMESA-N 2 1 316.489 2.960 50 0 DFAAMP CC(C)Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)s1 ZINC000091504753 193065786 /nfs/dbraw/zinc/06/57/86/193065786.db2.gz SWHLYYVAYQTYPP-HUUCEWRRSA-N 2 1 310.507 2.549 50 0 DFAAMP CC(C)Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)s1 ZINC000091504753 193065788 /nfs/dbraw/zinc/06/57/88/193065788.db2.gz SWHLYYVAYQTYPP-HUUCEWRRSA-N 2 1 310.507 2.549 50 0 DFAAMP C1CC2(CC[NH2+]1)CCC[N@H+](C1CSCCSC1)CC2 ZINC000426409561 257251601 /nfs/dbraw/zinc/25/16/01/257251601.db2.gz WMHJMMAHAWHMIH-UHFFFAOYSA-N 2 1 300.537 2.691 50 0 DFAAMP C[C@@H](Nc1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000097038041 287073521 /nfs/dbraw/zinc/07/35/21/287073521.db2.gz JQEPPMKMKNVWBP-MRXNPFEDSA-N 2 1 317.477 2.661 50 0 DFAAMP O[C@@]1(C[NH2+]Cc2cccc3[nH]ccc32)CCC[N@H+]2CCCC[C@@H]21 ZINC000067770905 425913091 /nfs/dbraw/zinc/91/30/91/425913091.db2.gz AGOGPYYWWAAROA-RTBURBONSA-N 2 1 313.445 2.637 50 0 DFAAMP O=C(C[NH2+]C1CCCCC1)Nc1c2c([nH+]c3c1CCC3)CCC2 ZINC000000198588 425542981 /nfs/dbraw/zinc/54/29/81/425542981.db2.gz CQSFFJWRORWWDE-UHFFFAOYSA-N 2 1 313.445 2.920 50 0 DFAAMP OC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000003683711 425616143 /nfs/dbraw/zinc/61/61/43/425616143.db2.gz UDGXWKZNEAFUKZ-UHFFFAOYSA-N 2 1 302.462 2.587 50 0 DFAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)CC(C)(C)CO)CC2)o1 ZINC000014953455 425775419 /nfs/dbraw/zinc/77/54/19/425775419.db2.gz PSPCHZDWWHKDOB-UHFFFAOYSA-N 2 1 308.466 2.750 50 0 DFAAMP Cc1nc2sccn2c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000037233674 425847453 /nfs/dbraw/zinc/84/74/53/425847453.db2.gz WMDLCHUPSGVOBZ-UHFFFAOYSA-N 2 1 306.479 2.916 50 0 DFAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000042911925 425854167 /nfs/dbraw/zinc/85/41/67/425854167.db2.gz CIYISJUGFWNISP-UHFFFAOYSA-N 2 1 302.422 2.941 50 0 DFAAMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419328 /nfs/dbraw/zinc/41/93/28/426419328.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 2 1 313.445 2.833 50 0 DFAAMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419330 /nfs/dbraw/zinc/41/93/30/426419330.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 2 1 313.445 2.833 50 0 DFAAMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419332 /nfs/dbraw/zinc/41/93/32/426419332.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 2 1 313.445 2.833 50 0 DFAAMP C[C@H](CCc1cccc(F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000096477637 426433522 /nfs/dbraw/zinc/43/35/22/426433522.db2.gz AHGCTYJDCSOIDZ-OAHLLOKOSA-N 2 1 308.441 2.847 50 0 DFAAMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194126 426645695 /nfs/dbraw/zinc/64/56/95/426645695.db2.gz OOVPAUSPEWBZET-BLLLJJGKSA-N 2 1 308.422 2.537 50 0 DFAAMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000190458898 427115459 /nfs/dbraw/zinc/11/54/59/427115459.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 1 318.490 2.744 50 0 DFAAMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2cccn2C)C1 ZINC000190458898 427115465 /nfs/dbraw/zinc/11/54/65/427115465.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 1 318.490 2.744 50 0 DFAAMP C[N@@H+]1CC[C@@H](CNCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486438 427178115 /nfs/dbraw/zinc/17/81/15/427178115.db2.gz KBCDEQNUCVVROQ-BLLLJJGKSA-N 2 1 322.815 2.985 50 0 DFAAMP C[N@H+]1CC[C@@H](CNCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486438 427178122 /nfs/dbraw/zinc/17/81/22/427178122.db2.gz KBCDEQNUCVVROQ-BLLLJJGKSA-N 2 1 322.815 2.985 50 0 DFAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1nn(C)c2ccc(C)cc12 ZINC000534590053 334293716 /nfs/dbraw/zinc/29/37/16/334293716.db2.gz STXYNTOCSUFKKY-CQSZACIVSA-N 2 1 311.433 2.955 50 0 DFAAMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052510 282079742 /nfs/dbraw/zinc/07/97/42/282079742.db2.gz QJXIXKLUFJQZKM-QFBILLFUSA-N 2 1 312.461 2.809 50 0 DFAAMP CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCC12CCC[NH+]1CCC2 ZINC000095522778 185377383 /nfs/dbraw/zinc/37/73/83/185377383.db2.gz TUAKELHQBBRMHJ-HNNXBMFYSA-N 2 1 318.465 2.702 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095522743 185377590 /nfs/dbraw/zinc/37/75/90/185377590.db2.gz VJLYATXQTXJVID-INIZCTEOSA-N 2 1 313.445 2.926 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095522743 185377591 /nfs/dbraw/zinc/37/75/91/185377591.db2.gz VJLYATXQTXJVID-INIZCTEOSA-N 2 1 313.445 2.926 50 0 DFAAMP CCn1cc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000328586753 231233115 /nfs/dbraw/zinc/23/31/15/231233115.db2.gz ACUIEKUCGBPOLJ-BGYRXZFFSA-N 2 1 324.472 2.509 50 0 DFAAMP CCn1cc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000328586753 231233119 /nfs/dbraw/zinc/23/31/19/231233119.db2.gz ACUIEKUCGBPOLJ-BGYRXZFFSA-N 2 1 324.472 2.509 50 0 DFAAMP CCn1cc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000328586753 231233122 /nfs/dbraw/zinc/23/31/22/231233122.db2.gz ACUIEKUCGBPOLJ-BGYRXZFFSA-N 2 1 324.472 2.509 50 0 DFAAMP CCn1cc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000328586753 231233125 /nfs/dbraw/zinc/23/31/25/231233125.db2.gz ACUIEKUCGBPOLJ-BGYRXZFFSA-N 2 1 324.472 2.509 50 0 DFAAMP Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000328631398 231267110 /nfs/dbraw/zinc/26/71/10/231267110.db2.gz KMUZLGKKGFYEBW-CYBMUJFWSA-N 2 1 310.376 2.923 50 0 DFAAMP c1[nH]nc2c1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000090455374 185297418 /nfs/dbraw/zinc/29/74/18/185297418.db2.gz URCVKDKNHZPSPQ-LJQANCHMSA-N 2 1 324.472 2.564 50 0 DFAAMP C[N@H+]1CCC2(C1)CC[NH+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000584886885 398426174 /nfs/dbraw/zinc/42/61/74/398426174.db2.gz RKYDVPGQWIMYHI-SFHVURJKSA-N 2 1 317.452 2.822 50 0 DFAAMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000090050203 398476266 /nfs/dbraw/zinc/47/62/66/398476266.db2.gz KZYVQLMELLATGB-CVEARBPZSA-N 2 1 314.477 2.826 50 0 DFAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237477779 186295805 /nfs/dbraw/zinc/29/58/05/186295805.db2.gz XXGJGQSCFUQXPG-MRXNPFEDSA-N 2 1 312.461 2.942 50 0 DFAAMP CC[NH+]1CCC(N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000020010484 182176715 /nfs/dbraw/zinc/17/67/15/182176715.db2.gz FSIRVZKFRCLPGT-RMKNXTFCSA-N 2 1 313.489 2.802 50 0 DFAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040719614 183123454 /nfs/dbraw/zinc/12/34/54/183123454.db2.gz LQMOINGIAREHCO-UHFFFAOYSA-N 2 1 300.830 2.835 50 0 DFAAMP CC(C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426727292 257243718 /nfs/dbraw/zinc/24/37/18/257243718.db2.gz ASKBBAKAPSPDFH-LJQANCHMSA-N 2 1 321.509 2.619 50 0 DFAAMP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000052867249 425886125 /nfs/dbraw/zinc/88/61/25/425886125.db2.gz HERVYXKBLZHRFF-HOTGVXAUSA-N 2 1 321.465 2.511 50 0 DFAAMP COc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000670444642 544041393 /nfs/dbraw/zinc/04/13/93/544041393.db2.gz QGJWLURVMPRGPZ-INIZCTEOSA-N 2 1 300.406 2.507 50 0 DFAAMP COc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000670444642 544041398 /nfs/dbraw/zinc/04/13/98/544041398.db2.gz QGJWLURVMPRGPZ-INIZCTEOSA-N 2 1 300.406 2.507 50 0 DFAAMP Cc1cccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](C)C3)CC2)c1C ZINC000065433771 425902726 /nfs/dbraw/zinc/90/27/26/425902726.db2.gz LZOUWHLTCFHKIR-KRWDZBQOSA-N 2 1 301.478 2.814 50 0 DFAAMP CC(C)c1[nH+]ccn1[C@@H](C)c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067641476 425912132 /nfs/dbraw/zinc/91/21/32/425912132.db2.gz BIIVDXUNUVPPJV-ZDUSSCGKSA-N 2 1 317.437 2.883 50 0 DFAAMP c1cnn(Cc2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC000067713710 425912625 /nfs/dbraw/zinc/91/26/25/425912625.db2.gz HCJCGBONZITFLG-LJQANCHMSA-N 2 1 310.445 2.507 50 0 DFAAMP C(Cc1n[nH]c2c1CCCC2)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067869074 425914403 /nfs/dbraw/zinc/91/44/03/425914403.db2.gz PSJVDDIMFOKOKC-UHFFFAOYSA-N 2 1 316.493 2.733 50 0 DFAAMP CC(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000067921706 425914881 /nfs/dbraw/zinc/91/48/81/425914881.db2.gz WXNSCYWRYGAADR-MRXNPFEDSA-N 2 1 320.481 2.758 50 0 DFAAMP CC(C)C[N@H+]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000067921706 425914882 /nfs/dbraw/zinc/91/48/82/425914882.db2.gz WXNSCYWRYGAADR-MRXNPFEDSA-N 2 1 320.481 2.758 50 0 DFAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC000071877586 425998005 /nfs/dbraw/zinc/99/80/05/425998005.db2.gz CWJQCQXYAQKYKQ-NADMHLTPSA-N 2 1 302.462 2.724 50 0 DFAAMP c1cc2nccc(N3CCC[N@H+](C4CCOCC4)CC3)c2s1 ZINC000078294907 426163886 /nfs/dbraw/zinc/16/38/86/426163886.db2.gz RNCLRLHCPAQRAG-UHFFFAOYSA-N 2 1 317.458 2.987 50 0 DFAAMP CC(=O)NC1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000132929034 426170807 /nfs/dbraw/zinc/17/08/07/426170807.db2.gz UTSRHKHBDYUXQN-ABHNRTSZSA-N 2 1 321.509 2.820 50 0 DFAAMP CC(=O)NC1CCC([NH2+][C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000132929034 426170808 /nfs/dbraw/zinc/17/08/08/426170808.db2.gz UTSRHKHBDYUXQN-ABHNRTSZSA-N 2 1 321.509 2.820 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000089382466 426288078 /nfs/dbraw/zinc/28/80/78/426288078.db2.gz NHSWTTFEGRSKGE-FQEVSTJZSA-N 2 1 315.505 2.625 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000095952907 426375687 /nfs/dbraw/zinc/37/56/87/426375687.db2.gz OYWBNEVZRPDTGU-AZUAARDMSA-N 2 1 315.505 2.720 50 0 DFAAMP COCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2SC)CC1 ZINC000096479328 426432986 /nfs/dbraw/zinc/43/29/86/426432986.db2.gz MTMFMXBOJYWOIO-UHFFFAOYSA-N 2 1 308.491 2.917 50 0 DFAAMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000097115684 426451985 /nfs/dbraw/zinc/45/19/85/426451985.db2.gz XTULXTHZQYFKLY-INIZCTEOSA-N 2 1 305.809 2.624 50 0 DFAAMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160170 426455499 /nfs/dbraw/zinc/45/54/99/426455499.db2.gz RFMDXJAJCBSRIP-CQSZACIVSA-N 2 1 302.422 2.800 50 0 DFAAMP Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200844 426457070 /nfs/dbraw/zinc/45/70/70/426457070.db2.gz BUKLTPQHNBCAAP-OAHLLOKOSA-N 2 1 300.406 2.929 50 0 DFAAMP O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000238084431 426708799 /nfs/dbraw/zinc/70/87/99/426708799.db2.gz HTMAQKVLQJFIKI-RBUKOAKNSA-N 2 1 302.462 2.587 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000241837549 426718830 /nfs/dbraw/zinc/71/88/30/426718830.db2.gz SKZBBXZWQMHMQU-ZIFCJYIRSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000241837549 426718832 /nfs/dbraw/zinc/71/88/32/426718832.db2.gz SKZBBXZWQMHMQU-ZIFCJYIRSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000241837549 426718834 /nfs/dbraw/zinc/71/88/34/426718834.db2.gz SKZBBXZWQMHMQU-ZIFCJYIRSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000241837549 426718839 /nfs/dbraw/zinc/71/88/39/426718839.db2.gz SKZBBXZWQMHMQU-ZIFCJYIRSA-N 2 1 313.445 2.561 50 0 DFAAMP Cn1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000275812245 426926131 /nfs/dbraw/zinc/92/61/31/426926131.db2.gz UFRKBOBDHBGQLF-LJQANCHMSA-N 2 1 312.461 2.907 50 0 DFAAMP Cn1ccc(C[N@H+]2CCC[C@@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000275812245 426926137 /nfs/dbraw/zinc/92/61/37/426926137.db2.gz UFRKBOBDHBGQLF-LJQANCHMSA-N 2 1 312.461 2.907 50 0 DFAAMP Cn1ccc(C[NH+]2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000275812245 426926144 /nfs/dbraw/zinc/92/61/44/426926144.db2.gz UFRKBOBDHBGQLF-LJQANCHMSA-N 2 1 312.461 2.907 50 0 DFAAMP Cn1ccc(C[NH+]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000275812245 426926152 /nfs/dbraw/zinc/92/61/52/426926152.db2.gz UFRKBOBDHBGQLF-LJQANCHMSA-N 2 1 312.461 2.907 50 0 DFAAMP Cc1[nH+]c(N(C)C)nc(N2CCC([NH+]3CCCCC3)CC2)c1C ZINC000065418931 274840232 /nfs/dbraw/zinc/84/02/32/274840232.db2.gz JYCJOLVUMZSYOG-UHFFFAOYSA-N 2 1 317.481 2.614 50 0 DFAAMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCO1 ZINC000121722843 278335961 /nfs/dbraw/zinc/33/59/61/278335961.db2.gz LAUSQEGNZKVTTA-VQIMIIECSA-N 2 1 302.462 2.851 50 0 DFAAMP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000245343899 398381916 /nfs/dbraw/zinc/38/19/16/398381916.db2.gz WJIJBPIVNYPBCD-ROUUACIJSA-N 2 1 310.445 2.897 50 0 DFAAMP c1[nH]nc2c1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000090455375 185297316 /nfs/dbraw/zinc/29/73/16/185297316.db2.gz URCVKDKNHZPSPQ-IBGZPJMESA-N 2 1 324.472 2.564 50 0 DFAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc2cc(Cl)ccc2[nH]1 ZINC000584886875 398426140 /nfs/dbraw/zinc/42/61/40/398426140.db2.gz CMOLTXQENVKZRM-NSHDSACASA-N 2 1 317.824 2.942 50 0 DFAAMP CCn1ccc2ccc(C[N@@H+]3CCC[C@](O)(C[NH+](C)C)C3)cc21 ZINC000072428176 191160915 /nfs/dbraw/zinc/16/09/15/191160915.db2.gz VNICUNHAXDHKMB-IBGZPJMESA-N 2 1 315.461 2.550 50 0 DFAAMP CCn1ccc2ccc(C[N@H+]3CCC[C@](O)(C[NH+](C)C)C3)cc21 ZINC000072428176 191160916 /nfs/dbraw/zinc/16/09/16/191160916.db2.gz VNICUNHAXDHKMB-IBGZPJMESA-N 2 1 315.461 2.550 50 0 DFAAMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnn4ccccc34)C2)[nH+]1 ZINC000179857487 199088890 /nfs/dbraw/zinc/08/88/90/199088890.db2.gz AGZXNGUERGOCMJ-INIZCTEOSA-N 2 1 321.428 2.972 50 0 DFAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)[nH+]1 ZINC000179857487 199088892 /nfs/dbraw/zinc/08/88/92/199088892.db2.gz AGZXNGUERGOCMJ-INIZCTEOSA-N 2 1 321.428 2.972 50 0 DFAAMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc4nccn43)C2)[nH+]1 ZINC000179989142 199103346 /nfs/dbraw/zinc/10/33/46/199103346.db2.gz BWMNFNLETLJUOD-MRXNPFEDSA-N 2 1 321.428 2.972 50 0 DFAAMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc4nccn43)C2)[nH+]1 ZINC000179989142 199103348 /nfs/dbraw/zinc/10/33/48/199103348.db2.gz BWMNFNLETLJUOD-MRXNPFEDSA-N 2 1 321.428 2.972 50 0 DFAAMP CC1(C)Cc2cc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000275440537 212331919 /nfs/dbraw/zinc/33/19/19/212331919.db2.gz FUMAIRKZGCWIEM-OAHLLOKOSA-N 2 1 311.429 2.949 50 0 DFAAMP Cc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@H](CO)C2)s1 ZINC000091350500 193045103 /nfs/dbraw/zinc/04/51/03/193045103.db2.gz QUCAIOQGYMVFQI-CVEARBPZSA-N 2 1 308.491 2.583 50 0 DFAAMP Cc1ccc(C[N@@H+]2C[C@@H](C[NH+]3CCCC3)C[C@H](CO)C2)s1 ZINC000091350500 193045105 /nfs/dbraw/zinc/04/51/05/193045105.db2.gz QUCAIOQGYMVFQI-CVEARBPZSA-N 2 1 308.491 2.583 50 0 DFAAMP Cc1cc(C)n(C[C@@H](C)C[NH2+][C@@H](C)Cn2c[nH+]c(C)c2C)n1 ZINC000093398708 193244890 /nfs/dbraw/zinc/24/48/90/193244890.db2.gz BNVGKPKGDSKECI-JSGCOSHPSA-N 2 1 303.454 2.628 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000262676379 203378541 /nfs/dbraw/zinc/37/85/41/203378541.db2.gz SAQLQJUSLYCNRT-MVJTYMMSSA-N 2 1 317.477 2.511 50 0 DFAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000058231835 184092244 /nfs/dbraw/zinc/09/22/44/184092244.db2.gz USGRYGAYDGZSOJ-KRWDZBQOSA-N 2 1 318.465 2.566 50 0 DFAAMP C[N@H+]1CCCN(c2ncccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000215853787 542874228 /nfs/dbraw/zinc/87/42/28/542874228.db2.gz AXYDLHUSDKDTQX-QGZVFWFLSA-N 2 1 314.477 2.669 50 0 DFAAMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052506 146327424 /nfs/dbraw/zinc/32/74/24/146327424.db2.gz QJXIXKLUFJQZKM-APWZRJJASA-N 2 1 312.461 2.809 50 0 DFAAMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1C[NH+](C)C ZINC000670447555 544042173 /nfs/dbraw/zinc/04/21/73/544042173.db2.gz QDDHPFLPOYRGMG-INIZCTEOSA-N 2 1 306.450 2.615 50 0 DFAAMP CCCSc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067678922 425912251 /nfs/dbraw/zinc/91/22/51/425912251.db2.gz WBEWGFJEPLAQIT-UHFFFAOYSA-N 2 1 306.479 2.554 50 0 DFAAMP Cc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664249 425710818 /nfs/dbraw/zinc/71/08/18/425710818.db2.gz NYPJELBGZLRNJU-SFHVURJKSA-N 2 1 318.509 2.918 50 0 DFAAMP COc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C(C)C)C3)C2)cc1OC ZINC000013892564 425762176 /nfs/dbraw/zinc/76/21/76/425762176.db2.gz YXDYWEVZNLIORD-CALCHBBNSA-N 2 1 318.461 2.866 50 0 DFAAMP COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C(C)C)C3)C2)cc1OC ZINC000013892564 425762180 /nfs/dbraw/zinc/76/21/80/425762180.db2.gz YXDYWEVZNLIORD-CALCHBBNSA-N 2 1 318.461 2.866 50 0 DFAAMP COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](C(C)C)C3)cc1OC ZINC000013892564 425762182 /nfs/dbraw/zinc/76/21/82/425762182.db2.gz YXDYWEVZNLIORD-CALCHBBNSA-N 2 1 318.461 2.866 50 0 DFAAMP COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](C(C)C)C3)cc1OC ZINC000013892564 425762186 /nfs/dbraw/zinc/76/21/86/425762186.db2.gz YXDYWEVZNLIORD-CALCHBBNSA-N 2 1 318.461 2.866 50 0 DFAAMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000095984953 426382888 /nfs/dbraw/zinc/38/28/88/426382888.db2.gz SCCJHTIMXXKWPL-KXBFYZLASA-N 2 1 302.462 2.746 50 0 DFAAMP CC[N@@H+](Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000215191644 426549358 /nfs/dbraw/zinc/54/93/58/426549358.db2.gz IIXIUOPXUUAVKW-RTBURBONSA-N 2 1 320.477 2.752 50 0 DFAAMP Cc1ncccc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190473102 427118785 /nfs/dbraw/zinc/11/87/85/427118785.db2.gz VRGXSAIGDXMSSR-SFHVURJKSA-N 2 1 310.445 2.739 50 0 DFAAMP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000253404898 427202090 /nfs/dbraw/zinc/20/20/90/427202090.db2.gz FVGNCZBRCWPFBA-JKSUJKDBSA-N 2 1 321.465 2.653 50 0 DFAAMP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000253404898 427202098 /nfs/dbraw/zinc/20/20/98/427202098.db2.gz FVGNCZBRCWPFBA-JKSUJKDBSA-N 2 1 321.465 2.653 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000191065990 323234172 /nfs/dbraw/zinc/23/41/72/323234172.db2.gz AYVLCJGFSDWJCR-QRVBRYPASA-N 2 1 305.510 2.691 50 0 DFAAMP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000328631399 231265540 /nfs/dbraw/zinc/26/55/40/231265540.db2.gz KMUZLGKKGFYEBW-ZDUSSCGKSA-N 2 1 310.376 2.923 50 0 DFAAMP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000095425762 185361622 /nfs/dbraw/zinc/36/16/22/185361622.db2.gz YOHTVFJNNKLZDS-GFCCVEGCSA-N 2 1 300.805 2.537 50 0 DFAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000095425762 185361623 /nfs/dbraw/zinc/36/16/23/185361623.db2.gz YOHTVFJNNKLZDS-GFCCVEGCSA-N 2 1 300.805 2.537 50 0 DFAAMP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000095435685 185364530 /nfs/dbraw/zinc/36/45/30/185364530.db2.gz IOCMCKQOPFXLGC-GFCCVEGCSA-N 2 1 300.805 2.537 50 0 DFAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1 ZINC000095435685 185364531 /nfs/dbraw/zinc/36/45/31/185364531.db2.gz IOCMCKQOPFXLGC-GFCCVEGCSA-N 2 1 300.805 2.537 50 0 DFAAMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1 ZINC000328639923 529793904 /nfs/dbraw/zinc/79/39/04/529793904.db2.gz PVDCJPGFDNVUIO-HKUYNNGSSA-N 2 1 321.428 2.741 50 0 DFAAMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1 ZINC000328639923 529793906 /nfs/dbraw/zinc/79/39/06/529793906.db2.gz PVDCJPGFDNVUIO-HKUYNNGSSA-N 2 1 321.428 2.741 50 0 DFAAMP COC(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000249329648 398412667 /nfs/dbraw/zinc/41/26/67/398412667.db2.gz HLGHUWLTMCHVPI-ROUUACIJSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000249329648 398412670 /nfs/dbraw/zinc/41/26/70/398412670.db2.gz HLGHUWLTMCHVPI-ROUUACIJSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)OC ZINC000249329648 398412673 /nfs/dbraw/zinc/41/26/73/398412673.db2.gz HLGHUWLTMCHVPI-ROUUACIJSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC000249329648 398412674 /nfs/dbraw/zinc/41/26/74/398412674.db2.gz HLGHUWLTMCHVPI-ROUUACIJSA-N 2 1 318.461 2.592 50 0 DFAAMP CC[C@@H]1CN(Cc2[nH+]c(C)n3ccccc23)CC[N@H+]1C(C)C ZINC000072164032 191064211 /nfs/dbraw/zinc/06/42/11/191064211.db2.gz MOKMKLQVPFIGCW-MRXNPFEDSA-N 2 1 300.450 2.947 50 0 DFAAMP C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C1CC[NH+](C)CC1 ZINC000072424797 191160064 /nfs/dbraw/zinc/16/00/64/191160064.db2.gz KTIBQAJDRZLLMS-UHFFFAOYSA-N 2 1 304.478 2.916 50 0 DFAAMP C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C1CC[NH+](C)CC1 ZINC000072424797 191160067 /nfs/dbraw/zinc/16/00/67/191160067.db2.gz KTIBQAJDRZLLMS-UHFFFAOYSA-N 2 1 304.478 2.916 50 0 DFAAMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275535982 212399182 /nfs/dbraw/zinc/39/91/82/212399182.db2.gz MFVQNOPFLORESD-NEWSRXKRSA-N 2 1 324.472 2.556 50 0 DFAAMP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091468227 193060816 /nfs/dbraw/zinc/06/08/16/193060816.db2.gz VSNBBHKUVRGNQX-WOJBJXKFSA-N 2 1 312.457 2.832 50 0 DFAAMP CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091468227 193060818 /nfs/dbraw/zinc/06/08/18/193060818.db2.gz VSNBBHKUVRGNQX-WOJBJXKFSA-N 2 1 312.457 2.832 50 0 DFAAMP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091468227 193060819 /nfs/dbraw/zinc/06/08/19/193060819.db2.gz VSNBBHKUVRGNQX-WOJBJXKFSA-N 2 1 312.457 2.832 50 0 DFAAMP Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H](C)Cn2c[nH+]c(C)c2C)n1 ZINC000093398709 193244567 /nfs/dbraw/zinc/24/45/67/193244567.db2.gz BNVGKPKGDSKECI-OCCSQVGLSA-N 2 1 303.454 2.628 50 0 DFAAMP CCCOc1c(Cl)cc(C[NH2+]CCC[NH2+]C)cc1OC ZINC000020968070 182257031 /nfs/dbraw/zinc/25/70/31/182257031.db2.gz UKHJDHXNWSJJRS-UHFFFAOYSA-N 2 1 300.830 2.837 50 0 DFAAMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000159317380 197344969 /nfs/dbraw/zinc/34/49/69/197344969.db2.gz NNEFYOJEIHVNIP-AWEZNQCLSA-N 2 1 311.433 2.808 50 0 DFAAMP CNc1cc[nH+]c(NCC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000065410625 184340128 /nfs/dbraw/zinc/34/01/28/184340128.db2.gz DIJBORYSRWQTTH-UHFFFAOYSA-N 2 1 311.433 2.594 50 0 DFAAMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031589 158115791 /nfs/dbraw/zinc/11/57/91/158115791.db2.gz YKYQELFZTIEMET-ZYSHUDEJSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031589 158115793 /nfs/dbraw/zinc/11/57/93/158115793.db2.gz YKYQELFZTIEMET-ZYSHUDEJSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031589 158115796 /nfs/dbraw/zinc/11/57/96/158115796.db2.gz YKYQELFZTIEMET-ZYSHUDEJSA-N 2 1 318.436 2.808 50 0 DFAAMP Cc1nc(C[NH+]2CCC(CC[NH+]3CCCC3)CC2)n(C)c1C ZINC000670461167 544044534 /nfs/dbraw/zinc/04/45/34/544044534.db2.gz FNQXWGYRJBGBBN-UHFFFAOYSA-N 2 1 304.482 2.735 50 0 DFAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000670462577 544044553 /nfs/dbraw/zinc/04/45/53/544044553.db2.gz ZPHDSUXUDZOXKX-AWEZNQCLSA-N 2 1 311.520 2.752 50 0 DFAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000670462577 544044555 /nfs/dbraw/zinc/04/45/55/544044555.db2.gz ZPHDSUXUDZOXKX-AWEZNQCLSA-N 2 1 311.520 2.752 50 0 DFAAMP C([NH2+]C1CSCCSC1)[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000065372266 425902740 /nfs/dbraw/zinc/90/27/40/425902740.db2.gz WGOWASJIECNLSL-DZGCQCFKSA-N 2 1 300.537 2.689 50 0 DFAAMP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000108370468 426015775 /nfs/dbraw/zinc/01/57/75/426015775.db2.gz YRWGLXCCXODRIQ-IEBWSBKVSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000108370468 426015779 /nfs/dbraw/zinc/01/57/79/426015779.db2.gz YRWGLXCCXODRIQ-IEBWSBKVSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000108370468 426015782 /nfs/dbraw/zinc/01/57/82/426015782.db2.gz YRWGLXCCXODRIQ-IEBWSBKVSA-N 2 1 318.461 2.628 50 0 DFAAMP C[NH+](C)C[C@]1(O)CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000072473109 426015919 /nfs/dbraw/zinc/01/59/19/426015919.db2.gz WNVIDKYARGQQMA-QGZVFWFLSA-N 2 1 319.836 2.781 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(SC)cc3)C2)CC1 ZINC000171530018 426192895 /nfs/dbraw/zinc/19/28/95/426192895.db2.gz GCCLHZGPQVRAAP-QGZVFWFLSA-N 2 1 319.518 2.620 50 0 DFAAMP C[N@@H+](C[C@@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1 ZINC000121196188 426323441 /nfs/dbraw/zinc/32/34/41/426323441.db2.gz CUZKTHKAJPVSBU-QGZVFWFLSA-N 2 1 302.466 2.636 50 0 DFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000095967073 426379654 /nfs/dbraw/zinc/37/96/54/426379654.db2.gz WVHQVHABHLBNEB-GDBMZVCRSA-N 2 1 306.450 2.566 50 0 DFAAMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419589 426419572 /nfs/dbraw/zinc/41/95/72/426419572.db2.gz ROIRRISWIXKVFP-WMLDXEAASA-N 2 1 313.445 2.833 50 0 DFAAMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419589 426419573 /nfs/dbraw/zinc/41/95/73/426419573.db2.gz ROIRRISWIXKVFP-WMLDXEAASA-N 2 1 313.445 2.833 50 0 DFAAMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419589 426419578 /nfs/dbraw/zinc/41/95/78/426419578.db2.gz ROIRRISWIXKVFP-WMLDXEAASA-N 2 1 313.445 2.833 50 0 DFAAMP [NH3+]CC[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000216170223 426558855 /nfs/dbraw/zinc/55/88/55/426558855.db2.gz XQXJTICYXFHXLW-LJQANCHMSA-N 2 1 310.441 2.868 50 0 DFAAMP C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000240551526 426715647 /nfs/dbraw/zinc/71/56/47/426715647.db2.gz GUKIXORTYCIUMN-HKUYNNGSSA-N 2 1 301.478 2.582 50 0 DFAAMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccn2)CC1 ZINC000244719156 426726903 /nfs/dbraw/zinc/72/69/03/426726903.db2.gz LXZHUIYGEAFTGD-QGZVFWFLSA-N 2 1 303.450 2.547 50 0 DFAAMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245339160 426732616 /nfs/dbraw/zinc/73/26/16/426732616.db2.gz QYQJTWSPPULTRS-WMLDXEAASA-N 2 1 323.506 2.589 50 0 DFAAMP [NH3+]CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299766850 427767714 /nfs/dbraw/zinc/76/77/14/427767714.db2.gz SOXNJKCXKLPFSL-XHSDSOJGSA-N 2 1 312.417 2.654 50 0 DFAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095391666 185351784 /nfs/dbraw/zinc/35/17/84/185351784.db2.gz CORKSQAHJALGIA-MRXNPFEDSA-N 3 1 313.449 2.614 50 0 DFAAMP Cc1cccn2c(C[N@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)cnc12 ZINC000328646124 398568325 /nfs/dbraw/zinc/56/83/25/398568325.db2.gz SKAUJKCRFRDWGR-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1cccn2c(C[N@@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)cnc12 ZINC000328646124 398568329 /nfs/dbraw/zinc/56/83/29/398568329.db2.gz SKAUJKCRFRDWGR-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP C[N@H+](CCOc1ccccc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646594 398568830 /nfs/dbraw/zinc/56/88/30/398568830.db2.gz SSQNFVYXFJBJLE-CQSZACIVSA-N 2 1 303.381 2.595 50 0 DFAAMP C[N@@H+](CCOc1ccccc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646594 398568832 /nfs/dbraw/zinc/56/88/32/398568832.db2.gz SSQNFVYXFJBJLE-CQSZACIVSA-N 2 1 303.381 2.595 50 0 DFAAMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004325891 181097885 /nfs/dbraw/zinc/09/78/85/181097885.db2.gz ASIXXJPWMHNLIN-IJEWVQPXSA-N 2 1 306.450 2.565 50 0 DFAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCO)CC2)C1 ZINC000091585939 193075807 /nfs/dbraw/zinc/07/58/07/193075807.db2.gz ABESPZMGUGLDLE-GOSISDBHSA-N 2 1 302.462 2.570 50 0 DFAAMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000093133035 193204892 /nfs/dbraw/zinc/20/48/92/193204892.db2.gz KKYQDZSTCJLVRW-IBGZPJMESA-N 2 1 301.478 2.515 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537705 193266858 /nfs/dbraw/zinc/26/68/58/193266858.db2.gz SKZBBXZWQMHMQU-ZHALLVOQSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537705 193266860 /nfs/dbraw/zinc/26/68/60/193266860.db2.gz SKZBBXZWQMHMQU-ZHALLVOQSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537705 193266861 /nfs/dbraw/zinc/26/68/61/193266861.db2.gz SKZBBXZWQMHMQU-ZHALLVOQSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537705 193266863 /nfs/dbraw/zinc/26/68/63/193266863.db2.gz SKZBBXZWQMHMQU-ZHALLVOQSA-N 2 1 313.445 2.561 50 0 DFAAMP Fc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000051956749 425883867 /nfs/dbraw/zinc/88/38/67/425883867.db2.gz OPKOYAGUGQJOFO-UHFFFAOYSA-N 2 1 310.388 2.509 50 0 DFAAMP C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCCCC1)CC2 ZINC000065394420 184334379 /nfs/dbraw/zinc/33/43/79/184334379.db2.gz QPZCVIVSEYIXTG-UHFFFAOYSA-N 2 1 321.509 2.587 50 0 DFAAMP CC/C=C\CC[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@@H+](C)C[C@@H]12 ZINC000065395602 184335288 /nfs/dbraw/zinc/33/52/88/184335288.db2.gz KZHCESSOGJYCQQ-JUHUJRHYSA-N 2 1 314.473 2.770 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000408525477 257254451 /nfs/dbraw/zinc/25/44/51/257254451.db2.gz BVOLCGBVDLOIJH-NXHRZFHOSA-N 2 1 317.477 2.655 50 0 DFAAMP C[N@H+](Cc1cc(-c2ccncc2)no1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000243885903 257259377 /nfs/dbraw/zinc/25/93/77/257259377.db2.gz ADQWVSVCAOQXTR-OTVXOJSOSA-N 2 1 300.406 2.686 50 0 DFAAMP Cc1[nH+]cn(CC[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c1C ZINC000670460951 544044316 /nfs/dbraw/zinc/04/43/16/544044316.db2.gz UZSDJLGCJASJOE-MRXNPFEDSA-N 2 1 302.397 2.508 50 0 DFAAMP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000067384804 425909941 /nfs/dbraw/zinc/90/99/41/425909941.db2.gz OJTADSOESYWMFG-MRXNPFEDSA-N 2 1 311.433 2.691 50 0 DFAAMP C/C=C/CC(=O)NC[C@@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067696476 425912828 /nfs/dbraw/zinc/91/28/28/425912828.db2.gz JVATXDMYAIMOLD-LFAOLKIESA-N 2 1 321.509 2.700 50 0 DFAAMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1Br ZINC000010435611 425701364 /nfs/dbraw/zinc/70/13/64/425701364.db2.gz FCSGISGUPJYAJC-UHFFFAOYSA-N 2 1 315.255 2.889 50 0 DFAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC000077377527 426130688 /nfs/dbraw/zinc/13/06/88/426130688.db2.gz GCWPPYSAXWEMES-UHFFFAOYSA-N 2 1 323.400 2.639 50 0 DFAAMP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](CCCc2ccccc2)C1 ZINC000077392551 426132231 /nfs/dbraw/zinc/13/22/31/426132231.db2.gz UMVOMNBAIUVZSY-IBGZPJMESA-N 2 1 302.462 2.542 50 0 DFAAMP Cc1ccc[nH+]c1N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095375321 426369799 /nfs/dbraw/zinc/36/97/99/426369799.db2.gz CVUGDLZYMXWDGX-INIZCTEOSA-N 2 1 313.449 2.532 50 0 DFAAMP O[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1Cl ZINC000096473715 426432073 /nfs/dbraw/zinc/43/20/73/426432073.db2.gz WHZYZBLBNMPFJK-QGZVFWFLSA-N 2 1 317.820 2.591 50 0 DFAAMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000097115685 426452126 /nfs/dbraw/zinc/45/21/26/426452126.db2.gz XTULXTHZQYFKLY-MRXNPFEDSA-N 2 1 305.809 2.624 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc2cc(F)ccc2[nH]1 ZINC000240971689 426715297 /nfs/dbraw/zinc/71/52/97/426715297.db2.gz UBEFTJFCZVBANE-UHFFFAOYSA-N 2 1 315.396 2.772 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc2cc(F)ccc2[nH]1 ZINC000240971689 426715300 /nfs/dbraw/zinc/71/53/00/426715300.db2.gz UBEFTJFCZVBANE-UHFFFAOYSA-N 2 1 315.396 2.772 50 0 DFAAMP Cc1ccc(-c2ccnc(N3CCN4CCCC[C@H]4C3)n2)c(C)n1 ZINC000244884294 426728993 /nfs/dbraw/zinc/72/89/93/426728993.db2.gz YJGXEFVVYMPCKV-INIZCTEOSA-N 2 1 323.444 2.830 50 0 DFAAMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cnc21 ZINC000275613934 426880891 /nfs/dbraw/zinc/88/08/91/426880891.db2.gz RENFZPXMKSLHFA-AWEZNQCLSA-N 2 1 324.432 2.561 50 0 DFAAMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000275613919 426881416 /nfs/dbraw/zinc/88/14/16/426881416.db2.gz REFIKHXSUACGSU-RHSMWYFYSA-N 2 1 311.429 2.601 50 0 DFAAMP Cn1ccc(C[N@@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000275812243 426925740 /nfs/dbraw/zinc/92/57/40/426925740.db2.gz UFRKBOBDHBGQLF-IBGZPJMESA-N 2 1 312.461 2.907 50 0 DFAAMP Cn1ccc(C[N@H+]2CCC[C@H]([NH+](C)Cc3ccccn3)CC2)c1 ZINC000275812243 426925747 /nfs/dbraw/zinc/92/57/47/426925747.db2.gz UFRKBOBDHBGQLF-IBGZPJMESA-N 2 1 312.461 2.907 50 0 DFAAMP Cn1ccc(C[NH+]2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)c1 ZINC000275812243 426925752 /nfs/dbraw/zinc/92/57/52/426925752.db2.gz UFRKBOBDHBGQLF-IBGZPJMESA-N 2 1 312.461 2.907 50 0 DFAAMP Cn1ccc(C[NH+]2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000275812243 426925757 /nfs/dbraw/zinc/92/57/57/426925757.db2.gz UFRKBOBDHBGQLF-IBGZPJMESA-N 2 1 312.461 2.907 50 0 DFAAMP CC(C)OCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328606896 527937942 /nfs/dbraw/zinc/93/79/42/527937942.db2.gz TWNRRSRBQMACFQ-SFHVURJKSA-N 2 1 305.466 2.841 50 0 DFAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCCOc2ccccc2)CC1 ZINC000072133245 191045695 /nfs/dbraw/zinc/04/56/95/191045695.db2.gz LTSLTKDOQKGWGD-LJQANCHMSA-N 2 1 320.477 2.624 50 0 DFAAMP Cc1cccc(C[NH+]2CCN(CC[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000075092791 398785212 /nfs/dbraw/zinc/78/52/12/398785212.db2.gz ONHPUQOXKKLXAS-IBGZPJMESA-N 2 1 315.505 2.845 50 0 DFAAMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000169782458 399001244 /nfs/dbraw/zinc/00/12/44/399001244.db2.gz TYFPRRRYRYBDEM-OAHLLOKOSA-N 2 1 320.502 2.807 50 0 DFAAMP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000020264078 182200889 /nfs/dbraw/zinc/20/08/89/182200889.db2.gz ASIXXJPWMHNLIN-LZWOXQAQSA-N 2 1 306.450 2.565 50 0 DFAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000042960742 183323621 /nfs/dbraw/zinc/32/36/21/183323621.db2.gz HJOYESDDYDINIB-UHFFFAOYSA-N 2 1 300.406 2.695 50 0 DFAAMP CCc1[nH+]ccn1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067818731 184486942 /nfs/dbraw/zinc/48/69/42/184486942.db2.gz QKHOSAZDLYDRLO-UHFFFAOYSA-N 3 1 304.482 2.738 50 0 DFAAMP Cc1nc2c(n1[C@H]1CC[N@@H+](Cc3ccc(CO)o3)C1)CCCC2 ZINC000275751843 257256808 /nfs/dbraw/zinc/25/68/08/257256808.db2.gz WHOCJSHNEPUEKT-AWEZNQCLSA-N 2 1 315.417 2.603 50 0 DFAAMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc(CO)o3)C1)CCCC2 ZINC000275751843 257256809 /nfs/dbraw/zinc/25/68/09/257256809.db2.gz WHOCJSHNEPUEKT-AWEZNQCLSA-N 2 1 315.417 2.603 50 0 DFAAMP Cn1cc(CC[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)cn1 ZINC000216078004 542875027 /nfs/dbraw/zinc/87/50/27/542875027.db2.gz SECFJJFEVRTTGZ-UHFFFAOYSA-N 2 1 318.490 2.752 50 0 DFAAMP Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000670451676 544042823 /nfs/dbraw/zinc/04/28/23/544042823.db2.gz BSAORBUZRBSPHC-UHFFFAOYSA-N 2 1 312.461 2.754 50 0 DFAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ncon3)cc2)CC1 ZINC000670471893 544045865 /nfs/dbraw/zinc/04/58/65/544045865.db2.gz ZGAPJQGVTADDNJ-UHFFFAOYSA-N 2 1 300.406 2.701 50 0 DFAAMP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)c1 ZINC000063835446 425901265 /nfs/dbraw/zinc/90/12/65/425901265.db2.gz VQFPGAZBCKEZPG-RTBURBONSA-N 2 1 302.462 2.772 50 0 DFAAMP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012706830 425735715 /nfs/dbraw/zinc/73/57/15/425735715.db2.gz YIDLLDQUTVQDIC-MRXNPFEDSA-N 2 1 309.498 2.632 50 0 DFAAMP CC[N@@H+](CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011879639 425714779 /nfs/dbraw/zinc/71/47/79/425714779.db2.gz GVVLAJZDQRZSLH-UHFFFAOYSA-N 2 1 320.477 2.876 50 0 DFAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000012440026 425726848 /nfs/dbraw/zinc/72/68/48/425726848.db2.gz ZCDWHUOXIAYDOC-GOSISDBHSA-N 2 1 324.428 2.994 50 0 DFAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2CC2CC2)cc1 ZINC000012440026 425726854 /nfs/dbraw/zinc/72/68/54/425726854.db2.gz ZCDWHUOXIAYDOC-GOSISDBHSA-N 2 1 324.428 2.994 50 0 DFAAMP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030907285 425833679 /nfs/dbraw/zinc/83/36/79/425833679.db2.gz FVYIBSROUCZFGK-GFCCVEGCSA-N 2 1 302.447 2.712 50 0 DFAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000037644284 425848916 /nfs/dbraw/zinc/84/89/16/425848916.db2.gz NHGRFSVTZNPDCG-LBPRGKRZSA-N 2 1 310.825 2.543 50 0 DFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000037644284 425848917 /nfs/dbraw/zinc/84/89/17/425848917.db2.gz NHGRFSVTZNPDCG-LBPRGKRZSA-N 2 1 310.825 2.543 50 0 DFAAMP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc[nH+]1 ZINC000170614932 426140730 /nfs/dbraw/zinc/14/07/30/426140730.db2.gz CYZKRDVCZNCSKJ-IBGZPJMESA-N 2 1 311.429 2.959 50 0 DFAAMP c1cn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000131746008 426166457 /nfs/dbraw/zinc/16/64/57/426166457.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000131746008 426166459 /nfs/dbraw/zinc/16/64/59/426166459.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000131746008 426166462 /nfs/dbraw/zinc/16/64/62/426166462.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000131746008 426166465 /nfs/dbraw/zinc/16/64/65/426166465.db2.gz XKMMBROULDIIDK-UXHICEINSA-N 2 1 324.472 2.870 50 0 DFAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cc[nH+]cc2)CC1 ZINC000095385941 426371043 /nfs/dbraw/zinc/37/10/43/426371043.db2.gz ARADJSAJJXHAMX-UHFFFAOYSA-N 3 1 313.449 2.614 50 0 DFAAMP O[C@@H](CCc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000096013707 426388164 /nfs/dbraw/zinc/38/81/64/426388164.db2.gz INOLIDDTHYDPDM-IBGZPJMESA-N 2 1 302.462 2.540 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123182707 426418879 /nfs/dbraw/zinc/41/88/79/426418879.db2.gz LAUJSBMOOWSDJT-UHFFFAOYSA-N 2 1 321.431 2.725 50 0 DFAAMP Clc1ccc2ncc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)n2c1 ZINC000275611468 426881318 /nfs/dbraw/zinc/88/13/18/426881318.db2.gz QYFPRNSFBGLJPP-LBPRGKRZSA-N 2 1 315.808 2.536 50 0 DFAAMP C[N@@H+](Cc1ccnc(N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520142 427369472 /nfs/dbraw/zinc/36/94/72/427369472.db2.gz WLFSPDHUFLRYIV-SFHVURJKSA-N 2 1 310.445 2.618 50 0 DFAAMP C[N@H+](Cc1ccnc(N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520142 427369476 /nfs/dbraw/zinc/36/94/76/427369476.db2.gz WLFSPDHUFLRYIV-SFHVURJKSA-N 2 1 310.445 2.618 50 0 DFAAMP C[NH+](Cc1ccnc(N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191520142 427369479 /nfs/dbraw/zinc/36/94/79/427369479.db2.gz WLFSPDHUFLRYIV-SFHVURJKSA-N 2 1 310.445 2.618 50 0 DFAAMP C[NH+](Cc1ccnc(N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191520142 427369486 /nfs/dbraw/zinc/36/94/86/427369486.db2.gz WLFSPDHUFLRYIV-SFHVURJKSA-N 2 1 310.445 2.618 50 0 DFAAMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000129908635 323212048 /nfs/dbraw/zinc/21/20/48/323212048.db2.gz IPHWBHREAUEDSE-OLZOCXBDSA-N 2 1 308.388 2.808 50 0 DFAAMP Cc1cc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)nc(C)[nH+]1 ZINC000095423616 185361044 /nfs/dbraw/zinc/36/10/44/185361044.db2.gz DXCXVYPFBCZLJK-UHFFFAOYSA-N 2 1 300.450 2.840 50 0 DFAAMP CN([C@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457099 185370342 /nfs/dbraw/zinc/37/03/42/185370342.db2.gz MDYHGELKQSERGN-FQEVSTJZSA-N 2 1 313.489 2.820 50 0 DFAAMP Cc1ccc2ncc(C[N@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)n2c1 ZINC000328630939 398567876 /nfs/dbraw/zinc/56/78/76/398567876.db2.gz JXOXLOAABWFHTO-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)n2c1 ZINC000328630939 398567879 /nfs/dbraw/zinc/56/78/79/398567879.db2.gz JXOXLOAABWFHTO-HNNXBMFYSA-N 2 1 309.417 2.534 50 0 DFAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000072170444 191068078 /nfs/dbraw/zinc/06/80/78/191068078.db2.gz VJJZEAFTQJQKSN-LJQANCHMSA-N 2 1 312.461 2.848 50 0 DFAAMP CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183838616 186222664 /nfs/dbraw/zinc/22/26/64/186222664.db2.gz ALRSKYDTISICJR-ZDUSSCGKSA-N 2 1 314.433 2.604 50 0 DFAAMP C=Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000253394536 186304077 /nfs/dbraw/zinc/30/40/77/186304077.db2.gz ZYXGOHOCXPAYHK-VAMGGRTRSA-N 2 1 322.456 2.984 50 0 DFAAMP C=Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000253394550 186304110 /nfs/dbraw/zinc/30/41/10/186304110.db2.gz ZYXGOHOCXPAYHK-XUVXKRRUSA-N 2 1 322.456 2.984 50 0 DFAAMP COC[C@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CC12CC[NH2+]CC2 ZINC000169789807 399000718 /nfs/dbraw/zinc/00/07/18/399000718.db2.gz ACUOTYDIHGLAFI-MRXNPFEDSA-N 2 1 313.445 2.616 50 0 DFAAMP Cc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)c(-n2cccn2)c1 ZINC000065386303 184333356 /nfs/dbraw/zinc/33/33/56/184333356.db2.gz ZLWVAAIHKCTSNU-SJORKVTESA-N 2 1 310.445 2.815 50 0 DFAAMP CC[NH+]1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000037976779 542433380 /nfs/dbraw/zinc/43/33/80/542433380.db2.gz RCLCHINMVSJVMZ-UHFFFAOYSA-N 2 1 310.825 2.685 50 0 DFAAMP Cc1nc2c(n1[C@@H]1CC[N@@H+](Cc3ccc(CO)o3)C1)CCCC2 ZINC000275751848 257256619 /nfs/dbraw/zinc/25/66/19/257256619.db2.gz WHOCJSHNEPUEKT-CQSZACIVSA-N 2 1 315.417 2.603 50 0 DFAAMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc(CO)o3)C1)CCCC2 ZINC000275751848 257256621 /nfs/dbraw/zinc/25/66/21/257256621.db2.gz WHOCJSHNEPUEKT-CQSZACIVSA-N 2 1 315.417 2.603 50 0 DFAAMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031547 158115317 /nfs/dbraw/zinc/11/53/17/158115317.db2.gz YKYQELFZTIEMET-AYOQOUSVSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031547 158115322 /nfs/dbraw/zinc/11/53/22/158115322.db2.gz YKYQELFZTIEMET-AYOQOUSVSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031547 158115323 /nfs/dbraw/zinc/11/53/23/158115323.db2.gz YKYQELFZTIEMET-AYOQOUSVSA-N 2 1 318.436 2.808 50 0 DFAAMP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)o1 ZINC000067603934 425911806 /nfs/dbraw/zinc/91/18/06/425911806.db2.gz ZWNAQRVNRIVFCL-INIZCTEOSA-N 2 1 319.493 2.793 50 0 DFAAMP C/C=C/CC(=O)NC[C@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067696479 425912771 /nfs/dbraw/zinc/91/27/71/425912771.db2.gz JVATXDMYAIMOLD-LQYUOIDQSA-N 2 1 321.509 2.700 50 0 DFAAMP Cc1cccc2cc(C[N@@H+](C)CCCc3[nH+]ccn3C)c(=O)[nH]c12 ZINC000067842934 425913798 /nfs/dbraw/zinc/91/37/98/425913798.db2.gz FEJYFKWLJAFODP-UHFFFAOYSA-N 2 1 324.428 2.635 50 0 DFAAMP Cc1cccc2cc(C[N@H+](C)CCCc3[nH+]ccn3C)c(=O)[nH]c12 ZINC000067842934 425913799 /nfs/dbraw/zinc/91/37/99/425913799.db2.gz FEJYFKWLJAFODP-UHFFFAOYSA-N 2 1 324.428 2.635 50 0 DFAAMP Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])N[C@H]2c2ccccc2F)c1 ZINC000006785875 425630171 /nfs/dbraw/zinc/63/01/71/425630171.db2.gz HVMDMOSGUIRAPN-OAHLLOKOSA-N 2 1 311.364 2.591 50 0 DFAAMP Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000009422158 425687474 /nfs/dbraw/zinc/68/74/74/425687474.db2.gz DCUQAOPSXVPMRB-UHFFFAOYSA-N 2 1 324.432 2.617 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c(C)c1 ZINC000077489742 426137096 /nfs/dbraw/zinc/13/70/96/426137096.db2.gz CUGQGXLECAGGLT-LJQANCHMSA-N 2 1 302.462 2.726 50 0 DFAAMP Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c(C)c1 ZINC000077489742 426137099 /nfs/dbraw/zinc/13/70/99/426137099.db2.gz CUGQGXLECAGGLT-LJQANCHMSA-N 2 1 302.462 2.726 50 0 DFAAMP c1cc2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c2s1 ZINC000096453516 426430244 /nfs/dbraw/zinc/43/02/44/426430244.db2.gz KMYZPRSTNIAZIN-UHFFFAOYSA-N 2 1 317.458 2.845 50 0 DFAAMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000097164427 426456797 /nfs/dbraw/zinc/45/67/97/426456797.db2.gz NGMPHRPXPXPHMA-CQSZACIVSA-N 2 1 314.433 2.532 50 0 DFAAMP [NH3+][C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000097660458 426471831 /nfs/dbraw/zinc/47/18/31/426471831.db2.gz UYPVIXSLUMCFDH-AWEZNQCLSA-N 2 1 304.825 2.839 50 0 DFAAMP [NH3+][C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000097660458 426471836 /nfs/dbraw/zinc/47/18/36/426471836.db2.gz UYPVIXSLUMCFDH-AWEZNQCLSA-N 2 1 304.825 2.839 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000240163607 426712713 /nfs/dbraw/zinc/71/27/13/426712713.db2.gz JCHDGFBLJYHWFT-INIZCTEOSA-N 2 1 312.417 2.572 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000240163607 426712719 /nfs/dbraw/zinc/71/27/19/426712719.db2.gz JCHDGFBLJYHWFT-INIZCTEOSA-N 2 1 312.417 2.572 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000243892942 426721666 /nfs/dbraw/zinc/72/16/66/426721666.db2.gz AMJLCECERWAHLL-UHFFFAOYSA-N 2 1 311.389 2.535 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000243892942 426721671 /nfs/dbraw/zinc/72/16/71/426721671.db2.gz AMJLCECERWAHLL-UHFFFAOYSA-N 2 1 311.389 2.535 50 0 DFAAMP CC(C)Oc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000244574817 426724320 /nfs/dbraw/zinc/72/43/20/426724320.db2.gz CRYPQZOHJYCKGH-HWWDLCQESA-N 2 1 304.434 2.522 50 0 DFAAMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000248051499 426978177 /nfs/dbraw/zinc/97/81/77/426978177.db2.gz XMLCYXIZXQJSCG-SJLPKXTDSA-N 2 1 317.477 2.526 50 0 DFAAMP Cc1[nH+]ccn1CCN(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000252482008 427179714 /nfs/dbraw/zinc/17/97/14/427179714.db2.gz CWRRXGISQYGKFH-LJQANCHMSA-N 2 1 312.461 2.788 50 0 DFAAMP Cc1[nH+]ccn1CCN(C)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000252482008 427179720 /nfs/dbraw/zinc/17/97/20/427179720.db2.gz CWRRXGISQYGKFH-LJQANCHMSA-N 2 1 312.461 2.788 50 0 DFAAMP CC(C)C[NH+]1CCC(NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000065382718 277386048 /nfs/dbraw/zinc/38/60/48/277386048.db2.gz QDFGIZOPAFMLRK-PKOBYXMFSA-N 2 1 307.526 2.961 50 0 DFAAMP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000065382718 277386049 /nfs/dbraw/zinc/38/60/49/277386049.db2.gz QDFGIZOPAFMLRK-PKOBYXMFSA-N 3 1 307.526 2.961 50 0 DFAAMP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000065382718 277386051 /nfs/dbraw/zinc/38/60/51/277386051.db2.gz QDFGIZOPAFMLRK-PKOBYXMFSA-N 3 1 307.526 2.961 50 0 DFAAMP Cn1ccnc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820906 185343787 /nfs/dbraw/zinc/34/37/87/185343787.db2.gz ZPPALQCWHKMSLA-UHFFFAOYSA-N 2 1 313.449 2.554 50 0 DFAAMP Cn1ccnc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820906 185343788 /nfs/dbraw/zinc/34/37/88/185343788.db2.gz ZPPALQCWHKMSLA-UHFFFAOYSA-N 2 1 313.449 2.554 50 0 DFAAMP COC(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000249329650 398412620 /nfs/dbraw/zinc/41/26/20/398412620.db2.gz HLGHUWLTMCHVPI-ZWKOTPCHSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000249329650 398412621 /nfs/dbraw/zinc/41/26/21/398412621.db2.gz HLGHUWLTMCHVPI-ZWKOTPCHSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)OC ZINC000249329650 398412625 /nfs/dbraw/zinc/41/26/25/398412625.db2.gz HLGHUWLTMCHVPI-ZWKOTPCHSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC000249329650 398412627 /nfs/dbraw/zinc/41/26/27/398412627.db2.gz HLGHUWLTMCHVPI-ZWKOTPCHSA-N 2 1 318.461 2.592 50 0 DFAAMP Cc1ccc(SCCC[N@H+](C)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072470288 191176111 /nfs/dbraw/zinc/17/61/11/191176111.db2.gz PTNUWEOOIFSFLX-QGZVFWFLSA-N 2 1 308.491 2.524 50 0 DFAAMP CC(C)(C)[NH2+]CC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000003880255 181051749 /nfs/dbraw/zinc/05/17/49/181051749.db2.gz PKXMDDIOMFZRMG-UHFFFAOYSA-N 2 1 301.434 2.776 50 0 DFAAMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237675258 202325234 /nfs/dbraw/zinc/32/52/34/202325234.db2.gz XXGJGQSCFUQXPG-INIZCTEOSA-N 2 1 312.461 2.942 50 0 DFAAMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000169782457 399000757 /nfs/dbraw/zinc/00/07/57/399000757.db2.gz TYFPRRRYRYBDEM-HNNXBMFYSA-N 2 1 320.502 2.807 50 0 DFAAMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000169789836 399001625 /nfs/dbraw/zinc/00/16/25/399001625.db2.gz VOFNDFIPYDRLBS-HNNXBMFYSA-N 2 1 308.491 2.847 50 0 DFAAMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789831 399001950 /nfs/dbraw/zinc/00/19/50/399001950.db2.gz CDSQBRCXGOMTDS-OAHLLOKOSA-N 2 1 324.415 2.755 50 0 DFAAMP Clc1nc2ccccn2c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275475225 212357455 /nfs/dbraw/zinc/35/74/55/212357455.db2.gz HZFXNKXAHWLWNQ-GFCCVEGCSA-N 2 1 315.808 2.536 50 0 DFAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCCO)CC2)C1 ZINC000091305750 193036326 /nfs/dbraw/zinc/03/63/26/193036326.db2.gz OZJWTPLRZXWCQF-LJQANCHMSA-N 2 1 316.489 2.960 50 0 DFAAMP Cc1ccccc1C[N@@H+]1CC[C@@H](CNc2nc(N)[nH+]cc2C)C1 ZINC000091327029 193042330 /nfs/dbraw/zinc/04/23/30/193042330.db2.gz BERVRFLWSBFJBQ-HNNXBMFYSA-N 2 1 311.433 2.610 50 0 DFAAMP Cc1ccccc1C[N@H+]1CC[C@@H](CNc2nc(N)[nH+]cc2C)C1 ZINC000091327029 193042333 /nfs/dbraw/zinc/04/23/33/193042333.db2.gz BERVRFLWSBFJBQ-HNNXBMFYSA-N 2 1 311.433 2.610 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000093133034 193205145 /nfs/dbraw/zinc/20/51/45/193205145.db2.gz KKYQDZSTCJLVRW-LJQANCHMSA-N 2 1 301.478 2.515 50 0 DFAAMP CC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3ccccc3F)C2)CC1 ZINC000020778418 182246293 /nfs/dbraw/zinc/24/62/93/182246293.db2.gz HAVOZBCTAXLPQW-SFHVURJKSA-N 2 1 319.468 2.864 50 0 DFAAMP CCCOc1ccc(Br)cc1C[NH2+]CCC[NH2+]C ZINC000020967833 182257192 /nfs/dbraw/zinc/25/71/92/182257192.db2.gz OPCQIEZLMDDEHL-UHFFFAOYSA-N 2 1 315.255 2.937 50 0 DFAAMP C[C@@H]([NH3+])[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021948420 182299536 /nfs/dbraw/zinc/29/95/36/182299536.db2.gz XSKAVNAYEIVLKN-QAPCUYQASA-N 2 1 315.486 2.954 50 0 DFAAMP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000042229198 183245036 /nfs/dbraw/zinc/24/50/36/183245036.db2.gz BONKLBYUGNBZOC-ZDUSSCGKSA-N 2 1 314.408 2.790 50 0 DFAAMP Fc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000055043166 542452082 /nfs/dbraw/zinc/45/20/82/542452082.db2.gz XSMIPJRFJILVHT-UHFFFAOYSA-N 2 1 314.408 2.932 50 0 DFAAMP OC1CC[NH+](C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000067742169 542460704 /nfs/dbraw/zinc/46/07/04/542460704.db2.gz ZFSKGIOKDHUYOA-UHFFFAOYSA-N 2 1 313.445 2.589 50 0 DFAAMP CCc1ccc(C[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)s1 ZINC000426409582 257250769 /nfs/dbraw/zinc/25/07/69/257250769.db2.gz YJFDXGIAFZDZIT-UHFFFAOYSA-N 2 1 307.507 2.570 50 0 DFAAMP C[C@H](C1CC[NH+](Cc2cc(F)cc(F)c2)CC1)[NH+]1CCOCC1 ZINC000072408330 257270767 /nfs/dbraw/zinc/27/07/67/257270767.db2.gz UXHXEKCJBDEJOM-CQSZACIVSA-N 2 1 324.415 2.898 50 0 DFAAMP Cc1cccc(C[N@@H+](C[C@@]2(O)CC[NH2+]C2)C2CCCCC2)c1 ZINC000072408600 257270840 /nfs/dbraw/zinc/27/08/40/257270840.db2.gz XWCYVEWBDPRFTL-LJQANCHMSA-N 2 1 302.462 2.854 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000092746530 542549830 /nfs/dbraw/zinc/54/98/30/542549830.db2.gz LCBRGSCNJOIDEV-AOIWGVFYSA-N 2 1 307.526 2.818 50 0 DFAAMP COc1cc(C)c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000328636928 533573331 /nfs/dbraw/zinc/57/33/31/533573331.db2.gz OJJJPNQWNISTES-CQSZACIVSA-N 2 1 315.417 2.561 50 0 DFAAMP C[N@H+]1CCC[C@@H](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067982568 425915195 /nfs/dbraw/zinc/91/51/95/425915195.db2.gz SYGKHFSAHYERPE-HNNXBMFYSA-N 2 1 323.525 2.781 50 0 DFAAMP O=C(CCc1ccccc1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000067966392 425915280 /nfs/dbraw/zinc/91/52/80/425915280.db2.gz DNKMXLACGMUUEC-KRWDZBQOSA-N 2 1 300.446 2.652 50 0 DFAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OC ZINC000008253657 425664505 /nfs/dbraw/zinc/66/45/05/425664505.db2.gz ZGNHBAHBUICEKA-UHFFFAOYSA-N 2 1 300.830 2.789 50 0 DFAAMP CCOc1c(Cl)cc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000008253381 425664544 /nfs/dbraw/zinc/66/45/44/425664544.db2.gz IZWRNAHBRYJAGJ-UHFFFAOYSA-N 2 1 300.830 2.789 50 0 DFAAMP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030907283 425833159 /nfs/dbraw/zinc/83/31/59/425833159.db2.gz FVYIBSROUCZFGK-LBPRGKRZSA-N 2 1 302.447 2.712 50 0 DFAAMP Cc1cn2c(C[NH2+]CCC[NH+]3CCCCC3)c(C)nc2s1 ZINC000036822465 425846505 /nfs/dbraw/zinc/84/65/05/425846505.db2.gz AYPUMRUENPOYQA-UHFFFAOYSA-N 2 1 306.479 2.978 50 0 DFAAMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)CC1 ZINC000049169341 425878740 /nfs/dbraw/zinc/87/87/40/425878740.db2.gz PNUOAVVWRQBTRC-HNNXBMFYSA-N 2 1 312.417 2.620 50 0 biogenic,in-vitro DFAAMP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)CC1 ZINC000049169341 425878741 /nfs/dbraw/zinc/87/87/41/425878741.db2.gz PNUOAVVWRQBTRC-HNNXBMFYSA-N 2 1 312.417 2.620 50 0 biogenic,in-vitro DFAAMP c1ccc(-c2ncc3c(n2)CCC[C@H]3[NH2+]C2CC[NH2+]CC2)cc1 ZINC000091664991 426342677 /nfs/dbraw/zinc/34/26/77/426342677.db2.gz VKWJVBIJSHEJLS-QGZVFWFLSA-N 2 1 308.429 2.863 50 0 DFAAMP C[C@H]([NH3+])[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096544709 426438847 /nfs/dbraw/zinc/43/88/47/426438847.db2.gz XSKAVNAYEIVLKN-MAUKXSAKSA-N 2 1 315.486 2.954 50 0 DFAAMP Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200843 426457712 /nfs/dbraw/zinc/45/77/12/426457712.db2.gz BUKLTPQHNBCAAP-HNNXBMFYSA-N 2 1 300.406 2.929 50 0 DFAAMP C[NH+](C)Cc1csc(C[NH+]2CCN(c3cccnc3)CC2)c1 ZINC000215116192 426550556 /nfs/dbraw/zinc/55/05/56/426550556.db2.gz HTZKMBOIZKCBDQ-UHFFFAOYSA-N 2 1 316.474 2.527 50 0 DFAAMP Cc1cccc2c(C[NH+]3CCN4CC[N@@H+](C)C[C@H]4C3)cccc12 ZINC000225326954 426597835 /nfs/dbraw/zinc/59/78/35/426597835.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[NH+]3CCN4CC[N@H+](C)C[C@H]4C3)cccc12 ZINC000225326954 426597840 /nfs/dbraw/zinc/59/78/40/426597840.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[N@H+]3CCN4CC[NH+](C)C[C@H]4C3)cccc12 ZINC000225326954 426597844 /nfs/dbraw/zinc/59/78/44/426597844.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[N@@H+]3CCN4CC[NH+](C)C[C@H]4C3)cccc12 ZINC000225326954 426597846 /nfs/dbraw/zinc/59/78/46/426597846.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 2 1 309.457 2.580 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194118 426646466 /nfs/dbraw/zinc/64/64/66/426646466.db2.gz OOVPAUSPEWBZET-LRDDRELGSA-N 2 1 308.422 2.537 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000371472040 428393025 /nfs/dbraw/zinc/39/30/25/428393025.db2.gz XVPLBMQGHBMZMW-IPMKNSEASA-N 2 1 302.462 2.987 50 0 DFAAMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031568 275057449 /nfs/dbraw/zinc/05/74/49/275057449.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031568 275057450 /nfs/dbraw/zinc/05/74/50/275057450.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031568 275057451 /nfs/dbraw/zinc/05/74/51/275057451.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 2 1 318.436 2.808 50 0 DFAAMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000097287839 277212018 /nfs/dbraw/zinc/21/20/18/277212018.db2.gz UTBJCWWWAWXGDD-UHFFFAOYSA-N 2 1 315.255 2.507 50 0 DFAAMP OC[C@H]1CCCC[N@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000000757724 398346276 /nfs/dbraw/zinc/34/62/76/398346276.db2.gz OMZWBQCUDFGCOD-LJQANCHMSA-N 2 1 302.462 2.540 50 0 DFAAMP OC[C@H]1CCCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757724 398346278 /nfs/dbraw/zinc/34/62/78/398346278.db2.gz OMZWBQCUDFGCOD-LJQANCHMSA-N 2 1 302.462 2.540 50 0 DFAAMP OC[C@H]1CCCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757724 398346281 /nfs/dbraw/zinc/34/62/81/398346281.db2.gz OMZWBQCUDFGCOD-LJQANCHMSA-N 2 1 302.462 2.540 50 0 DFAAMP Cc1ccc2nc(C[N@H+](C)C[C@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000328639488 398569269 /nfs/dbraw/zinc/56/92/69/398569269.db2.gz POOYZIPUTPBXQH-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1ccc2nc(C[N@@H+](C)C[C@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000328639488 398569272 /nfs/dbraw/zinc/56/92/72/398569272.db2.gz POOYZIPUTPBXQH-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@@]1(c2ccccc2)CC1(C)C ZINC000072121557 191040751 /nfs/dbraw/zinc/04/07/51/191040751.db2.gz OMFWABXWSYDDCQ-HXUWFJFHSA-N 2 1 324.472 2.786 50 0 DFAAMP Cc1cccc(C[NH+]2CCN(CC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000075092792 398785163 /nfs/dbraw/zinc/78/51/63/398785163.db2.gz ONHPUQOXKKLXAS-LJQANCHMSA-N 2 1 315.505 2.845 50 0 DFAAMP Cc1cc(NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091474433 193061703 /nfs/dbraw/zinc/06/17/03/193061703.db2.gz UKIUDWJCQLIJMK-INIZCTEOSA-N 2 1 311.433 2.691 50 0 DFAAMP CC[NH+]1CCC([N@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000023282407 182355530 /nfs/dbraw/zinc/35/55/30/182355530.db2.gz SKJJOFUNHYQUMR-UHFFFAOYSA-N 2 1 306.450 2.662 50 0 DFAAMP CC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000023282407 182355533 /nfs/dbraw/zinc/35/55/33/182355533.db2.gz SKJJOFUNHYQUMR-UHFFFAOYSA-N 2 1 306.450 2.662 50 0 DFAAMP Cc1cc(C[N@@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)oc1C ZINC000023374237 182358184 /nfs/dbraw/zinc/35/81/84/182358184.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 2 1 307.482 2.744 50 0 DFAAMP [NH3+]CC[NH2+]CCCCOc1ccc(Cl)cc1Br ZINC000039960873 183024858 /nfs/dbraw/zinc/02/48/58/183024858.db2.gz QWKJIJPUNXHUCC-UHFFFAOYSA-N 2 1 321.646 2.810 50 0 DFAAMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000244594246 257259565 /nfs/dbraw/zinc/25/95/65/257259565.db2.gz DJGITFYYFWKBPK-WOVMCDHWSA-N 2 1 305.441 2.855 50 0 DFAAMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000221762321 542882310 /nfs/dbraw/zinc/88/23/10/542882310.db2.gz NOBONNGYUUDDDU-JAZQRGJZSA-N 2 1 314.473 2.648 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000371472035 150051205 /nfs/dbraw/zinc/05/12/05/150051205.db2.gz XVPLBMQGHBMZMW-CEXWTWQISA-N 2 1 302.462 2.987 50 0 DFAAMP CCCc1cn(C2CC[NH+](C[C@H]3CCC[N@@H+](CC)C3)CC2)nn1 ZINC000055168564 425892204 /nfs/dbraw/zinc/89/22/04/425892204.db2.gz XJCQMNHVHYPWTK-INIZCTEOSA-N 2 1 319.497 2.599 50 0 DFAAMP CC(C)c1[nH+]ccn1[C@H](C)c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067641477 425912063 /nfs/dbraw/zinc/91/20/63/425912063.db2.gz BIIVDXUNUVPPJV-CYBMUJFWSA-N 2 1 317.437 2.883 50 0 DFAAMP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000067676767 425912487 /nfs/dbraw/zinc/91/24/87/425912487.db2.gz VABDJHHSMDXSFY-GOSISDBHSA-N 2 1 304.434 2.669 50 0 DFAAMP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000067676767 425912488 /nfs/dbraw/zinc/91/24/88/425912488.db2.gz VABDJHHSMDXSFY-GOSISDBHSA-N 2 1 304.434 2.669 50 0 DFAAMP c1ccc(CN2CCC([N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947621 425915065 /nfs/dbraw/zinc/91/50/65/425915065.db2.gz UJBGGBGNLADJCH-FQEVSTJZSA-N 2 1 313.489 2.727 50 0 DFAAMP c1ccc(CN2CCC([N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947621 425915066 /nfs/dbraw/zinc/91/50/66/425915066.db2.gz UJBGGBGNLADJCH-FQEVSTJZSA-N 2 1 313.489 2.727 50 0 DFAAMP Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000009422434 425688401 /nfs/dbraw/zinc/68/84/01/425688401.db2.gz QRXAYZJPIAIVOK-UHFFFAOYSA-N 2 1 324.432 2.617 50 0 DFAAMP Cc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)[nH]n1 ZINC000012446307 425727052 /nfs/dbraw/zinc/72/70/52/425727052.db2.gz LVKXFAZESNSTFI-UHFFFAOYSA-N 2 1 316.449 2.964 50 0 DFAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000012440024 425727875 /nfs/dbraw/zinc/72/78/75/425727875.db2.gz ZCDWHUOXIAYDOC-SFHVURJKSA-N 2 1 324.428 2.994 50 0 DFAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)cc1 ZINC000012440024 425727878 /nfs/dbraw/zinc/72/78/78/425727878.db2.gz ZCDWHUOXIAYDOC-SFHVURJKSA-N 2 1 324.428 2.994 50 0 DFAAMP Cc1cn2c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c(C)nc2s1 ZINC000037648907 425849003 /nfs/dbraw/zinc/84/90/03/425849003.db2.gz ICQFINORJRMQLH-ZDUSSCGKSA-N 2 1 304.463 2.587 50 0 DFAAMP Cc1cn2c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c(C)nc2s1 ZINC000037648907 425849004 /nfs/dbraw/zinc/84/90/04/425849004.db2.gz ICQFINORJRMQLH-ZDUSSCGKSA-N 2 1 304.463 2.587 50 0 DFAAMP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000077506123 426137262 /nfs/dbraw/zinc/13/72/62/426137262.db2.gz RCRWFUZMCRMXEU-FQEVSTJZSA-N 3 1 315.505 2.886 50 0 DFAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000077506123 426137264 /nfs/dbraw/zinc/13/72/64/426137264.db2.gz RCRWFUZMCRMXEU-FQEVSTJZSA-N 3 1 315.505 2.886 50 0 DFAAMP Cc1[nH+]ccn1CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000089735679 426305170 /nfs/dbraw/zinc/30/51/70/426305170.db2.gz XQQYKJKNSKVASF-UHFFFAOYSA-N 2 1 304.482 2.780 50 0 DFAAMP Cc1cccc(NC2CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)[nH+]1 ZINC000095987363 426383875 /nfs/dbraw/zinc/38/38/75/426383875.db2.gz XZKASDNNMMHGNO-QUCCMNQESA-N 2 1 323.440 2.925 50 0 DFAAMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000097162471 426456223 /nfs/dbraw/zinc/45/62/23/426456223.db2.gz SNGHYMFXKHLNSM-MRXNPFEDSA-N 2 1 300.450 2.902 50 0 DFAAMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@](O)(CN(C)C)C3)cc2)o1 ZINC000216282685 426557704 /nfs/dbraw/zinc/55/77/04/426557704.db2.gz WCVNBWKXCNQMIA-IBGZPJMESA-N 2 1 314.429 2.753 50 0 DFAAMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C[NH+](C)C)C3)cc2)o1 ZINC000216282685 426557708 /nfs/dbraw/zinc/55/77/08/426557708.db2.gz WCVNBWKXCNQMIA-IBGZPJMESA-N 2 1 314.429 2.753 50 0 DFAAMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@](O)(C[NH+](C)C)C3)cc2)o1 ZINC000216282685 426557711 /nfs/dbraw/zinc/55/77/11/426557711.db2.gz WCVNBWKXCNQMIA-IBGZPJMESA-N 2 1 314.429 2.753 50 0 DFAAMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000241439984 426716377 /nfs/dbraw/zinc/71/63/77/426716377.db2.gz NOBONNGYUUDDDU-UHZRXMQZSA-N 2 1 314.473 2.648 50 0 DFAAMP Cn1c(C[N@@H+]2CCC3(C2)CCCCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244691637 426723981 /nfs/dbraw/zinc/72/39/81/426723981.db2.gz JGIRATQCMIDKFA-SHTZXODSSA-N 2 1 317.481 2.566 50 0 DFAAMP Cn1c(C[N@H+]2CCC3(C2)CCCCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244691637 426723985 /nfs/dbraw/zinc/72/39/85/426723985.db2.gz JGIRATQCMIDKFA-SHTZXODSSA-N 2 1 317.481 2.566 50 0 DFAAMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000253425760 427208757 /nfs/dbraw/zinc/20/87/57/427208757.db2.gz HDTUJELYLUPJEM-VQIMIIECSA-N 2 1 319.468 2.592 50 0 DFAAMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000253425760 427208759 /nfs/dbraw/zinc/20/87/59/427208759.db2.gz HDTUJELYLUPJEM-VQIMIIECSA-N 2 1 319.468 2.592 50 0 DFAAMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000129908263 323212119 /nfs/dbraw/zinc/21/21/19/323212119.db2.gz IPHWBHREAUEDSE-STQMWFEESA-N 2 1 308.388 2.808 50 0 DFAAMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000328631905 231266015 /nfs/dbraw/zinc/26/60/15/231266015.db2.gz KXRXPVSPFOZWSQ-INIZCTEOSA-N 3 1 316.493 2.832 50 0 DFAAMP C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328651824 398568720 /nfs/dbraw/zinc/56/87/20/398568720.db2.gz WBDVBNIXVNDBJZ-CYBMUJFWSA-N 2 1 301.438 2.598 50 0 DFAAMP C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328651824 398568722 /nfs/dbraw/zinc/56/87/22/398568722.db2.gz WBDVBNIXVNDBJZ-CYBMUJFWSA-N 2 1 301.438 2.598 50 0 DFAAMP Cn1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000072439893 191167614 /nfs/dbraw/zinc/16/76/14/191167614.db2.gz CERSNDOGDVLHQI-UHFFFAOYSA-N 2 1 312.461 2.764 50 0 DFAAMP C[NH+](C)C[C@]1(O)CC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000072463699 191174278 /nfs/dbraw/zinc/17/42/78/191174278.db2.gz ORUOYZONVIYIOA-OAQYLSRUSA-N 2 1 324.468 2.817 50 0 DFAAMP Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000006672899 181368459 /nfs/dbraw/zinc/36/84/59/181368459.db2.gz HXUOAEHJANFCMI-UHFFFAOYSA-N 2 1 324.432 2.617 50 0 DFAAMP Cc1[nH+]ccn1Cc1cccc(CNc2cc(C)[nH+]c(N)n2)c1 ZINC000051856376 425883526 /nfs/dbraw/zinc/88/35/26/425883526.db2.gz NXCGPAIAPWXTHU-UHFFFAOYSA-N 2 1 308.389 2.533 50 0 DFAAMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000159317528 197345238 /nfs/dbraw/zinc/34/52/38/197345238.db2.gz NNEFYOJEIHVNIP-CQSZACIVSA-N 2 1 311.433 2.808 50 0 DFAAMP C[NH+]1CCC(C)(C[N@H+](C/C=C/c2ccccc2)CCO)CC1 ZINC000063857112 184289852 /nfs/dbraw/zinc/28/98/52/184289852.db2.gz BZVONPAEMGKFDT-RMKNXTFCSA-N 2 1 302.462 2.726 50 0 DFAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000216502619 257273765 /nfs/dbraw/zinc/27/37/65/257273765.db2.gz FNJRBSPOXMWNGN-UHFFFAOYSA-N 2 1 315.461 2.958 50 0 DFAAMP CC(C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426727291 257243544 /nfs/dbraw/zinc/24/35/44/257243544.db2.gz ASKBBAKAPSPDFH-IBGZPJMESA-N 2 1 321.509 2.619 50 0 DFAAMP c1coc(CN2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000426479719 257249649 /nfs/dbraw/zinc/24/96/49/257249649.db2.gz JTJQLQFKGPYQLL-PKOBYXMFSA-N 2 1 317.477 2.662 50 0 DFAAMP c1coc(CN2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000426479719 257249650 /nfs/dbraw/zinc/24/96/50/257249650.db2.gz JTJQLQFKGPYQLL-PKOBYXMFSA-N 2 1 317.477 2.662 50 0 DFAAMP COc1cc(C)c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000328636927 533573358 /nfs/dbraw/zinc/57/33/58/533573358.db2.gz OJJJPNQWNISTES-AWEZNQCLSA-N 2 1 315.417 2.561 50 0 DFAAMP Cn1c(C[N@@H+]2CCC3(C2)CCCCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222810842 542884426 /nfs/dbraw/zinc/88/44/26/542884426.db2.gz JGIRATQCMIDKFA-GASCZTMLSA-N 2 1 317.481 2.566 50 0 DFAAMP Cn1c(C[N@H+]2CCC3(C2)CCCCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222810842 542884431 /nfs/dbraw/zinc/88/44/31/542884431.db2.gz JGIRATQCMIDKFA-GASCZTMLSA-N 2 1 317.481 2.566 50 0 DFAAMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772111 146273718 /nfs/dbraw/zinc/27/37/18/146273718.db2.gz DSWGOQCUDXMWME-KRWDZBQOSA-N 2 1 312.461 2.809 50 0 DFAAMP CC(C)C[NH+]1CCC(C[N@H+](C)Cc2nc(CC3CC3)no2)CC1 ZINC000012612041 425732504 /nfs/dbraw/zinc/73/25/04/425732504.db2.gz LNPGAOBGBCVPLJ-UHFFFAOYSA-N 2 1 320.481 2.822 50 0 DFAAMP CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2nc(CC3CC3)no2)CC1 ZINC000012612041 425732507 /nfs/dbraw/zinc/73/25/07/425732507.db2.gz LNPGAOBGBCVPLJ-UHFFFAOYSA-N 2 1 320.481 2.822 50 0 DFAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013733251 425760804 /nfs/dbraw/zinc/76/08/04/425760804.db2.gz POEULQRUDOYLHF-UHFFFAOYSA-N 2 1 308.809 2.662 50 0 DFAAMP C[NH+](C)CC(=O)Nc1cccc(C[NH2+]Cc2ccsc2)c1 ZINC000047830695 425872025 /nfs/dbraw/zinc/87/20/25/425872025.db2.gz SWNSYORUDPPVKN-UHFFFAOYSA-N 2 1 303.431 2.538 50 0 DFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745050 425877037 /nfs/dbraw/zinc/87/70/37/425877037.db2.gz MWBPIGPQPMLRDN-AWEZNQCLSA-N 2 1 314.433 2.517 50 0 DFAAMP COC(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000161608360 426031925 /nfs/dbraw/zinc/03/19/25/426031925.db2.gz HLGHUWLTMCHVPI-MSOLQXFVSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000161608360 426031927 /nfs/dbraw/zinc/03/19/27/426031927.db2.gz HLGHUWLTMCHVPI-MSOLQXFVSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)OC ZINC000161608360 426031930 /nfs/dbraw/zinc/03/19/30/426031930.db2.gz HLGHUWLTMCHVPI-MSOLQXFVSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC000161608360 426031931 /nfs/dbraw/zinc/03/19/31/426031931.db2.gz HLGHUWLTMCHVPI-MSOLQXFVSA-N 2 1 318.461 2.592 50 0 DFAAMP C[NH+](C)C[C@@]1(O)CCCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000072473110 426015091 /nfs/dbraw/zinc/01/50/91/426015091.db2.gz WNVIDKYARGQQMA-KRWDZBQOSA-N 2 1 319.836 2.781 50 0 DFAAMP Cc1cccc(N2CCC([NH2+][C@H]3CN(C(C)C)C[C@@H]3C)CC2)[nH+]1 ZINC000095422612 426372167 /nfs/dbraw/zinc/37/21/67/426372167.db2.gz IIWXNRHDSOHGAU-YJBOKZPZSA-N 2 1 316.493 2.677 50 0 DFAAMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000095952908 426375956 /nfs/dbraw/zinc/37/59/56/426375956.db2.gz OYWBNEVZRPDTGU-ICSRJNTNSA-N 2 1 315.505 2.720 50 0 DFAAMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000096441485 426425943 /nfs/dbraw/zinc/42/59/43/426425943.db2.gz GHAYFRJDZFZRTF-SFHVURJKSA-N 2 1 315.461 2.953 50 0 DFAAMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000096441485 426425944 /nfs/dbraw/zinc/42/59/44/426425944.db2.gz GHAYFRJDZFZRTF-SFHVURJKSA-N 2 1 315.461 2.953 50 0 DFAAMP C[C@H](c1ccsc1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000097142292 426453088 /nfs/dbraw/zinc/45/30/88/426453088.db2.gz QZVYKPAQAZEVJE-MRXNPFEDSA-N 2 1 307.507 2.913 50 0 DFAAMP CC(=O)c1cc(C[NH+]2CCC([C@@H](C)[NH+]3CCCC3)CC2)n(C)c1 ZINC000215612902 426552963 /nfs/dbraw/zinc/55/29/63/426552963.db2.gz YKDCRYLQFNCRJU-OAHLLOKOSA-N 2 1 317.477 2.924 50 0 DFAAMP CCn1nccc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275732956 426907785 /nfs/dbraw/zinc/90/77/85/426907785.db2.gz UURNDPBGDZCTRY-MRXNPFEDSA-N 2 1 313.449 2.734 50 0 DFAAMP CCn1nccc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275732956 426907790 /nfs/dbraw/zinc/90/77/90/426907790.db2.gz UURNDPBGDZCTRY-MRXNPFEDSA-N 2 1 313.449 2.734 50 0 DFAAMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cncn1Cc1ccccc1)C2 ZINC000252485107 427179530 /nfs/dbraw/zinc/17/95/30/427179530.db2.gz GNPGPVISYBASND-ZWKOTPCHSA-N 2 1 310.445 2.600 50 0 DFAAMP C[N@@H+](Cc1ccnc(N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520160 427371423 /nfs/dbraw/zinc/37/14/23/427371423.db2.gz WLFSPDHUFLRYIV-GOSISDBHSA-N 2 1 310.445 2.618 50 0 DFAAMP C[N@H+](Cc1ccnc(N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191520160 427371427 /nfs/dbraw/zinc/37/14/27/427371427.db2.gz WLFSPDHUFLRYIV-GOSISDBHSA-N 2 1 310.445 2.618 50 0 DFAAMP C[NH+](Cc1ccnc(N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191520160 427371431 /nfs/dbraw/zinc/37/14/31/427371431.db2.gz WLFSPDHUFLRYIV-GOSISDBHSA-N 2 1 310.445 2.618 50 0 DFAAMP C[NH+](Cc1ccnc(N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191520160 427371436 /nfs/dbraw/zinc/37/14/36/427371436.db2.gz WLFSPDHUFLRYIV-GOSISDBHSA-N 2 1 310.445 2.618 50 0 DFAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000249028716 276198455 /nfs/dbraw/zinc/19/84/55/276198455.db2.gz AYVLCJGFSDWJCR-GUDVDZBRSA-N 2 1 305.510 2.691 50 0 DFAAMP CC(C)OCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328606895 527937737 /nfs/dbraw/zinc/93/77/37/527937737.db2.gz TWNRRSRBQMACFQ-GOSISDBHSA-N 2 1 305.466 2.841 50 0 DFAAMP CCCc1cc(N2CCC([NH2+]CCOC(C)C)CC2)nc(C)[nH+]1 ZINC000095502122 185374922 /nfs/dbraw/zinc/37/49/22/185374922.db2.gz VSGZVESUYNCXPQ-UHFFFAOYSA-N 2 1 320.481 2.721 50 0 DFAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000584902243 398430862 /nfs/dbraw/zinc/43/08/62/398430862.db2.gz LAUYJROUAURUKV-GFCCVEGCSA-N 2 1 315.396 2.818 50 0 DFAAMP C[N@H+](CCOc1ccccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646577 398569192 /nfs/dbraw/zinc/56/91/92/398569192.db2.gz SSQNFVYXFJBJLE-AWEZNQCLSA-N 2 1 303.381 2.595 50 0 DFAAMP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646577 398569195 /nfs/dbraw/zinc/56/91/95/398569195.db2.gz SSQNFVYXFJBJLE-AWEZNQCLSA-N 2 1 303.381 2.595 50 0 DFAAMP CC(C)[N@H+]1CCC[C@H](C[NH+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151032 191055295 /nfs/dbraw/zinc/05/52/95/191055295.db2.gz OGVNLJAHNQVZND-LJQANCHMSA-N 3 1 303.494 2.740 50 0 DFAAMP CC(C)[NH+]1CCC[C@H](C[N@H+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151032 191055299 /nfs/dbraw/zinc/05/52/99/191055299.db2.gz OGVNLJAHNQVZND-LJQANCHMSA-N 3 1 303.494 2.740 50 0 DFAAMP CC(C)[NH+]1CCC[C@H](C[N@@H+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151032 191055302 /nfs/dbraw/zinc/05/53/02/191055302.db2.gz OGVNLJAHNQVZND-LJQANCHMSA-N 3 1 303.494 2.740 50 0 DFAAMP CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151032 191055305 /nfs/dbraw/zinc/05/53/05/191055305.db2.gz OGVNLJAHNQVZND-LJQANCHMSA-N 2 1 303.494 2.740 50 0 DFAAMP CC(C)[N@H+]1CCC[C@H](CN(C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151032 191055307 /nfs/dbraw/zinc/05/53/07/191055307.db2.gz OGVNLJAHNQVZND-LJQANCHMSA-N 2 1 303.494 2.740 50 0 DFAAMP COc1cc(C)c(C[N@@H+]2CCOC[C@H](C[NH+](C)C)C2)c(C)c1C ZINC000072150627 191055945 /nfs/dbraw/zinc/05/59/45/191055945.db2.gz SFCOAZGVHVEPIQ-QGZVFWFLSA-N 2 1 320.477 2.630 50 0 DFAAMP COc1cc(C)c(C[N@H+]2CCOC[C@H](C[NH+](C)C)C2)c(C)c1C ZINC000072150627 191055948 /nfs/dbraw/zinc/05/59/48/191055948.db2.gz SFCOAZGVHVEPIQ-QGZVFWFLSA-N 2 1 320.477 2.630 50 0 DFAAMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@H](C)C1 ZINC000096477391 398659337 /nfs/dbraw/zinc/65/93/37/398659337.db2.gz MNYWMMGUVMHAIH-RHSMWYFYSA-N 2 1 303.450 2.690 50 0 DFAAMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@H](C)C1 ZINC000096477391 398659340 /nfs/dbraw/zinc/65/93/40/398659340.db2.gz MNYWMMGUVMHAIH-RHSMWYFYSA-N 2 1 303.450 2.690 50 0 DFAAMP Cc1ccc(SCCC[N@H+](C)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072470286 191176015 /nfs/dbraw/zinc/17/60/15/191176015.db2.gz PTNUWEOOIFSFLX-KRWDZBQOSA-N 2 1 308.491 2.524 50 0 DFAAMP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000275440531 212332205 /nfs/dbraw/zinc/33/22/05/212332205.db2.gz FUMAIRKZGCWIEM-HNNXBMFYSA-N 2 1 311.429 2.949 50 0 DFAAMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000006834848 181397544 /nfs/dbraw/zinc/39/75/44/181397544.db2.gz VKSVGJLUHRQJME-QGZVFWFLSA-N 2 1 320.477 2.624 50 0 DFAAMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccccc1 ZINC000057752201 184051429 /nfs/dbraw/zinc/05/14/29/184051429.db2.gz UFFQDFGWJNIXDT-UHFFFAOYSA-N 2 1 324.428 2.655 50 0 DFAAMP Cn1cc(CCC[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000067743075 542460199 /nfs/dbraw/zinc/46/01/99/542460199.db2.gz MMTGEIFIIYLTLN-UHFFFAOYSA-N 2 1 304.482 2.597 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000408525478 257254738 /nfs/dbraw/zinc/25/47/38/257254738.db2.gz BVOLCGBVDLOIJH-SZMVWBNQSA-N 2 1 317.477 2.655 50 0 DFAAMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261772117 146274253 /nfs/dbraw/zinc/27/42/53/146274253.db2.gz DSWGOQCUDXMWME-QGZVFWFLSA-N 2 1 312.461 2.809 50 0 DFAAMP C[N@H+]1CCC[C@@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562051 425911324 /nfs/dbraw/zinc/91/13/24/425911324.db2.gz MQDONIGXKAGVCF-MRXNPFEDSA-N 2 1 302.397 2.790 50 0 DFAAMP CCc1nc2c3ccccc3oc2c(NN2CCN(C)CC2)n1 ZINC000005195040 425623478 /nfs/dbraw/zinc/62/34/78/425623478.db2.gz CAJCGMFZHKRAOV-UHFFFAOYSA-N 2 1 311.389 2.513 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000270651056 268196006 /nfs/dbraw/zinc/19/60/06/268196006.db2.gz ORJYWTZANIQZOY-MRXNPFEDSA-N 2 1 324.432 2.504 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000270651056 268196007 /nfs/dbraw/zinc/19/60/07/268196007.db2.gz ORJYWTZANIQZOY-MRXNPFEDSA-N 2 1 324.432 2.504 50 0 DFAAMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000071899648 426000893 /nfs/dbraw/zinc/00/08/93/426000893.db2.gz UDTOCICOSIGWCQ-UHFFFAOYSA-N 2 1 318.440 2.969 50 0 DFAAMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932857 426200524 /nfs/dbraw/zinc/20/05/24/426200524.db2.gz YKYQELFZTIEMET-ATZDWAIDSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932857 426200527 /nfs/dbraw/zinc/20/05/27/426200527.db2.gz YKYQELFZTIEMET-ATZDWAIDSA-N 2 1 318.436 2.808 50 0 DFAAMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932857 426200531 /nfs/dbraw/zinc/20/05/31/426200531.db2.gz YKYQELFZTIEMET-ATZDWAIDSA-N 2 1 318.436 2.808 50 0 DFAAMP CC(=O)NC1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000132928802 426171504 /nfs/dbraw/zinc/17/15/04/426171504.db2.gz UTSRHKHBDYUXQN-DAWZGUTISA-N 2 1 321.509 2.820 50 0 DFAAMP CC(=O)NC1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000132928802 426171507 /nfs/dbraw/zinc/17/15/07/426171507.db2.gz UTSRHKHBDYUXQN-DAWZGUTISA-N 2 1 321.509 2.820 50 0 DFAAMP Cc1ccc([C@H](C(=O)NC(C)(C)C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000095358947 426368685 /nfs/dbraw/zinc/36/86/85/426368685.db2.gz FSQVMPIHGCHPOI-QGZVFWFLSA-N 2 1 317.477 2.588 50 0 DFAAMP Cc1ccc[nH+]c1N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095375322 426369927 /nfs/dbraw/zinc/36/99/27/426369927.db2.gz CVUGDLZYMXWDGX-MRXNPFEDSA-N 2 1 313.449 2.532 50 0 DFAAMP C[C@@H](CCC[NH+](C)C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000096013342 426388369 /nfs/dbraw/zinc/38/83/69/426388369.db2.gz FGMNNUMZCHKYSF-WMZOPIPTSA-N 2 1 318.461 2.925 50 0 DFAAMP C[C@@H](CCC[NH+](C)C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000096013342 426388372 /nfs/dbraw/zinc/38/83/72/426388372.db2.gz FGMNNUMZCHKYSF-WMZOPIPTSA-N 2 1 318.461 2.925 50 0 DFAAMP C[C@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096414943 426418137 /nfs/dbraw/zinc/41/81/37/426418137.db2.gz AHDHPUAGZKBXTG-HKUYNNGSSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]1C[C@@H]([NH+](C)CCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000096414943 426418139 /nfs/dbraw/zinc/41/81/39/426418139.db2.gz AHDHPUAGZKBXTG-HKUYNNGSSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]1C[C@@H]([N@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414943 426418142 /nfs/dbraw/zinc/41/81/42/426418142.db2.gz AHDHPUAGZKBXTG-HKUYNNGSSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]1C[C@@H]([N@@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414943 426418145 /nfs/dbraw/zinc/41/81/45/426418145.db2.gz AHDHPUAGZKBXTG-HKUYNNGSSA-N 2 1 312.461 2.868 50 0 DFAAMP Cc1cc2cc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc2cc1C ZINC000096453974 426430563 /nfs/dbraw/zinc/43/05/63/426430563.db2.gz LYTFXQJSHKIHQV-MRXNPFEDSA-N 2 1 315.461 2.775 50 0 DFAAMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491280 426435853 /nfs/dbraw/zinc/43/58/53/426435853.db2.gz IDXPHEUFTGJFRC-ZBFHGGJFSA-N 2 1 317.433 2.778 50 0 DFAAMP C[C@H](Nc1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000097038039 279555788 /nfs/dbraw/zinc/55/57/88/279555788.db2.gz JQEPPMKMKNVWBP-INIZCTEOSA-N 2 1 317.477 2.661 50 0 DFAAMP COC1(OC)CC[C@@H]([N@@H+](C)Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000725261738 563567832 /nfs/dbraw/zinc/56/78/32/563567832.db2.gz DYGREQAGYOOJFA-DLBZAZTESA-N 2 1 306.450 2.625 50 0 DFAAMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000095419482 185359794 /nfs/dbraw/zinc/35/97/94/185359794.db2.gz HCTZSPKASPDWHP-UHFFFAOYSA-N 2 1 300.446 2.797 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000095421911 185360704 /nfs/dbraw/zinc/36/07/04/185360704.db2.gz STGOMVBCAKPCIR-LORHWOILSA-N 2 1 318.461 2.640 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000095421911 185360705 /nfs/dbraw/zinc/36/07/05/185360705.db2.gz STGOMVBCAKPCIR-LORHWOILSA-N 2 1 318.461 2.640 50 0 DFAAMP CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183838597 186222793 /nfs/dbraw/zinc/22/27/93/186222793.db2.gz ALRSKYDTISICJR-CYBMUJFWSA-N 2 1 314.433 2.604 50 0 DFAAMP Cc1cc(C)c2[nH]c(C[NH2+]CC[C@H]3CCC[N@@H+]3C)cc(=O)c2c1 ZINC000091782486 193107076 /nfs/dbraw/zinc/10/70/76/193107076.db2.gz KKLCHODRTNBCIQ-MRXNPFEDSA-N 2 1 313.445 2.719 50 0 DFAAMP Cc1cc(C)n(C[C@@H](C)C[NH2+][C@H](C)Cn2c[nH+]c(C)c2C)n1 ZINC000093398710 193244975 /nfs/dbraw/zinc/24/49/75/193244975.db2.gz BNVGKPKGDSKECI-GXTWGEPZSA-N 2 1 303.454 2.628 50 0 DFAAMP Cc1cc(C)n(C[C@H](C)C[NH2+][C@H](C)Cn2c[nH+]c(C)c2C)n1 ZINC000093398711 193244769 /nfs/dbraw/zinc/24/47/69/193244769.db2.gz BNVGKPKGDSKECI-TZMCWYRMSA-N 2 1 303.454 2.628 50 0 DFAAMP Cc1cc(C[N@@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)oc1C ZINC000023374234 182358123 /nfs/dbraw/zinc/35/81/23/182358123.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 2 1 307.482 2.744 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000371472038 150051878 /nfs/dbraw/zinc/05/18/78/150051878.db2.gz XVPLBMQGHBMZMW-GUDVDZBRSA-N 2 1 302.462 2.987 50 0 DFAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1[nH]nc2c1CCCCC2 ZINC000067433634 425910293 /nfs/dbraw/zinc/91/02/93/425910293.db2.gz WREIPLOPFUQSKZ-ZDUSSCGKSA-N 2 1 301.438 2.616 50 0 DFAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCC ZINC000008253878 425664012 /nfs/dbraw/zinc/66/40/12/425664012.db2.gz NWXGCSFQEDHXLK-UHFFFAOYSA-N 2 1 300.830 2.837 50 0 DFAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C3CCOCC3)CC2)o1 ZINC000012075382 425718802 /nfs/dbraw/zinc/71/88/02/425718802.db2.gz SIYIEHKMXYOVHX-UHFFFAOYSA-N 2 1 306.450 2.911 50 0 DFAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000037644283 425849050 /nfs/dbraw/zinc/84/90/50/425849050.db2.gz NHGRFSVTZNPDCG-GFCCVEGCSA-N 2 1 310.825 2.543 50 0 DFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000037644283 425849051 /nfs/dbraw/zinc/84/90/51/425849051.db2.gz NHGRFSVTZNPDCG-GFCCVEGCSA-N 2 1 310.825 2.543 50 0 DFAAMP C[C@H](CC(=O)NC(=[NH2+])NCCCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000071773520 425988939 /nfs/dbraw/zinc/98/89/39/425988939.db2.gz FIMXKRNPMASEEN-CYBMUJFWSA-N 2 1 319.453 2.589 50 0 DFAAMP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000071893857 426001414 /nfs/dbraw/zinc/00/14/14/426001414.db2.gz QHHQCZXECJQKIM-UHFFFAOYSA-N 2 1 304.397 2.952 50 0 DFAAMP Cc1cccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000097096569 426448603 /nfs/dbraw/zinc/44/86/03/426448603.db2.gz GSJXKVPQVPUCJO-HOTGVXAUSA-N 2 1 303.450 2.716 50 0 DFAAMP C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000097229002 426459811 /nfs/dbraw/zinc/45/98/11/426459811.db2.gz GUKIXORTYCIUMN-PKOBYXMFSA-N 2 1 301.478 2.582 50 0 DFAAMP Cn1cc(C[N@H+](Cc2cc(C[NH+](C)C)cs2)C2CC2)cn1 ZINC000097259379 426461960 /nfs/dbraw/zinc/46/19/60/426461960.db2.gz UMOCHLJCUMTPDQ-UHFFFAOYSA-N 2 1 304.463 2.708 50 0 DFAAMP Cn1cc(C[N@@H+](Cc2cc(C[NH+](C)C)cs2)C2CC2)cn1 ZINC000097259379 426461963 /nfs/dbraw/zinc/46/19/63/426461963.db2.gz UMOCHLJCUMTPDQ-UHFFFAOYSA-N 2 1 304.463 2.708 50 0 DFAAMP C[N@H+]1CCC2(C1)CC[NH+](C[C@@]1(c3ccccc3)CCOC1)CC2 ZINC000215186535 426549438 /nfs/dbraw/zinc/54/94/38/426549438.db2.gz XWFCJVWEDMVNIY-FQEVSTJZSA-N 2 1 314.473 2.762 50 0 DFAAMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@H]1COCCO1 ZINC000215077341 426551448 /nfs/dbraw/zinc/55/14/48/426551448.db2.gz YDFUWNSJQVMTJI-HNNXBMFYSA-N 2 1 324.490 2.581 50 0 DFAAMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@H]1COCCO1 ZINC000215077341 426551457 /nfs/dbraw/zinc/55/14/57/426551457.db2.gz YDFUWNSJQVMTJI-HNNXBMFYSA-N 2 1 324.490 2.581 50 0 DFAAMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](CC3CC3)CC2)cs1 ZINC000225463420 426601140 /nfs/dbraw/zinc/60/11/40/426601140.db2.gz QHXXEVAODVBCIE-UHFFFAOYSA-N 2 1 323.506 2.678 50 0 biogenic,in-vitro DFAAMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C3CCC3)CC2)cs1 ZINC000225462717 426601981 /nfs/dbraw/zinc/60/19/81/426601981.db2.gz PNFYSTGVILPAOX-UHFFFAOYSA-N 2 1 323.506 2.821 50 0 biogenic,in-vitro DFAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175285 /nfs/dbraw/zinc/17/52/85/427175285.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 1 313.445 2.645 50 0 DFAAMP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175292 /nfs/dbraw/zinc/17/52/92/427175292.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 1 313.445 2.645 50 0 DFAAMP C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C1CC[NH2+]CC1)CC2 ZINC000095497033 185374555 /nfs/dbraw/zinc/37/45/55/185374555.db2.gz JMIRQFVJAJOHNM-SFHVURJKSA-N 2 1 313.489 2.692 50 0 DFAAMP CCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370396 398422400 /nfs/dbraw/zinc/42/24/00/398422400.db2.gz QFTVYFGYGIYQGL-DFQSSKMNSA-N 2 1 324.472 2.903 50 0 DFAAMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000091339409 398526003 /nfs/dbraw/zinc/52/60/03/398526003.db2.gz CIPLPEVSPUTTPN-AWEZNQCLSA-N 2 1 310.869 2.971 50 0 DFAAMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH+](C1CCC1)CC2 ZINC000169783584 399001945 /nfs/dbraw/zinc/00/19/45/399001945.db2.gz BDMZIGIQYKOMJZ-GOSISDBHSA-N 2 1 314.473 2.745 50 0 DFAAMP C[NH+]1CCC(N2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078480 182308376 /nfs/dbraw/zinc/30/83/76/182308376.db2.gz WYGYCTLJQPBISB-MOPGFXCFSA-N 2 1 305.510 2.810 50 0 DFAAMP O[C@@]1(C[NH2+]CCCc2ccccc2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855837 184289726 /nfs/dbraw/zinc/28/97/26/184289726.db2.gz JXPSLURLVBNSTI-RTBURBONSA-N 2 1 302.462 2.588 50 0 DFAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000065423109 184342167 /nfs/dbraw/zinc/34/21/67/184342167.db2.gz WZFSACSSRRBZLD-HNNXBMFYSA-N 2 1 303.406 2.722 50 0 DFAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000065423109 184342168 /nfs/dbraw/zinc/34/21/68/184342168.db2.gz WZFSACSSRRBZLD-HNNXBMFYSA-N 2 1 303.406 2.722 50 0 DFAAMP CC[NH+](CC)CCC[NH2+]Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004132820 256516730 /nfs/dbraw/zinc/51/67/30/256516730.db2.gz XNZPDRSDQSJGJD-UHFFFAOYSA-N 2 1 301.434 2.658 50 0 DFAAMP c1cnn(Cc2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC000067713711 425912542 /nfs/dbraw/zinc/91/25/42/425912542.db2.gz HCJCGBONZITFLG-IBGZPJMESA-N 2 1 310.445 2.507 50 0 DFAAMP CC(C)=CC(=O)NC[C@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC000067846941 425914037 /nfs/dbraw/zinc/91/40/37/425914037.db2.gz QSQZXXRGNKPIFC-QGZVFWFLSA-N 2 1 321.509 2.511 50 0 DFAAMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccnc3)c2)CCO1 ZINC000067976644 425915347 /nfs/dbraw/zinc/91/53/47/425915347.db2.gz MQICCHLLUOIFOQ-MRXNPFEDSA-N 2 1 311.429 2.592 50 0 DFAAMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccnc3)c2)CCO1 ZINC000067976644 425915348 /nfs/dbraw/zinc/91/53/48/425915348.db2.gz MQICCHLLUOIFOQ-MRXNPFEDSA-N 2 1 311.429 2.592 50 0 DFAAMP Cc1cccc2nc(C3CC[NH+](C[C@H]4[C@@H]5C[NH2+]C[C@H]45)CC3)[nH]c21 ZINC000102501497 425921802 /nfs/dbraw/zinc/92/18/02/425921802.db2.gz JYQLYFWSOQTODR-ZSHCYNCHSA-N 3 1 310.445 2.516 50 0 DFAAMP C[N@@H+]1CCC[C@@H](C[NH+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973637 425775490 /nfs/dbraw/zinc/77/54/90/425775490.db2.gz LEYJWIRJHIMMAP-LJQANCHMSA-N 2 1 318.505 2.891 50 0 DFAAMP C[N@H+]1CCC[C@@H](C[NH+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973637 425775494 /nfs/dbraw/zinc/77/54/94/425775494.db2.gz LEYJWIRJHIMMAP-LJQANCHMSA-N 2 1 318.505 2.891 50 0 DFAAMP C[NH+]1CCC[C@@H](C[N@H+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973637 425775498 /nfs/dbraw/zinc/77/54/98/425775498.db2.gz LEYJWIRJHIMMAP-LJQANCHMSA-N 2 1 318.505 2.891 50 0 DFAAMP C[NH+]1CCC[C@@H](C[N@@H+](CCc2ccccc2)CC(C)(C)CO)C1 ZINC000014973637 425775501 /nfs/dbraw/zinc/77/55/01/425775501.db2.gz LEYJWIRJHIMMAP-LJQANCHMSA-N 2 1 318.505 2.891 50 0 DFAAMP COC(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000161608211 426032070 /nfs/dbraw/zinc/03/20/70/426032070.db2.gz HLGHUWLTMCHVPI-QZTJIDSGSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)OC ZINC000161608211 426032073 /nfs/dbraw/zinc/03/20/73/426032073.db2.gz HLGHUWLTMCHVPI-QZTJIDSGSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)OC ZINC000161608211 426032075 /nfs/dbraw/zinc/03/20/75/426032075.db2.gz HLGHUWLTMCHVPI-QZTJIDSGSA-N 2 1 318.461 2.592 50 0 DFAAMP COC(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC000161608211 426032079 /nfs/dbraw/zinc/03/20/79/426032079.db2.gz HLGHUWLTMCHVPI-QZTJIDSGSA-N 2 1 318.461 2.592 50 0 DFAAMP OCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095353209 426367263 /nfs/dbraw/zinc/36/72/63/426367263.db2.gz RPDBGXFTFUETRN-SFHVURJKSA-N 2 1 314.473 2.713 50 0 DFAAMP C[C@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096414941 426418388 /nfs/dbraw/zinc/41/83/88/426418388.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000096414941 426418392 /nfs/dbraw/zinc/41/83/92/426418392.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]1C[C@H]([N@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414941 426418395 /nfs/dbraw/zinc/41/83/95/426418395.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@H]1C[C@H]([N@@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414941 426418396 /nfs/dbraw/zinc/41/83/96/426418396.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 2 1 312.461 2.868 50 0 DFAAMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000096439513 426425838 /nfs/dbraw/zinc/42/58/38/426425838.db2.gz QYQJTWSPPULTRS-YOEHRIQHSA-N 2 1 323.506 2.589 50 0 DFAAMP CC[NH+]1CCN(c2ccc(CNc3cccc(C)[nH+]3)cn2)CC1 ZINC000097163258 426455933 /nfs/dbraw/zinc/45/59/33/426455933.db2.gz AJOOCOGQVQWUKL-UHFFFAOYSA-N 2 1 311.433 2.539 50 0 DFAAMP C[C@@H](c1cccc(C[N@@H+](C)CCN2CCCCC2=O)c1)[NH+](C)C ZINC000097819537 426474212 /nfs/dbraw/zinc/47/42/12/426474212.db2.gz LQHRVBKLZODCNV-INIZCTEOSA-N 2 1 317.477 2.754 50 0 DFAAMP Cc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OCCO2 ZINC000215612123 426554382 /nfs/dbraw/zinc/55/43/82/426554382.db2.gz FGDZIWOWQOSEKI-INIZCTEOSA-N 2 1 304.434 2.682 50 0 DFAAMP Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OCCO2 ZINC000215612123 426554388 /nfs/dbraw/zinc/55/43/88/426554388.db2.gz FGDZIWOWQOSEKI-INIZCTEOSA-N 2 1 304.434 2.682 50 0 DFAAMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@@H]1COCCO1 ZINC000215077292 426551408 /nfs/dbraw/zinc/55/14/08/426551408.db2.gz YDFUWNSJQVMTJI-OAHLLOKOSA-N 2 1 324.490 2.581 50 0 DFAAMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@@H]1COCCO1 ZINC000215077292 426551415 /nfs/dbraw/zinc/55/14/15/426551415.db2.gz YDFUWNSJQVMTJI-OAHLLOKOSA-N 2 1 324.490 2.581 50 0 DFAAMP C[N@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cccc2nonc21 ZINC000215599257 426553768 /nfs/dbraw/zinc/55/37/68/426553768.db2.gz JNFJKTIONJTURF-UHFFFAOYSA-N 2 1 308.385 2.800 50 0 DFAAMP C[N@@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1cccc2nonc21 ZINC000215599257 426553771 /nfs/dbraw/zinc/55/37/71/426553771.db2.gz JNFJKTIONJTURF-UHFFFAOYSA-N 2 1 308.385 2.800 50 0 DFAAMP C[NH+](Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cccc2nonc21 ZINC000215599257 426553776 /nfs/dbraw/zinc/55/37/76/426553776.db2.gz JNFJKTIONJTURF-UHFFFAOYSA-N 2 1 308.385 2.800 50 0 DFAAMP C[NH+](Cc1ccc2c(c1)C[N@H+](C)C2)Cc1cccc2nonc21 ZINC000215599257 426553778 /nfs/dbraw/zinc/55/37/78/426553778.db2.gz JNFJKTIONJTURF-UHFFFAOYSA-N 2 1 308.385 2.800 50 0 DFAAMP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000229706227 426637978 /nfs/dbraw/zinc/63/79/78/426637978.db2.gz HERVYXKBLZHRFF-HZPDHXFCSA-N 2 1 321.465 2.511 50 0 DFAAMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000275613922 426880154 /nfs/dbraw/zinc/88/01/54/426880154.db2.gz REFIKHXSUACGSU-WMLDXEAASA-N 2 1 311.429 2.601 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000097103143 323208945 /nfs/dbraw/zinc/20/89/45/323208945.db2.gz STQRGHGRXRYHLJ-VQTJNVASSA-N 2 1 315.505 2.940 50 0 DFAAMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000328631906 231266308 /nfs/dbraw/zinc/26/63/08/231266308.db2.gz KXRXPVSPFOZWSQ-MRXNPFEDSA-N 3 1 316.493 2.832 50 0 DFAAMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000245343898 398381855 /nfs/dbraw/zinc/38/18/55/398381855.db2.gz WJIJBPIVNYPBCD-MSOLQXFVSA-N 2 1 310.445 2.897 50 0 DFAAMP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000095425763 185361668 /nfs/dbraw/zinc/36/16/68/185361668.db2.gz YOHTVFJNNKLZDS-LBPRGKRZSA-N 2 1 300.805 2.537 50 0 DFAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000095425763 185361669 /nfs/dbraw/zinc/36/16/69/185361669.db2.gz YOHTVFJNNKLZDS-LBPRGKRZSA-N 2 1 300.805 2.537 50 0 DFAAMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC1OCCO1 ZINC000252586698 398420296 /nfs/dbraw/zinc/42/02/96/398420296.db2.gz RXUIKAGYYMDHRX-FUHWJXTLSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC1OCCO1 ZINC000252586698 398420297 /nfs/dbraw/zinc/42/02/97/398420297.db2.gz RXUIKAGYYMDHRX-FUHWJXTLSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC1OCCO1 ZINC000252586698 398420299 /nfs/dbraw/zinc/42/02/99/398420299.db2.gz RXUIKAGYYMDHRX-FUHWJXTLSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC1OCCO1 ZINC000252586698 398420304 /nfs/dbraw/zinc/42/03/04/398420304.db2.gz RXUIKAGYYMDHRX-FUHWJXTLSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC1OCCO1 ZINC000252586698 398420306 /nfs/dbraw/zinc/42/03/06/398420306.db2.gz RXUIKAGYYMDHRX-FUHWJXTLSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000091339412 398526598 /nfs/dbraw/zinc/52/65/98/398526598.db2.gz CIPLPEVSPUTTPN-CQSZACIVSA-N 2 1 310.869 2.971 50 0 DFAAMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc4nccn43)C2)[nH+]1 ZINC000179989129 199103121 /nfs/dbraw/zinc/10/31/21/199103121.db2.gz BWMNFNLETLJUOD-INIZCTEOSA-N 2 1 321.428 2.972 50 0 DFAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc4nccn43)C2)[nH+]1 ZINC000179989129 199103123 /nfs/dbraw/zinc/10/31/23/199103123.db2.gz BWMNFNLETLJUOD-INIZCTEOSA-N 2 1 321.428 2.972 50 0 DFAAMP COc1ccccc1CNC1=[NH+]CCC[NH2+]C12CCCCC2 ZINC000064459861 184297439 /nfs/dbraw/zinc/29/74/39/184297439.db2.gz QXSMKJFYBKFQBO-UHFFFAOYSA-N 2 1 301.434 2.880 50 0 DFAAMP COc1cccc(CNC2=[NH+]CCC[NH2+]C23CCCCC3)c1 ZINC000064459865 184297565 /nfs/dbraw/zinc/29/75/65/184297565.db2.gz XLZUGFFESAJQKW-UHFFFAOYSA-N 2 1 301.434 2.880 50 0 DFAAMP c1cn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000245791774 146102868 /nfs/dbraw/zinc/10/28/68/146102868.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000245791774 146102871 /nfs/dbraw/zinc/10/28/71/146102871.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000245791774 146102875 /nfs/dbraw/zinc/10/28/75/146102875.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000245791774 146102880 /nfs/dbraw/zinc/10/28/80/146102880.db2.gz XKMMBROULDIIDK-WOJBJXKFSA-N 2 1 324.472 2.870 50 0 DFAAMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052508 146326930 /nfs/dbraw/zinc/32/69/30/146326930.db2.gz QJXIXKLUFJQZKM-LPHOPBHVSA-N 2 1 312.461 2.809 50 0 DFAAMP CC(C)C[N@@H+]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000067921708 425915023 /nfs/dbraw/zinc/91/50/23/425915023.db2.gz WXNSCYWRYGAADR-INIZCTEOSA-N 2 1 320.481 2.758 50 0 DFAAMP CC(C)C[N@H+]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)CC1 ZINC000067921708 425915024 /nfs/dbraw/zinc/91/50/24/425915024.db2.gz WXNSCYWRYGAADR-INIZCTEOSA-N 2 1 320.481 2.758 50 0 DFAAMP c1ccc(CCC[N@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000106986724 425982136 /nfs/dbraw/zinc/98/21/36/425982136.db2.gz VGRWUKDHVGBNTC-FQEVSTJZSA-N 2 1 315.505 2.627 50 0 DFAAMP COc1ccc2[nH]nc(C[NH+]3CCC([C@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407432 426132216 /nfs/dbraw/zinc/13/22/16/426132216.db2.gz IVKOUPLAWQXJHP-ZDUSSCGKSA-N 2 1 316.449 2.734 50 0 DFAAMP C[C@H](CCC[NH+](C)C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000096013343 426388521 /nfs/dbraw/zinc/38/85/21/426388521.db2.gz FGMNNUMZCHKYSF-AEFFLSMTSA-N 2 1 318.461 2.925 50 0 DFAAMP C[C@H](CCC[NH+](C)C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000096013343 426388524 /nfs/dbraw/zinc/38/85/24/426388524.db2.gz FGMNNUMZCHKYSF-AEFFLSMTSA-N 2 1 318.461 2.925 50 0 DFAAMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000097095603 426448549 /nfs/dbraw/zinc/44/85/49/426448549.db2.gz TZTWOBFAERGGMI-KRWDZBQOSA-N 2 1 306.450 2.533 50 0 DFAAMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000097095603 426448552 /nfs/dbraw/zinc/44/85/52/426448552.db2.gz TZTWOBFAERGGMI-KRWDZBQOSA-N 2 1 306.450 2.533 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1Cn1cccn1 ZINC000215213310 426550684 /nfs/dbraw/zinc/55/06/84/426550684.db2.gz FSPLJWUHXPHVEM-UHFFFAOYSA-N 2 1 323.444 2.730 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1Cn1cccn1 ZINC000215213310 426550687 /nfs/dbraw/zinc/55/06/87/426550687.db2.gz FSPLJWUHXPHVEM-UHFFFAOYSA-N 2 1 323.444 2.730 50 0 DFAAMP C[C@H]1CCC[N@@H+]1Cc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000243932694 426722248 /nfs/dbraw/zinc/72/22/48/426722248.db2.gz BYBIIJYPAZJGDV-KRWDZBQOSA-N 2 1 318.461 2.772 50 0 DFAAMP C[C@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000243932694 426722251 /nfs/dbraw/zinc/72/22/51/426722251.db2.gz BYBIIJYPAZJGDV-KRWDZBQOSA-N 2 1 318.461 2.772 50 0 DFAAMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000253404874 427200911 /nfs/dbraw/zinc/20/09/11/427200911.db2.gz FVGNCZBRCWPFBA-CVEARBPZSA-N 2 1 321.465 2.653 50 0 DFAAMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000253404874 427200916 /nfs/dbraw/zinc/20/09/16/427200916.db2.gz FVGNCZBRCWPFBA-CVEARBPZSA-N 2 1 321.465 2.653 50 0 DFAAMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348305 276201738 /nfs/dbraw/zinc/20/17/38/276201738.db2.gz OYWBNEVZRPDTGU-QUCCMNQESA-N 2 1 315.505 2.720 50 0 DFAAMP C=Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000225583680 186279805 /nfs/dbraw/zinc/27/98/05/186279805.db2.gz ZYXGOHOCXPAYHK-SLFFLAALSA-N 2 1 322.456 2.984 50 0 DFAAMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC1OCCO1 ZINC000124585590 398803509 /nfs/dbraw/zinc/80/35/09/398803509.db2.gz RXUIKAGYYMDHRX-AEFFLSMTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC1OCCO1 ZINC000124585590 398803510 /nfs/dbraw/zinc/80/35/10/398803510.db2.gz RXUIKAGYYMDHRX-AEFFLSMTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC1OCCO1 ZINC000124585590 398803512 /nfs/dbraw/zinc/80/35/12/398803512.db2.gz RXUIKAGYYMDHRX-AEFFLSMTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC1OCCO1 ZINC000124585590 398803513 /nfs/dbraw/zinc/80/35/13/398803513.db2.gz RXUIKAGYYMDHRX-AEFFLSMTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC1OCCO1 ZINC000124585590 398803515 /nfs/dbraw/zinc/80/35/15/398803515.db2.gz RXUIKAGYYMDHRX-AEFFLSMTSA-N 2 1 318.461 2.592 50 0 DFAAMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237673312 202325757 /nfs/dbraw/zinc/32/57/57/202325757.db2.gz BAUNCDIGCVRQCQ-INIZCTEOSA-N 2 1 312.461 2.942 50 0 DFAAMP Cc1ccc(C[NH+]2CCC3(C[N@H+](C4CCC4)C[C@@H]3CO)CC2)o1 ZINC000169783889 399001078 /nfs/dbraw/zinc/00/10/78/399001078.db2.gz CFXFHFXVGZPSEV-MRXNPFEDSA-N 2 1 318.461 2.647 50 0 DFAAMP Clc1nc2ccccn2c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275475230 212358023 /nfs/dbraw/zinc/35/80/23/212358023.db2.gz HZFXNKXAHWLWNQ-LBPRGKRZSA-N 2 1 315.808 2.536 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000262676381 203378582 /nfs/dbraw/zinc/37/85/82/203378582.db2.gz SAQLQJUSLYCNRT-XYVMCAHJSA-N 2 1 317.477 2.511 50 0 DFAAMP C[N@@H+](Cc1ccccc1CNC1=[NH+]CCCN1)C1CCCCC1 ZINC000066244448 184398597 /nfs/dbraw/zinc/39/85/97/184398597.db2.gz FPRDYBLVSGUGAE-UHFFFAOYSA-N 2 1 314.477 2.890 50 0 DFAAMP CC[NH+]1CCC(N2CCC[N@@H+](CC3=CCCCC3)CC2)CC1 ZINC000408521766 257254642 /nfs/dbraw/zinc/25/46/42/257254642.db2.gz FCBOBMHBEIZIOZ-UHFFFAOYSA-N 2 1 305.510 2.979 50 0 DFAAMP Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cc(C[NH+](C)C)cs1 ZINC000216037302 542875133 /nfs/dbraw/zinc/87/51/33/542875133.db2.gz NUKKEESNDJGTRB-UHFFFAOYSA-N 2 1 306.479 2.792 50 0 DFAAMP Cc1cccnc1NCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055182815 425892429 /nfs/dbraw/zinc/89/24/29/425892429.db2.gz IPTPTUWZTLGLHT-DLBZAZTESA-N 2 1 302.466 2.656 50 0 DFAAMP COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000670444643 544041274 /nfs/dbraw/zinc/04/12/74/544041274.db2.gz QGJWLURVMPRGPZ-MRXNPFEDSA-N 2 1 300.406 2.507 50 0 DFAAMP COc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cn1 ZINC000670444643 544041277 /nfs/dbraw/zinc/04/12/77/544041277.db2.gz QGJWLURVMPRGPZ-MRXNPFEDSA-N 2 1 300.406 2.507 50 0 DFAAMP COc1cccc2c1OCC(C[N@H+]1CCC3(C1)CC[NH2+]CC3)=C2 ZINC000067872750 425914271 /nfs/dbraw/zinc/91/42/71/425914271.db2.gz KQQOOBKTBNJHMX-UHFFFAOYSA-N 2 1 314.429 2.547 50 0 DFAAMP CC(C)=CC(=O)NC[C@@H]1CC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC000067846942 425914107 /nfs/dbraw/zinc/91/41/07/425914107.db2.gz QSQZXXRGNKPIFC-KRWDZBQOSA-N 2 1 321.509 2.511 50 0 DFAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000037644477 425848801 /nfs/dbraw/zinc/84/88/01/425848801.db2.gz BABXVLUJKGLDAJ-GFCCVEGCSA-N 2 1 312.841 2.789 50 0 DFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000037644477 425848802 /nfs/dbraw/zinc/84/88/02/425848802.db2.gz BABXVLUJKGLDAJ-GFCCVEGCSA-N 2 1 312.841 2.789 50 0 DFAAMP C[C@@H](C1CC[NH+](Cc2cc(CN(C)C)cs2)CC1)[NH+](C)C ZINC000077356551 426129073 /nfs/dbraw/zinc/12/90/73/426129073.db2.gz LUOCLSXIBBKZRZ-AWEZNQCLSA-N 2 1 309.523 2.972 50 0 DFAAMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000121194392 426323809 /nfs/dbraw/zinc/32/38/09/426323809.db2.gz DOTJVHPYJCOYNK-QRVBRYPASA-N 2 1 318.436 2.742 50 0 DFAAMP C[C@@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096414940 426418113 /nfs/dbraw/zinc/41/81/13/426418113.db2.gz AHDHPUAGZKBXTG-IEBWSBKVSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H]1C[C@H]([NH+](C)CCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000096414940 426418116 /nfs/dbraw/zinc/41/81/16/426418116.db2.gz AHDHPUAGZKBXTG-IEBWSBKVSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H]1C[C@H]([N@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414940 426418119 /nfs/dbraw/zinc/41/81/19/426418119.db2.gz AHDHPUAGZKBXTG-IEBWSBKVSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H]1C[C@H]([N@@H+](C)CCn2cccn2)CC[NH+]1Cc1ccccc1 ZINC000096414940 426418121 /nfs/dbraw/zinc/41/81/21/426418121.db2.gz AHDHPUAGZKBXTG-IEBWSBKVSA-N 2 1 312.461 2.868 50 0 DFAAMP C[C@@H](CCc1cccc(F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000096477634 426433144 /nfs/dbraw/zinc/43/31/44/426433144.db2.gz AHGCTYJDCSOIDZ-HNNXBMFYSA-N 2 1 308.441 2.847 50 0 DFAAMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCSCC1 ZINC000096500765 426436770 /nfs/dbraw/zinc/43/67/70/426436770.db2.gz GQHYJMYCKNFDHZ-SFHVURJKSA-N 2 1 320.502 2.629 50 0 DFAAMP C[C@@H]([NH3+])[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096544710 426439593 /nfs/dbraw/zinc/43/95/93/426439593.db2.gz XSKAVNAYEIVLKN-CRAIPNDOSA-N 2 1 315.486 2.954 50 0 DFAAMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000097142291 426453132 /nfs/dbraw/zinc/45/31/32/426453132.db2.gz QZVYKPAQAZEVJE-INIZCTEOSA-N 2 1 307.507 2.913 50 0 DFAAMP C[N@H+]1CCC2(C1)CC[NH+](C[C@]1(c3ccccc3)CCOC1)CC2 ZINC000215186487 426550764 /nfs/dbraw/zinc/55/07/64/426550764.db2.gz XWFCJVWEDMVNIY-HXUWFJFHSA-N 2 1 314.473 2.762 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000241837547 426718898 /nfs/dbraw/zinc/71/88/98/426718898.db2.gz SKZBBXZWQMHMQU-AOIWGVFYSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000241837547 426718902 /nfs/dbraw/zinc/71/89/02/426718902.db2.gz SKZBBXZWQMHMQU-AOIWGVFYSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000241837547 426718905 /nfs/dbraw/zinc/71/89/05/426718905.db2.gz SKZBBXZWQMHMQU-AOIWGVFYSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000241837547 426718910 /nfs/dbraw/zinc/71/89/10/426718910.db2.gz SKZBBXZWQMHMQU-AOIWGVFYSA-N 2 1 313.445 2.561 50 0 DFAAMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)c(SC)cc1OC ZINC000178974865 426729541 /nfs/dbraw/zinc/72/95/41/426729541.db2.gz QRBZAEVABFFVQP-UHFFFAOYSA-N 2 1 324.490 2.857 50 0 DFAAMP Cn1nccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000253418709 427205671 /nfs/dbraw/zinc/20/56/71/427205671.db2.gz FTOBTNVXRQAKAN-UHFFFAOYSA-N 2 1 324.472 2.908 50 0 DFAAMP CCCC[N@H+]1CCn2nc(C[NH2+]C3Cc4ccccc4C3)cc2C1 ZINC000299775576 427768460 /nfs/dbraw/zinc/76/84/60/427768460.db2.gz DXVSALZIFZFSCQ-UHFFFAOYSA-N 2 1 324.472 2.756 50 0 DFAAMP C[NH+]1CCC([NH2+]C[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000534631898 334307907 /nfs/dbraw/zinc/30/79/07/334307907.db2.gz XYLMJRKXLABDEL-AWEZNQCLSA-N 2 1 307.869 2.850 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522742 185377465 /nfs/dbraw/zinc/37/74/65/185377465.db2.gz VJLYATXQTXJVID-MRXNPFEDSA-N 2 1 313.445 2.926 50 0 DFAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522742 185377466 /nfs/dbraw/zinc/37/74/66/185377466.db2.gz VJLYATXQTXJVID-MRXNPFEDSA-N 2 1 313.445 2.926 50 0 DFAAMP c1cc(C[N@H+](Cc2cncnc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000328623899 398566326 /nfs/dbraw/zinc/56/63/26/398566326.db2.gz CCHSRUNZMGBPPN-MRXNPFEDSA-N 2 1 314.458 2.682 50 0 DFAAMP c1cc(C[N@@H+](Cc2cncnc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000328623899 398566330 /nfs/dbraw/zinc/56/63/30/398566330.db2.gz CCHSRUNZMGBPPN-MRXNPFEDSA-N 2 1 314.458 2.682 50 0 DFAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000072170445 191068339 /nfs/dbraw/zinc/06/83/39/191068339.db2.gz VJJZEAFTQJQKSN-IBGZPJMESA-N 2 1 312.461 2.848 50 0 DFAAMP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000091694256 193092526 /nfs/dbraw/zinc/09/25/26/193092526.db2.gz QCUYYXDJUXAIEF-IAGOWNOFSA-N 2 1 322.518 2.973 50 0 DFAAMP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000091694256 193092528 /nfs/dbraw/zinc/09/25/28/193092528.db2.gz QCUYYXDJUXAIEF-IAGOWNOFSA-N 2 1 322.518 2.973 50 0 DFAAMP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000065382988 184332527 /nfs/dbraw/zinc/33/25/27/184332527.db2.gz RXSCTTVBVZVZEK-LJQANCHMSA-N 2 1 301.478 2.679 50 0 DFAAMP c1ccc(-c2ncc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000067742547 542460966 /nfs/dbraw/zinc/46/09/66/542460966.db2.gz CTMYFBYUGMURKE-UHFFFAOYSA-N 2 1 308.429 2.719 50 0 DFAAMP Clc1ccccc1N1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000426534997 257247531 /nfs/dbraw/zinc/24/75/31/257247531.db2.gz AWCVQQRCYIIDRH-SUMWQHHRSA-N 2 1 305.853 2.603 50 0 DFAAMP Cc1noc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000216080727 542875073 /nfs/dbraw/zinc/87/50/73/542875073.db2.gz MJLOBHSFOQOFSS-UHFFFAOYSA-N 2 1 300.406 2.625 50 0 DFAAMP O[C@H](C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000221932081 542882808 /nfs/dbraw/zinc/88/28/08/542882808.db2.gz MXZCPZKKZPMWIU-IAGOWNOFSA-N 2 1 318.804 2.922 50 0 DFAAMP O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 ZINC000221932081 542882811 /nfs/dbraw/zinc/88/28/11/542882811.db2.gz MXZCPZKKZPMWIU-IAGOWNOFSA-N 2 1 318.804 2.922 50 0 DFAAMP Cc1ccc([C@@H](C(=O)NCC[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000095353584 292190060 /nfs/dbraw/zinc/19/00/60/292190060.db2.gz BIPOUEISGFLYBH-SFHVURJKSA-N 2 1 317.477 2.590 50 0 DFAAMP Cc1nc(-c2ccc(C[NH+]3CCCC3)o2)n(-c2cc[nH+]cc2)n1 ZINC000670450898 544042584 /nfs/dbraw/zinc/04/25/84/544042584.db2.gz CEKKOTAWZSIVGH-UHFFFAOYSA-N 2 1 309.373 2.827 50 0 DFAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc(C(C)C)no2)CC1 ZINC000670452974 544042905 /nfs/dbraw/zinc/04/29/05/544042905.db2.gz COKPXZPSLMWOJH-UHFFFAOYSA-N 2 1 317.437 2.968 50 0 DFAAMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000102374842 425920151 /nfs/dbraw/zinc/92/01/51/425920151.db2.gz SGKSSSWOTMKDFU-ZSOGYDGISA-N 2 1 317.458 2.951 50 0 DFAAMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000000360065 425556176 /nfs/dbraw/zinc/55/61/76/425556176.db2.gz ASIXXJPWMHNLIN-IIAWOOMASA-N 2 1 306.450 2.565 50 0 DFAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000037644478 425848851 /nfs/dbraw/zinc/84/88/51/425848851.db2.gz BABXVLUJKGLDAJ-LBPRGKRZSA-N 2 1 312.841 2.789 50 0 DFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000037644478 425848852 /nfs/dbraw/zinc/84/88/52/425848852.db2.gz BABXVLUJKGLDAJ-LBPRGKRZSA-N 2 1 312.841 2.789 50 0 DFAAMP C[N@@H+](Cc1c(F)cccc1Cl)CC1CC[NH+](CCO)CC1 ZINC000069869718 425962077 /nfs/dbraw/zinc/96/20/77/425962077.db2.gz GVJFDPDJYNBLIJ-UHFFFAOYSA-N 2 1 314.832 2.615 50 0 DFAAMP C[N@H+](Cc1c(F)cccc1Cl)CC1CC[NH+](CCO)CC1 ZINC000069869718 425962081 /nfs/dbraw/zinc/96/20/81/425962081.db2.gz GVJFDPDJYNBLIJ-UHFFFAOYSA-N 2 1 314.832 2.615 50 0 DFAAMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000072308462 426013859 /nfs/dbraw/zinc/01/38/59/426013859.db2.gz HUWWNLRELSNFMS-AWEZNQCLSA-N 2 1 311.420 2.595 50 0 DFAAMP C[C@H](C1CC[NH+](Cc2cc(CN(C)C)cs2)CC1)[NH+](C)C ZINC000077356554 426128969 /nfs/dbraw/zinc/12/89/69/426128969.db2.gz LUOCLSXIBBKZRZ-CQSZACIVSA-N 2 1 309.523 2.972 50 0 DFAAMP COc1ccc(CC[NH2+][C@@H](C)Cn2c[nH+]c(C)c2C)cc1OC ZINC000089547609 426297148 /nfs/dbraw/zinc/29/71/48/426297148.db2.gz QLLGNVKEADMFLQ-ZDUSSCGKSA-N 2 1 317.433 2.738 50 0 DFAAMP C[C@H](CCC[NH+](C)C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000096013345 426388307 /nfs/dbraw/zinc/38/83/07/426388307.db2.gz FGMNNUMZCHKYSF-SJLPKXTDSA-N 2 1 318.461 2.925 50 0 DFAAMP C[C@H](CCC[NH+](C)C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000096013345 426388309 /nfs/dbraw/zinc/38/83/09/426388309.db2.gz FGMNNUMZCHKYSF-SJLPKXTDSA-N 2 1 318.461 2.925 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000096484350 426434313 /nfs/dbraw/zinc/43/43/13/426434313.db2.gz YDMLKFFQWJASGX-ZBYUQBLASA-N 2 1 310.388 2.603 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000096484350 426434316 /nfs/dbraw/zinc/43/43/16/426434316.db2.gz YDMLKFFQWJASGX-ZBYUQBLASA-N 2 1 310.388 2.603 50 0 DFAAMP Cc1cccc2c(C[N@@H+]3CCN4CCN(C)C[C@@H]4C3)cccc12 ZINC000215246214 426551348 /nfs/dbraw/zinc/55/13/48/426551348.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[NH+]3CCN4CC[N@@H+](C)C[C@@H]4C3)cccc12 ZINC000215246214 426551353 /nfs/dbraw/zinc/55/13/53/426551353.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[NH+]3CCN4CC[N@H+](C)C[C@@H]4C3)cccc12 ZINC000215246214 426551360 /nfs/dbraw/zinc/55/13/60/426551360.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[N@H+]3CCN4CC[NH+](C)C[C@@H]4C3)cccc12 ZINC000215246214 426551363 /nfs/dbraw/zinc/55/13/63/426551363.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 2 1 309.457 2.580 50 0 DFAAMP Cc1cccc2c(C[N@@H+]3CCN4CC[NH+](C)C[C@@H]4C3)cccc12 ZINC000215246214 426551369 /nfs/dbraw/zinc/55/13/69/426551369.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 2 1 309.457 2.580 50 0 DFAAMP CC(=O)c1cc(C[NH+]2CCC([C@H](C)[NH+]3CCCC3)CC2)n(C)c1 ZINC000215612859 426552592 /nfs/dbraw/zinc/55/25/92/426552592.db2.gz YKDCRYLQFNCRJU-HNNXBMFYSA-N 2 1 317.477 2.924 50 0 DFAAMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000225514287 426602594 /nfs/dbraw/zinc/60/25/94/426602594.db2.gz JUOPBAQLZQBKFK-OTWHNJEPSA-N 2 1 305.510 2.691 50 0 DFAAMP Cc1cc[nH+]c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000225514194 426604281 /nfs/dbraw/zinc/60/42/81/426604281.db2.gz RCPBIJBIDHMXPO-SFHVURJKSA-N 2 1 311.429 2.959 50 0 DFAAMP Cc1cc[nH+]c(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000225514194 426604286 /nfs/dbraw/zinc/60/42/86/426604286.db2.gz RCPBIJBIDHMXPO-SFHVURJKSA-N 2 1 311.429 2.959 50 0 DFAAMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275535978 426865225 /nfs/dbraw/zinc/86/52/25/426865225.db2.gz MFVQNOPFLORESD-BHIYHBOVSA-N 2 1 324.472 2.556 50 0 DFAAMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000190458879 427114066 /nfs/dbraw/zinc/11/40/66/427114066.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 1 318.490 2.744 50 0 DFAAMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2cccn2C)C1 ZINC000190458879 427114073 /nfs/dbraw/zinc/11/40/73/427114073.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 1 318.490 2.744 50 0 DFAAMP COC1(OC)CC[C@H]([N@@H+](C)Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000725261740 563567872 /nfs/dbraw/zinc/56/78/72/563567872.db2.gz DYGREQAGYOOJFA-IRXDYDNUSA-N 2 1 306.450 2.625 50 0 DFAAMP CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCC12CCC[NH+]1CCC2 ZINC000095522779 185377498 /nfs/dbraw/zinc/37/74/98/185377498.db2.gz TUAKELHQBBRMHJ-OAHLLOKOSA-N 2 1 318.465 2.702 50 0 DFAAMP Clc1c[nH+]ccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000095408563 185356676 /nfs/dbraw/zinc/35/66/76/185356676.db2.gz FNQRVDZMDSSHQH-UHFFFAOYSA-N 2 1 309.841 2.674 50 0 DFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000090050204 398476096 /nfs/dbraw/zinc/47/60/96/398476096.db2.gz KZYVQLMELLATGB-HZPDHXFCSA-N 2 1 314.477 2.826 50 0 DFAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000072140326 191047346 /nfs/dbraw/zinc/04/73/46/191047346.db2.gz VONYHXIBTGKZKM-OAHLLOKOSA-N 2 1 313.449 2.715 50 0 DFAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000072140326 191047349 /nfs/dbraw/zinc/04/73/49/191047349.db2.gz VONYHXIBTGKZKM-OAHLLOKOSA-N 2 1 313.449 2.715 50 0 DFAAMP O[C@@H]1CCC[N@H+](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000072167692 191066424 /nfs/dbraw/zinc/06/64/24/191066424.db2.gz ZSEQAPFQHOIPCZ-QGZVFWFLSA-N 2 1 320.502 2.700 50 0 DFAAMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000097236843 398666776 /nfs/dbraw/zinc/66/67/76/398666776.db2.gz GJYZAZFFKAOFCP-ZDUSSCGKSA-N 2 1 316.474 2.820 50 0 DFAAMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000097236843 398666782 /nfs/dbraw/zinc/66/67/82/398666782.db2.gz GJYZAZFFKAOFCP-ZDUSSCGKSA-N 2 1 316.474 2.820 50 0 DFAAMP O[C@]1(C[NH2+]Cc2csc3ccc(Cl)cc23)CCC[NH2+]C1 ZINC000072424611 191159684 /nfs/dbraw/zinc/15/96/84/191159684.db2.gz ULBFBWTWQICVRD-OAHLLOKOSA-N 2 1 310.850 2.759 50 0 DFAAMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091548205 193071745 /nfs/dbraw/zinc/07/17/45/193071745.db2.gz WTMACMYJNDTVAC-QZTJIDSGSA-N 2 1 320.452 2.660 50 0 DFAAMP Cc1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091548205 193071747 /nfs/dbraw/zinc/07/17/47/193071747.db2.gz WTMACMYJNDTVAC-QZTJIDSGSA-N 2 1 320.452 2.660 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000262676377 203378781 /nfs/dbraw/zinc/37/87/81/203378781.db2.gz SAQLQJUSLYCNRT-LMSBXDPUSA-N 2 1 317.477 2.511 50 0 DFAAMP CC[NH+]1CCN(C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000019888974 182160715 /nfs/dbraw/zinc/16/07/15/182160715.db2.gz ISLQPHQZPOQPRO-UHFFFAOYSA-N 2 1 321.896 2.942 50 0 DFAAMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)CC1 ZINC000020778414 182246609 /nfs/dbraw/zinc/24/66/09/182246609.db2.gz HAVOZBCTAXLPQW-GOSISDBHSA-N 2 1 319.468 2.864 50 0 DFAAMP C[C@H]([NH3+])[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021948422 182299334 /nfs/dbraw/zinc/29/93/34/182299334.db2.gz XSKAVNAYEIVLKN-YJBOKZPZSA-N 2 1 315.486 2.954 50 0 DFAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000058231832 184092229 /nfs/dbraw/zinc/09/22/29/184092229.db2.gz USGRYGAYDGZSOJ-QGZVFWFLSA-N 2 1 318.465 2.566 50 0 DFAAMP c1cnn(Cc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000067956009 425915197 /nfs/dbraw/zinc/91/51/97/425915197.db2.gz SDFUUTJYQNFRSM-LJQANCHMSA-N 2 1 310.445 2.507 50 0 DFAAMP COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C)cc2)CC[C@H]1[NH+](C)C ZINC000014879559 425776749 /nfs/dbraw/zinc/77/67/49/425776749.db2.gz ZNZCCMYARVGVHR-ZWKOTPCHSA-N 2 1 318.461 2.700 50 0 DFAAMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CC[C@H]1[NH+](C)C ZINC000014879559 425776755 /nfs/dbraw/zinc/77/67/55/425776755.db2.gz ZNZCCMYARVGVHR-ZWKOTPCHSA-N 2 1 318.461 2.700 50 0 DFAAMP Cc1cn2c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c(C)nc2s1 ZINC000037648908 425848958 /nfs/dbraw/zinc/84/89/58/425848958.db2.gz ICQFINORJRMQLH-CYBMUJFWSA-N 2 1 304.463 2.587 50 0 DFAAMP Cc1cn2c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c(C)nc2s1 ZINC000037648908 425848959 /nfs/dbraw/zinc/84/89/59/425848959.db2.gz ICQFINORJRMQLH-CYBMUJFWSA-N 2 1 304.463 2.587 50 0 DFAAMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000044533183 425856862 /nfs/dbraw/zinc/85/68/62/425856862.db2.gz GQOYIJSQURYOLJ-GFCCVEGCSA-N 2 1 312.841 2.789 50 0 DFAAMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000044533183 425856863 /nfs/dbraw/zinc/85/68/63/425856863.db2.gz GQOYIJSQURYOLJ-GFCCVEGCSA-N 2 1 312.841 2.789 50 0 DFAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC000071877587 425997868 /nfs/dbraw/zinc/99/78/68/425997868.db2.gz CWJQCQXYAQKYKQ-RCMYXZNBSA-N 2 1 302.462 2.724 50 0 DFAAMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCCCC1 ZINC000089337141 426286657 /nfs/dbraw/zinc/28/66/57/426286657.db2.gz PZEUFPBPEFAYEC-UHFFFAOYSA-N 2 1 321.509 2.774 50 0 DFAAMP CCC[NH+]1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091756619 426342895 /nfs/dbraw/zinc/34/28/95/426342895.db2.gz LIEFPVBFUMFWLS-UHFFFAOYSA-N 2 1 319.497 2.781 50 0 DFAAMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000095984950 426382967 /nfs/dbraw/zinc/38/29/67/426382967.db2.gz SCCJHTIMXXKWPL-DNVCBOLYSA-N 2 1 302.462 2.746 50 0 DFAAMP CCc1nn(C)c(CC)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097045214 426443110 /nfs/dbraw/zinc/44/31/10/426443110.db2.gz VBTSIMMXJGVKJN-UHFFFAOYSA-N 2 1 306.498 2.944 50 0 DFAAMP COc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1C[NH+]1CCCC1 ZINC000215111027 426549118 /nfs/dbraw/zinc/54/91/18/426549118.db2.gz NXFGKGCXBNNOCJ-MRXNPFEDSA-N 2 1 318.461 2.902 50 0 DFAAMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C(C)C)CC2)cs1 ZINC000225463322 426600559 /nfs/dbraw/zinc/60/05/59/426600559.db2.gz GMAUNUPKNBZZRT-UHFFFAOYSA-N 2 1 311.495 2.677 50 0 biogenic,in-vitro DFAAMP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000274153643 426718644 /nfs/dbraw/zinc/71/86/44/426718644.db2.gz ZMEFBGKLOIKYQA-QGZVFWFLSA-N 2 1 312.461 2.568 50 0 DFAAMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000275727112 426905889 /nfs/dbraw/zinc/90/58/89/426905889.db2.gz OSMWPJQSCPFKON-INIZCTEOSA-N 2 1 318.490 2.744 50 0 DFAAMP CCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000253370397 398422457 /nfs/dbraw/zinc/42/24/57/398422457.db2.gz QFTVYFGYGIYQGL-MISYRCLQSA-N 2 1 324.472 2.903 50 0 DFAAMP Cc1cccn2c(C[N@H+](C)C[C@H]3CCc4[nH+]ccn4C3)cnc12 ZINC000328646126 398568930 /nfs/dbraw/zinc/56/89/30/398568930.db2.gz SKAUJKCRFRDWGR-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP Cc1cccn2c(C[N@@H+](C)C[C@H]3CCc4[nH+]ccn4C3)cnc12 ZINC000328646126 398568931 /nfs/dbraw/zinc/56/89/31/398568931.db2.gz SKAUJKCRFRDWGR-OAHLLOKOSA-N 2 1 309.417 2.534 50 0 DFAAMP CCCn1ccnc1C[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072144734 191051981 /nfs/dbraw/zinc/05/19/81/191051981.db2.gz RHZIQYREEUUQJO-UHFFFAOYSA-N 2 1 313.449 2.709 50 0 DFAAMP CCCn1ccnc1C[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072144734 191051982 /nfs/dbraw/zinc/05/19/82/191051982.db2.gz RHZIQYREEUUQJO-UHFFFAOYSA-N 2 1 313.449 2.709 50 0 DFAAMP CC[C@H]1CN(Cc2[nH+]c(C)n3ccccc23)CC[N@H+]1C(C)C ZINC000072164033 191063801 /nfs/dbraw/zinc/06/38/01/191063801.db2.gz MOKMKLQVPFIGCW-INIZCTEOSA-N 2 1 300.450 2.947 50 0 DFAAMP CC[N@@H+](C)C1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CCCCC1 ZINC000244774027 202495350 /nfs/dbraw/zinc/49/53/50/202495350.db2.gz PMRNFUVDZZGIJF-GASCZTMLSA-N 2 1 317.481 2.748 50 0 DFAAMP CCc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092028145 193143670 /nfs/dbraw/zinc/14/36/70/193143670.db2.gz WTMCMAIZXNQRDB-WOJBJXKFSA-N 2 1 316.489 2.775 50 0 DFAAMP [NH3+]CC[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000039960872 183025371 /nfs/dbraw/zinc/02/53/71/183025371.db2.gz OQFWGVRRNAAKLS-UHFFFAOYSA-N 2 1 314.429 2.973 50 0 DFAAMP c1cncc(OCCC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000065406952 184338837 /nfs/dbraw/zinc/33/88/37/184338837.db2.gz AKRVHJUDGZZINK-FUHWJXTLSA-N 2 1 303.450 2.705 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000408525476 257254346 /nfs/dbraw/zinc/25/43/46/257254346.db2.gz BVOLCGBVDLOIJH-NJAFHUGGSA-N 2 1 317.477 2.655 50 0 DFAAMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1C[NH+](C)C ZINC000670447556 544041753 /nfs/dbraw/zinc/04/17/53/544041753.db2.gz QDDHPFLPOYRGMG-MRXNPFEDSA-N 2 1 306.450 2.615 50 0 DFAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000102842851 425929245 /nfs/dbraw/zinc/92/92/45/425929245.db2.gz JEFBUPHTVTWUCG-PMOLBWCYSA-N 2 1 324.472 2.703 50 0 DFAAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000102842851 425929248 /nfs/dbraw/zinc/92/92/48/425929248.db2.gz JEFBUPHTVTWUCG-PMOLBWCYSA-N 2 1 324.472 2.703 50 0 DFAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C=C(C)C ZINC000011873398 425713354 /nfs/dbraw/zinc/71/33/54/425713354.db2.gz MHTCGBJVSJQYJP-UHFFFAOYSA-N 2 1 321.509 2.607 50 0 DFAAMP CC[N@@H+](CCO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011817885 425714405 /nfs/dbraw/zinc/71/44/05/425714405.db2.gz LBLUBTPEEZOCSS-UHFFFAOYSA-N 2 1 304.478 2.564 50 0 DFAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccon3)CC2)o1 ZINC000015064771 425778639 /nfs/dbraw/zinc/77/86/39/425778639.db2.gz KZTIRIXHHMNTHI-UHFFFAOYSA-N 2 1 303.406 2.920 50 0 DFAAMP C/C=C(\C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](CCC(=O)OC)C1 ZINC000020109944 425792562 /nfs/dbraw/zinc/79/25/62/425792562.db2.gz CCCDXKPGWQWNBC-IVAOMHDMSA-N 2 1 308.466 2.692 50 0 DFAAMP C/C=C(\C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H](CCC(=O)OC)C1 ZINC000020109944 425792567 /nfs/dbraw/zinc/79/25/67/425792567.db2.gz CCCDXKPGWQWNBC-IVAOMHDMSA-N 2 1 308.466 2.692 50 0 DFAAMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1OC ZINC000044533185 425856872 /nfs/dbraw/zinc/85/68/72/425856872.db2.gz GQOYIJSQURYOLJ-LBPRGKRZSA-N 2 1 312.841 2.789 50 0 DFAAMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000044533185 425856873 /nfs/dbraw/zinc/85/68/73/425856873.db2.gz GQOYIJSQURYOLJ-LBPRGKRZSA-N 2 1 312.841 2.789 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000107525360 425994072 /nfs/dbraw/zinc/99/40/72/425994072.db2.gz NHSWTTFEGRSKGE-HXUWFJFHSA-N 2 1 315.505 2.625 50 0 DFAAMP c1cn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000131745791 426165772 /nfs/dbraw/zinc/16/57/72/426165772.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000131745791 426165774 /nfs/dbraw/zinc/16/57/74/426165774.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000131745791 426165778 /nfs/dbraw/zinc/16/57/78/426165778.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000131745791 426165781 /nfs/dbraw/zinc/16/57/81/426165781.db2.gz XKMMBROULDIIDK-PMACEKPBSA-N 2 1 324.472 2.870 50 0 DFAAMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nccs3)CC2)C[C@H](C)O1 ZINC000135130843 426205881 /nfs/dbraw/zinc/20/58/81/426205881.db2.gz DVYLMZRWQRGPKM-GJZGRUSLSA-N 2 1 323.506 2.854 50 0 DFAAMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000089375353 426288482 /nfs/dbraw/zinc/28/84/82/426288482.db2.gz JWMWQGYAQKJOQN-SFHVURJKSA-N 2 1 321.509 2.632 50 0 DFAAMP CCCn1c2ccccc2nc1CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000121204032 426324475 /nfs/dbraw/zinc/32/44/75/426324475.db2.gz XVKTUDLZSFDRCY-HNNXBMFYSA-N 2 1 300.450 2.878 50 0 DFAAMP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000096439514 426425883 /nfs/dbraw/zinc/42/58/83/426425883.db2.gz QYQJTWSPPULTRS-PBHICJAKSA-N 2 1 323.506 2.589 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000241837548 426719083 /nfs/dbraw/zinc/71/90/83/426719083.db2.gz SKZBBXZWQMHMQU-LMMKCTJWSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000241837548 426719087 /nfs/dbraw/zinc/71/90/87/426719087.db2.gz SKZBBXZWQMHMQU-LMMKCTJWSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000241837548 426719091 /nfs/dbraw/zinc/71/90/91/426719091.db2.gz SKZBBXZWQMHMQU-LMMKCTJWSA-N 2 1 313.445 2.561 50 0 DFAAMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000241837548 426719094 /nfs/dbraw/zinc/71/90/94/426719094.db2.gz SKZBBXZWQMHMQU-LMMKCTJWSA-N 2 1 313.445 2.561 50 0 DFAAMP CCC[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246045220 426793185 /nfs/dbraw/zinc/79/31/85/426793185.db2.gz XOCVICUQYYPUGB-WBVHZDCISA-N 2 1 309.498 2.617 50 0 DFAAMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000253425757 427207443 /nfs/dbraw/zinc/20/74/43/427207443.db2.gz HDTUJELYLUPJEM-QFBILLFUSA-N 2 1 319.468 2.592 50 0 DFAAMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000253425757 427207446 /nfs/dbraw/zinc/20/74/46/427207446.db2.gz HDTUJELYLUPJEM-QFBILLFUSA-N 2 1 319.468 2.592 50 0 DFAAMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472785 290184784 /nfs/dbraw/zinc/18/47/84/290184784.db2.gz NMJZPIGGSODBMN-LJQANCHMSA-N 3 1 305.510 2.717 50 0 DFAAMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472785 290184786 /nfs/dbraw/zinc/18/47/86/290184786.db2.gz NMJZPIGGSODBMN-LJQANCHMSA-N 3 1 305.510 2.717 50 0 DFAAMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472785 290184787 /nfs/dbraw/zinc/18/47/87/290184787.db2.gz NMJZPIGGSODBMN-LJQANCHMSA-N 3 1 305.510 2.717 50 0 DFAAMP CN1CC[C@@]2(C1)CCC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472785 290184789 /nfs/dbraw/zinc/18/47/89/290184789.db2.gz NMJZPIGGSODBMN-LJQANCHMSA-N 2 1 305.510 2.717 50 0 DFAAMP CN1CC[C@@]2(C1)CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472785 290184790 /nfs/dbraw/zinc/18/47/90/290184790.db2.gz NMJZPIGGSODBMN-LJQANCHMSA-N 2 1 305.510 2.717 50 0 DFAAMP c1cn(CC2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC000534657589 334314573 /nfs/dbraw/zinc/31/45/73/334314573.db2.gz XBAXCBVIGSRUGW-UHFFFAOYSA-N 2 1 324.472 2.918 50 0 DFAAMP Cc1ccc(O)c(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299738644 534195253 /nfs/dbraw/zinc/19/52/53/534195253.db2.gz DLPDRQYYRLHIFA-AWEZNQCLSA-N 2 1 312.417 2.618 50 0 DFAAMP Cc1ccc(O)c(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299738644 534195255 /nfs/dbraw/zinc/19/52/55/534195255.db2.gz DLPDRQYYRLHIFA-AWEZNQCLSA-N 2 1 312.417 2.618 50 0 DFAAMP [NH3+]CC[NH2+]CCCCOc1ccc(Br)cc1Cl ZINC000039960862 398560425 /nfs/dbraw/zinc/56/04/25/398560425.db2.gz LIRFTOWZFMYWCO-UHFFFAOYSA-N 2 1 321.646 2.810 50 0 DFAAMP C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072151882 191055665 /nfs/dbraw/zinc/05/56/65/191055665.db2.gz MWVXGICRLZBTAL-SJLPKXTDSA-N 2 1 302.466 2.777 50 0 DFAAMP Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000091493661 193064472 /nfs/dbraw/zinc/06/44/72/193064472.db2.gz SYKYRGGRBJLJIX-QZTJIDSGSA-N 2 1 320.452 2.660 50 0 DFAAMP Cc1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000091493661 193064474 /nfs/dbraw/zinc/06/44/74/193064474.db2.gz SYKYRGGRBJLJIX-QZTJIDSGSA-N 2 1 320.452 2.660 50 0 DFAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000040719655 183123742 /nfs/dbraw/zinc/12/37/42/183123742.db2.gz TVUFWKNMNUZEOG-UHFFFAOYSA-N 2 1 315.255 2.935 50 0 DFAAMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000060161738 184145210 /nfs/dbraw/zinc/14/52/10/184145210.db2.gz WLALDPZXIJGDFL-QGZVFWFLSA-N 2 1 305.466 2.526 50 0 DFAAMP C[C@@H]([NH2+]Cc1ccc(CN(C)C)c(F)c1)C1CC[NH+](C)CC1 ZINC000090920006 542538495 /nfs/dbraw/zinc/53/84/95/542538495.db2.gz NDDCGECWZWRTEK-CQSZACIVSA-N 2 1 307.457 2.707 50 0 DFAAMP c1cncc(NCCC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000055153257 425892471 /nfs/dbraw/zinc/89/24/71/425892471.db2.gz MARWNKYJWBYGOO-FUHWJXTLSA-N 2 1 302.466 2.738 50 0 DFAAMP OC1(C[NH+]2CCCC2)CC[NH+](Cc2sccc2Cl)CC1 ZINC000670468769 544044778 /nfs/dbraw/zinc/04/47/78/544044778.db2.gz XYGSSZWUPAMJTB-UHFFFAOYSA-N 2 1 314.882 2.824 50 0 DFAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1[nH]nc2c1CCCCC2 ZINC000067433628 425910419 /nfs/dbraw/zinc/91/04/19/425910419.db2.gz WREIPLOPFUQSKZ-CYBMUJFWSA-N 2 1 301.438 2.616 50 0 DFAAMP COc1cccc(-c2ncc(C[NH2+]C3CC[NH2+]CC3)s2)c1 ZINC000067920143 425914721 /nfs/dbraw/zinc/91/47/21/425914721.db2.gz DJMUFNZFQGGPTO-UHFFFAOYSA-N 2 1 303.431 2.660 50 0 DFAAMP C[N@H+]1CCC[C@H]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000000757254 425571211 /nfs/dbraw/zinc/57/12/11/425571211.db2.gz MWRGHCWYMGERLO-FQEVSTJZSA-N 2 1 315.505 2.767 50 0 DFAAMP c1csc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000035054463 425843006 /nfs/dbraw/zinc/84/30/06/425843006.db2.gz ZYGKPQIDXIGKCO-UHFFFAOYSA-N 2 1 302.447 2.855 50 0 DFAAMP Cc1cccc(NC2CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)[nH+]1 ZINC000095987366 426384224 /nfs/dbraw/zinc/38/42/24/426384224.db2.gz XZKASDNNMMHGNO-AZUAARDMSA-N 2 1 323.440 2.925 50 0 DFAAMP O[C@H](CCc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000096013708 426387895 /nfs/dbraw/zinc/38/78/95/426387895.db2.gz INOLIDDTHYDPDM-LJQANCHMSA-N 2 1 302.462 2.540 50 0 DFAAMP Cc1cc2cc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc2cc1C ZINC000096453973 426430202 /nfs/dbraw/zinc/43/02/02/426430202.db2.gz LYTFXQJSHKIHQV-INIZCTEOSA-N 2 1 315.461 2.775 50 0 DFAAMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCSCC1 ZINC000096500764 426437328 /nfs/dbraw/zinc/43/73/28/426437328.db2.gz GQHYJMYCKNFDHZ-GOSISDBHSA-N 2 1 320.502 2.629 50 0 DFAAMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000097160169 426455235 /nfs/dbraw/zinc/45/52/35/426455235.db2.gz VEVXPYYBQYABPY-ZDUSSCGKSA-N 2 1 304.463 2.960 50 0 DFAAMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](O)(CN(C)C)C3)cc2)o1 ZINC000216282725 426556918 /nfs/dbraw/zinc/55/69/18/426556918.db2.gz WCVNBWKXCNQMIA-LJQANCHMSA-N 2 1 314.429 2.753 50 0 DFAAMP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C[NH+](C)C)C3)cc2)o1 ZINC000216282725 426556922 /nfs/dbraw/zinc/55/69/22/426556922.db2.gz WCVNBWKXCNQMIA-LJQANCHMSA-N 2 1 314.429 2.753 50 0 DFAAMP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](O)(C[NH+](C)C)C3)cc2)o1 ZINC000216282725 426556928 /nfs/dbraw/zinc/55/69/28/426556928.db2.gz WCVNBWKXCNQMIA-LJQANCHMSA-N 2 1 314.429 2.753 50 0 DFAAMP C[N@@H+](Cc1ccc(CC[NH3+])cc1)Cc1ccc2nsnc2c1 ZINC000216432880 426559555 /nfs/dbraw/zinc/55/95/55/426559555.db2.gz STPHZJLABDFLGP-UHFFFAOYSA-N 2 1 312.442 2.825 50 0 DFAAMP COc1cccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000244633147 426724386 /nfs/dbraw/zinc/72/43/86/426724386.db2.gz FXNCBTFVISPCAU-UHFFFAOYSA-N 2 1 318.461 2.930 50 0 DFAAMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275535992 426864997 /nfs/dbraw/zinc/86/49/97/426864997.db2.gz MFVQNOPFLORESD-QRQLOZEOSA-N 2 1 324.472 2.556 50 0 DFAAMP Cn1nccc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275698258 426899559 /nfs/dbraw/zinc/89/95/59/426899559.db2.gz NGZUNUPDWHDWGT-MRXNPFEDSA-N 2 1 316.474 2.626 50 0 DFAAMP Cn1nccc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275698258 426899569 /nfs/dbraw/zinc/89/95/69/426899569.db2.gz NGZUNUPDWHDWGT-MRXNPFEDSA-N 2 1 316.474 2.626 50 0 DFAAMP [NH3+][C@H]1C[C@@H](c2nnc(C[N@@H+]3CCC4(CCCC4)C3)n2C2CC2)C1 ZINC000252503766 427181451 /nfs/dbraw/zinc/18/14/51/427181451.db2.gz VGUHEDHEDIZPSP-OKILXGFUSA-N 2 1 315.465 2.584 50 0 DFAAMP [NH3+][C@H]1C[C@@H](c2nnc(C[N@H+]3CCC4(CCCC4)C3)n2C2CC2)C1 ZINC000252503766 427181455 /nfs/dbraw/zinc/18/14/55/427181455.db2.gz VGUHEDHEDIZPSP-OKILXGFUSA-N 2 1 315.465 2.584 50 0 DFAAMP Cn1nccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293490252 427339733 /nfs/dbraw/zinc/33/97/33/427339733.db2.gz YZGDAPPWXLXIQA-UHFFFAOYSA-N 2 1 324.472 2.908 50 0 DFAAMP c1ccc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CC[NH2+]CC2)cc1 ZINC000091664990 275066372 /nfs/dbraw/zinc/06/63/72/275066372.db2.gz VKWJVBIJSHEJLS-KRWDZBQOSA-N 2 1 308.429 2.863 50 0 DFAAMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000069538236 279045537 /nfs/dbraw/zinc/04/55/37/279045537.db2.gz XMLCYXIZXQJSCG-WMZOPIPTSA-N 2 1 317.477 2.526 50 0 DFAAMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000069538236 279045538 /nfs/dbraw/zinc/04/55/38/279045538.db2.gz XMLCYXIZXQJSCG-WMZOPIPTSA-N 2 1 317.477 2.526 50 0 DFAAMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000069538236 279045539 /nfs/dbraw/zinc/04/55/39/279045539.db2.gz XMLCYXIZXQJSCG-WMZOPIPTSA-N 2 1 317.477 2.526 50 0 DFAAMP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012706835 279091383 /nfs/dbraw/zinc/09/13/83/279091383.db2.gz YIDLLDQUTVQDIC-INIZCTEOSA-N 2 1 309.498 2.632 50 0 DFAAMP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)CCCCCC1 ZINC000534645441 334306955 /nfs/dbraw/zinc/30/69/55/334306955.db2.gz UTGGFHPRGYHFSA-KRWDZBQOSA-N 2 1 323.525 2.879 50 0 DFAAMP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299738645 534197102 /nfs/dbraw/zinc/19/71/02/534197102.db2.gz DLPDRQYYRLHIFA-CQSZACIVSA-N 2 1 312.417 2.618 50 0 DFAAMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299738645 534197108 /nfs/dbraw/zinc/19/71/08/534197108.db2.gz DLPDRQYYRLHIFA-CQSZACIVSA-N 2 1 312.417 2.618 50 0 DFAAMP COC1(OC)CC[C@H]([N@@H+](C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000725261741 563567812 /nfs/dbraw/zinc/56/78/12/563567812.db2.gz DYGREQAGYOOJFA-SJORKVTESA-N 2 1 306.450 2.625 50 0 DFAAMP Cc1cccc(N2CCC([NH2+][C@@H]3CN(C(C)C)C[C@H]3C)CC2)[nH+]1 ZINC000230163530 398356661 /nfs/dbraw/zinc/35/66/61/398356661.db2.gz IIWXNRHDSOHGAU-CRAIPNDOSA-N 2 1 316.493 2.677 50 0 DFAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000072140327 191048159 /nfs/dbraw/zinc/04/81/59/191048159.db2.gz VONYHXIBTGKZKM-HNNXBMFYSA-N 2 1 313.449 2.715 50 0 DFAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000072140327 191048161 /nfs/dbraw/zinc/04/81/61/191048161.db2.gz VONYHXIBTGKZKM-HNNXBMFYSA-N 2 1 313.449 2.715 50 0 DFAAMP C[N@@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@]1(c2ccccc2)CC1(C)C ZINC000072121558 191039817 /nfs/dbraw/zinc/03/98/17/191039817.db2.gz OMFWABXWSYDDCQ-FQEVSTJZSA-N 2 1 324.472 2.786 50 0 DFAAMP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151033 191055522 /nfs/dbraw/zinc/05/55/22/191055522.db2.gz OGVNLJAHNQVZND-IBGZPJMESA-N 3 1 303.494 2.740 50 0 DFAAMP CC(C)[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151033 191055526 /nfs/dbraw/zinc/05/55/26/191055526.db2.gz OGVNLJAHNQVZND-IBGZPJMESA-N 3 1 303.494 2.740 50 0 DFAAMP CC(C)[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151033 191055528 /nfs/dbraw/zinc/05/55/28/191055528.db2.gz OGVNLJAHNQVZND-IBGZPJMESA-N 3 1 303.494 2.740 50 0 DFAAMP CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151033 191055532 /nfs/dbraw/zinc/05/55/32/191055532.db2.gz OGVNLJAHNQVZND-IBGZPJMESA-N 2 1 303.494 2.740 50 0 DFAAMP CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151033 191055534 /nfs/dbraw/zinc/05/55/34/191055534.db2.gz OGVNLJAHNQVZND-IBGZPJMESA-N 2 1 303.494 2.740 50 0 DFAAMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436122 191165940 /nfs/dbraw/zinc/16/59/40/191165940.db2.gz MDYVZLBMUNHGNF-HXUWFJFHSA-N 2 1 316.489 2.918 50 0 DFAAMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436122 191165943 /nfs/dbraw/zinc/16/59/43/191165943.db2.gz MDYVZLBMUNHGNF-HXUWFJFHSA-N 2 1 316.489 2.918 50 0 DFAAMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436122 191165946 /nfs/dbraw/zinc/16/59/46/191165946.db2.gz MDYVZLBMUNHGNF-HXUWFJFHSA-N 2 1 316.489 2.918 50 0 DFAAMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472786 283165356 /nfs/dbraw/zinc/16/53/56/283165356.db2.gz NMJZPIGGSODBMN-IBGZPJMESA-N 3 1 305.510 2.717 50 0 DFAAMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472786 283165363 /nfs/dbraw/zinc/16/53/63/283165363.db2.gz NMJZPIGGSODBMN-IBGZPJMESA-N 3 1 305.510 2.717 50 0 DFAAMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472786 283165365 /nfs/dbraw/zinc/16/53/65/283165365.db2.gz NMJZPIGGSODBMN-IBGZPJMESA-N 3 1 305.510 2.717 50 0 DFAAMP CN1CC[C@]2(C1)CCC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472786 283165368 /nfs/dbraw/zinc/16/53/68/283165368.db2.gz NMJZPIGGSODBMN-IBGZPJMESA-N 2 1 305.510 2.717 50 0 DFAAMP CN1CC[C@]2(C1)CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472786 283165373 /nfs/dbraw/zinc/16/53/73/283165373.db2.gz NMJZPIGGSODBMN-IBGZPJMESA-N 2 1 305.510 2.717 50 0 DFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414201 199155903 /nfs/dbraw/zinc/15/59/03/199155903.db2.gz ZTOLSCYQHXNOCL-RVKKMQEKSA-N 2 1 312.461 2.905 50 0 DFAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(OCc2ccccn2)CC1 ZINC000244811720 202499566 /nfs/dbraw/zinc/49/95/66/202499566.db2.gz SJXBPLQVJAQYPV-UHFFFAOYSA-N 2 1 314.433 2.658 50 0 DFAAMP COC[C@@H]1C[N@@H+](Cc2c[nH]c3ccccc23)CC12CC[NH2+]CC2 ZINC000169789806 399001126 /nfs/dbraw/zinc/00/11/26/399001126.db2.gz ACUOTYDIHGLAFI-INIZCTEOSA-N 2 1 313.445 2.616 50 0 DFAAMP COC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CC12CC[NH2+]CC2 ZINC000169789811 399001473 /nfs/dbraw/zinc/00/14/73/399001473.db2.gz KTYVGSWGYCXTBF-MRXNPFEDSA-N 2 1 313.445 2.616 50 0 DFAAMP Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(NCc3ccco3)c12 ZINC000006669863 181368781 /nfs/dbraw/zinc/36/87/81/181368781.db2.gz UPDWSUULIDOEIZ-UHFFFAOYSA-N 2 1 313.405 2.815 50 0 DFAAMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000006834823 181397877 /nfs/dbraw/zinc/39/78/77/181397877.db2.gz VKSVGJLUHRQJME-KRWDZBQOSA-N 2 1 320.477 2.624 50 0 DFAAMP Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091365260 193046539 /nfs/dbraw/zinc/04/65/39/193046539.db2.gz WLJZMIXGECUOSY-RTBURBONSA-N 2 1 302.462 2.521 50 0 DFAAMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000060161733 184144902 /nfs/dbraw/zinc/14/49/02/184144902.db2.gz WLALDPZXIJGDFL-KRWDZBQOSA-N 2 1 305.466 2.526 50 0 DFAAMP Cc1ccc(NC(=O)C[N@@H+](C)CCCc2[nH+]ccn2C)cc1C ZINC000065461964 184348902 /nfs/dbraw/zinc/34/89/02/184348902.db2.gz KGPPPACAJUFOLO-UHFFFAOYSA-N 2 1 314.433 2.540 50 0 DFAAMP Cc1ccc(NC(=O)C[N@H+](C)CCCc2[nH+]ccn2C)cc1C ZINC000065461964 184348903 /nfs/dbraw/zinc/34/89/03/184348903.db2.gz KGPPPACAJUFOLO-UHFFFAOYSA-N 2 1 314.433 2.540 50 0 DFAAMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3sccc3C2)CC1 ZINC000191402779 256592308 /nfs/dbraw/zinc/59/23/08/256592308.db2.gz ZECDSLHIODAWPF-UHFFFAOYSA-N 2 1 307.507 2.522 50 0 DFAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000236905211 257239098 /nfs/dbraw/zinc/23/90/98/257239098.db2.gz BVOLCGBVDLOIJH-JQHSSLGASA-N 2 1 317.477 2.655 50 0 DFAAMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628444 184828307 /nfs/dbraw/zinc/82/83/07/184828307.db2.gz ZFKUTTWFQQJXMI-ZDUSSCGKSA-N 2 1 312.404 2.662 50 0 DFAAMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCO1 ZINC000121722687 195334512 /nfs/dbraw/zinc/33/45/12/195334512.db2.gz LAUSQEGNZKVTTA-QFBILLFUSA-N 2 1 302.462 2.851 50 0 DFAAMP CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2C[NH+](C)C)cn1 ZINC000216085982 542874316 /nfs/dbraw/zinc/87/43/16/542874316.db2.gz CMIMBLRHEMPKKM-UHFFFAOYSA-N 2 1 312.461 2.841 50 0 DFAAMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052511 146326994 /nfs/dbraw/zinc/32/69/94/146326994.db2.gz QJXIXKLUFJQZKM-VQIMIIECSA-N 2 1 312.461 2.809 50 0 DFAAMP Cc1cccc(N2CCC([NH2+]C[C@H]3CC[N@H+](C)C3)CC2)c1C ZINC000065433775 425902686 /nfs/dbraw/zinc/90/26/86/425902686.db2.gz LZOUWHLTCFHKIR-QGZVFWFLSA-N 2 1 301.478 2.814 50 0 DFAAMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(C)ccc2[nH]c1=O ZINC000012706429 425735098 /nfs/dbraw/zinc/73/50/98/425735098.db2.gz ZFBZPXWMWUYDJN-UHFFFAOYSA-N 2 1 301.434 2.658 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000270651054 268195822 /nfs/dbraw/zinc/19/58/22/268195822.db2.gz ORJYWTZANIQZOY-INIZCTEOSA-N 2 1 324.432 2.504 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000270651054 268195826 /nfs/dbraw/zinc/19/58/26/268195826.db2.gz ORJYWTZANIQZOY-INIZCTEOSA-N 2 1 324.432 2.504 50 0 DFAAMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000108464618 426017629 /nfs/dbraw/zinc/01/76/29/426017629.db2.gz NOBONNGYUUDDDU-VYJAJWGXSA-N 2 1 314.473 2.648 50 0 DFAAMP OCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095353208 426366215 /nfs/dbraw/zinc/36/62/15/426366215.db2.gz RPDBGXFTFUETRN-GOSISDBHSA-N 2 1 314.473 2.713 50 0 DFAAMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491284 426435354 /nfs/dbraw/zinc/43/53/54/426435354.db2.gz IDXPHEUFTGJFRC-GDBMZVCRSA-N 2 1 317.433 2.778 50 0 DFAAMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160171 426454898 /nfs/dbraw/zinc/45/48/98/426454898.db2.gz RFMDXJAJCBSRIP-AWEZNQCLSA-N 2 1 302.422 2.800 50 0 DFAAMP [NH3+][C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000097660460 426472468 /nfs/dbraw/zinc/47/24/68/426472468.db2.gz UYPVIXSLUMCFDH-CQSZACIVSA-N 2 1 304.825 2.839 50 0 DFAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000097660460 426472473 /nfs/dbraw/zinc/47/24/73/426472473.db2.gz UYPVIXSLUMCFDH-CQSZACIVSA-N 2 1 304.825 2.839 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000244715790 426726205 /nfs/dbraw/zinc/72/62/05/426726205.db2.gz LCIBHCPCYOGFJI-UHFFFAOYSA-N 2 1 301.419 2.718 50 0 DFAAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc2nsnc2c1 ZINC000244715790 426726209 /nfs/dbraw/zinc/72/62/09/426726209.db2.gz LCIBHCPCYOGFJI-UHFFFAOYSA-N 2 1 301.419 2.718 50 0 DFAAMP COc1ccc2oc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc2c1 ZINC000275438645 426865620 /nfs/dbraw/zinc/86/56/20/426865620.db2.gz FTSNJKCRLVVOMO-ZDUSSCGKSA-N 2 1 311.385 2.990 50 0 DFAAMP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000253404894 427202954 /nfs/dbraw/zinc/20/29/54/427202954.db2.gz FVGNCZBRCWPFBA-HZPDHXFCSA-N 2 1 321.465 2.653 50 0 DFAAMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000253404894 427202957 /nfs/dbraw/zinc/20/29/57/427202957.db2.gz FVGNCZBRCWPFBA-HZPDHXFCSA-N 2 1 321.465 2.653 50 0 DFAAMP Cc1ccccc1C1CC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000253429135 427208127 /nfs/dbraw/zinc/20/81/27/427208127.db2.gz SGZRYITUJAPKKO-UHFFFAOYSA-N 2 1 315.505 2.857 50 0 DFAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccccn2)C1 ZINC000095526848 185378106 /nfs/dbraw/zinc/37/81/06/185378106.db2.gz JFSSYYHJZDLLRN-MRXNPFEDSA-N 2 1 313.449 2.614 50 0 DFAAMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccn23)[C@@H]1c1cccnc1 ZINC000328633454 529793948 /nfs/dbraw/zinc/79/39/48/529793948.db2.gz MAXOSHSXNYXQIR-LPHOPBHVSA-N 2 1 321.428 2.512 50 0 DFAAMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccccn23)[C@@H]1c1cccnc1 ZINC000328633454 529793949 /nfs/dbraw/zinc/79/39/49/529793949.db2.gz MAXOSHSXNYXQIR-LPHOPBHVSA-N 2 1 321.428 2.512 50 0 DFAAMP Cc1cccn2c(C[NH2+]C3CC[NH+](CC(C)C)CC3)cnc12 ZINC000067974312 190740889 /nfs/dbraw/zinc/74/08/89/190740889.db2.gz GDQKWLKNAKLAGQ-UHFFFAOYSA-N 2 1 300.450 2.853 50 0 DFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414168 199155136 /nfs/dbraw/zinc/15/51/36/199155136.db2.gz ZTOLSCYQHXNOCL-VKJFTORMSA-N 2 1 312.461 2.905 50 0 DFAAMP Cc1cc(NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091474426 193061439 /nfs/dbraw/zinc/06/14/39/193061439.db2.gz UKIUDWJCQLIJMK-MRXNPFEDSA-N 2 1 311.433 2.691 50 0 DFAAMP CC[NH+]1CCC([N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091645010 193084444 /nfs/dbraw/zinc/08/44/44/193084444.db2.gz ASXDGIQCOGDUMV-SFHVURJKSA-N 2 1 302.462 2.528 50 0 DFAAMP CC[NH+]1CCC([N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091645010 193084445 /nfs/dbraw/zinc/08/44/45/193084445.db2.gz ASXDGIQCOGDUMV-SFHVURJKSA-N 2 1 302.462 2.528 50 0 DFAAMP C[NH+](C)[C@H]1CC[N@H+](Cc2ccc3occc3c2)C[C@H]1CCCO ZINC000092022165 193143106 /nfs/dbraw/zinc/14/31/06/193143106.db2.gz SGFKWHVJYULXOI-MSOLQXFVSA-N 2 1 316.445 2.957 50 0 DFAAMP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C[C@H]1CCCO ZINC000092022165 193143107 /nfs/dbraw/zinc/14/31/07/193143107.db2.gz SGFKWHVJYULXOI-MSOLQXFVSA-N 2 1 316.445 2.957 50 0 DFAAMP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043586 193145988 /nfs/dbraw/zinc/14/59/88/193145988.db2.gz YRWGLXCCXODRIQ-HKUYNNGSSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043586 193145990 /nfs/dbraw/zinc/14/59/90/193145990.db2.gz YRWGLXCCXODRIQ-HKUYNNGSSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043586 193145991 /nfs/dbraw/zinc/14/59/91/193145991.db2.gz YRWGLXCCXODRIQ-HKUYNNGSSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043587 193146489 /nfs/dbraw/zinc/14/64/89/193146489.db2.gz YRWGLXCCXODRIQ-MJGOQNOKSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043587 193146491 /nfs/dbraw/zinc/14/64/91/193146491.db2.gz YRWGLXCCXODRIQ-MJGOQNOKSA-N 2 1 318.461 2.628 50 0 DFAAMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043587 193146492 /nfs/dbraw/zinc/14/64/92/193146492.db2.gz YRWGLXCCXODRIQ-MJGOQNOKSA-N 2 1 318.461 2.628 50 0 DFAAMP CCCOc1ccc2ccccc2c1C[NH2+]CCC[NH2+]CCO ZINC000020968010 182256460 /nfs/dbraw/zinc/25/64/60/182256460.db2.gz IYDGAVWNHSHLOG-UHFFFAOYSA-N 2 1 316.445 2.690 50 0 DFAAMP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000023283521 182356537 /nfs/dbraw/zinc/35/65/37/182356537.db2.gz VPSFLDMAIGDNFC-UHFFFAOYSA-N 2 1 303.494 2.828 50 0 DFAAMP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000065382987 184332599 /nfs/dbraw/zinc/33/25/99/184332599.db2.gz RXSCTTVBVZVZEK-IBGZPJMESA-N 2 1 301.478 2.679 50 0 DFAAMP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](c4cccnc4)C3)cc2)cn1 ZINC000216073036 542874642 /nfs/dbraw/zinc/87/46/42/542874642.db2.gz CCZLENZPWPVIOD-IBGZPJMESA-N 2 1 320.396 2.841 50 0 DFAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000670462578 544044016 /nfs/dbraw/zinc/04/40/16/544044016.db2.gz ZPHDSUXUDZOXKX-CQSZACIVSA-N 2 1 311.520 2.752 50 0 DFAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000670462578 544044020 /nfs/dbraw/zinc/04/40/20/544044020.db2.gz ZPHDSUXUDZOXKX-CQSZACIVSA-N 2 1 311.520 2.752 50 0 DFAAMP CSc1ccc2cc(C[N@H+](C)CCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000067605002 425911707 /nfs/dbraw/zinc/91/17/07/425911707.db2.gz SLDQJSPYHDPBLD-UHFFFAOYSA-N 2 1 319.474 2.634 50 0 DFAAMP CSc1ccc2cc(C[N@@H+](C)CCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000067605002 425911708 /nfs/dbraw/zinc/91/17/08/425911708.db2.gz SLDQJSPYHDPBLD-UHFFFAOYSA-N 2 1 319.474 2.634 50 0 DFAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012715232 425734175 /nfs/dbraw/zinc/73/41/75/425734175.db2.gz IJNUGXOECPBXHV-MRXNPFEDSA-N 2 1 321.509 2.630 50 0 DFAAMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)[nH]1 ZINC000009862515 425694989 /nfs/dbraw/zinc/69/49/89/425694989.db2.gz WIOTXVGKEJGIGX-UHFFFAOYSA-N 2 1 313.445 2.754 50 0 DFAAMP Cc1ccc(-c2ccc(C[NH2+]CCC[NH2+]CCO)o2)cc1Cl ZINC000013733263 425760795 /nfs/dbraw/zinc/76/07/95/425760795.db2.gz INUSQRZYWUYGMT-UHFFFAOYSA-N 2 1 322.836 2.970 50 0 DFAAMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013733143 425761224 /nfs/dbraw/zinc/76/12/24/425761224.db2.gz PGWIIIDVDQLXGI-UHFFFAOYSA-N 2 1 308.809 2.662 50 0 DFAAMP Cc1ccc([C@H](C(=O)NCC[NH+]2CCCCCC2)[NH+](C)C)cc1 ZINC000095353585 426367093 /nfs/dbraw/zinc/36/70/93/426367093.db2.gz BIPOUEISGFLYBH-GOSISDBHSA-N 2 1 317.477 2.590 50 0 DFAAMP Cc1cccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)[nH+]1 ZINC000097096568 426448233 /nfs/dbraw/zinc/44/82/33/426448233.db2.gz GSJXKVPQVPUCJO-HZPDHXFCSA-N 2 1 303.450 2.716 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252512599 427185668 /nfs/dbraw/zinc/18/56/68/427185668.db2.gz STGOMVBCAKPCIR-YEWFCNIMSA-N 2 1 318.461 2.640 50 0 DFAAMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252512599 427185670 /nfs/dbraw/zinc/18/56/70/427185670.db2.gz STGOMVBCAKPCIR-YEWFCNIMSA-N 2 1 318.461 2.640 50 0 DFAAMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000253425755 427208996 /nfs/dbraw/zinc/20/89/96/427208996.db2.gz HDTUJELYLUPJEM-LPHOPBHVSA-N 2 1 319.468 2.592 50 0 DFAAMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000253425755 427209003 /nfs/dbraw/zinc/20/90/03/427209003.db2.gz HDTUJELYLUPJEM-LPHOPBHVSA-N 2 1 319.468 2.592 50 0 DFAAMP C[NH+](C)C1(CNC(=O)CC[C@H]2CCC[N@@H+](C)C2)CCCCCC1 ZINC000534645453 334306986 /nfs/dbraw/zinc/30/69/86/334306986.db2.gz UTGGFHPRGYHFSA-QGZVFWFLSA-N 2 1 323.525 2.879 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000245344213 398381878 /nfs/dbraw/zinc/38/18/78/398381878.db2.gz YDMLKFFQWJASGX-PFHKOEEOSA-N 2 1 310.388 2.603 50 0 DFAAMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](O)c1c(F)cccc1F ZINC000245344213 398381882 /nfs/dbraw/zinc/38/18/82/398381882.db2.gz YDMLKFFQWJASGX-PFHKOEEOSA-N 2 1 310.388 2.603 50 0 DFAAMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@H](C)C1 ZINC000096477389 398659619 /nfs/dbraw/zinc/65/96/19/398659619.db2.gz MNYWMMGUVMHAIH-PBHICJAKSA-N 2 1 303.450 2.690 50 0 DFAAMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OCC3CC3)c2)[C@H](C)C1 ZINC000096477389 398659624 /nfs/dbraw/zinc/65/96/24/398659624.db2.gz MNYWMMGUVMHAIH-PBHICJAKSA-N 2 1 303.450 2.690 50 0 DFAAMP C[C@H]([NH2+]Cc1cccn1CC[NH+]1CCOCC1)c1ccccc1 ZINC000004681398 181136144 /nfs/dbraw/zinc/13/61/44/181136144.db2.gz YVEKMLDJMIOZMW-KRWDZBQOSA-N 2 1 313.445 2.671 50 0 DFAAMP Cc1cc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000091817823 193112571 /nfs/dbraw/zinc/11/25/71/193112571.db2.gz IUBODZYYLMRSGN-UHFFFAOYSA-N 2 1 311.433 2.616 50 0 DFAAMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccccc1 ZINC000066243289 184398592 /nfs/dbraw/zinc/39/85/92/184398592.db2.gz BQPPOUXPSRQGEG-UHFFFAOYSA-N 2 1 322.456 2.749 50 0 DFAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ncc[nH]3)CC2)o1 ZINC000012301855 542421320 /nfs/dbraw/zinc/42/13/20/542421320.db2.gz IYSNWKBSPNBKHI-UHFFFAOYSA-N 2 1 302.422 2.655 50 0 DFAAMP c1cnn(Cc2ccccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067739958 542459890 /nfs/dbraw/zinc/45/98/90/542459890.db2.gz KBJVZJXXTAORBC-UHFFFAOYSA-N 2 1 310.445 2.507 50 0 DFAAMP Cc1cccc(C[N@@H+](C[C@]2(O)CC[NH2+]C2)C2CCCCC2)c1 ZINC000072408599 257270864 /nfs/dbraw/zinc/27/08/64/257270864.db2.gz XWCYVEWBDPRFTL-IBGZPJMESA-N 2 1 302.462 2.854 50 0 DFAAMP C[C@H]([NH2+]Cc1ccc(CN(C)C)c(F)c1)C1CC[NH+](C)CC1 ZINC000090920005 542538602 /nfs/dbraw/zinc/53/86/02/542538602.db2.gz NDDCGECWZWRTEK-AWEZNQCLSA-N 2 1 307.457 2.707 50 0 DFAAMP c1cn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000245791771 146102702 /nfs/dbraw/zinc/10/27/02/146102702.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000245791771 146102703 /nfs/dbraw/zinc/10/27/03/146102703.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000245791771 146102707 /nfs/dbraw/zinc/10/27/07/146102707.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 2 1 324.472 2.870 50 0 DFAAMP c1cn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000245791771 146102711 /nfs/dbraw/zinc/10/27/11/146102711.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 2 1 324.472 2.870 50 0 DFAAMP Cc1[nH+]cn(CC[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c1C ZINC000670460950 544044104 /nfs/dbraw/zinc/04/41/04/544044104.db2.gz UZSDJLGCJASJOE-INIZCTEOSA-N 2 1 302.397 2.508 50 0 DFAAMP C[N@H+]1CCC[C@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562056 425911513 /nfs/dbraw/zinc/91/15/13/425911513.db2.gz MQDONIGXKAGVCF-INIZCTEOSA-N 2 1 302.397 2.790 50 0 DFAAMP Cc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1C ZINC000067869167 425914364 /nfs/dbraw/zinc/91/43/64/425914364.db2.gz BHHSCJYVKCTHGJ-UHFFFAOYSA-N 2 1 315.505 2.905 50 0 DFAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C[C@H]21 ZINC000102552380 425922579 /nfs/dbraw/zinc/92/25/79/425922579.db2.gz MOVNBMBHXSWXDH-LDLYASANSA-N 2 1 316.489 2.630 50 0 DFAAMP Cc1cccc(NC(=O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000003266336 425612721 /nfs/dbraw/zinc/61/27/21/425612721.db2.gz BGJVDBPDUQQKHS-UHFFFAOYSA-N 2 1 303.450 2.832 50 0 DFAAMP C[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](CCO)CC1 ZINC000071871546 425997565 /nfs/dbraw/zinc/99/75/65/425997565.db2.gz DNDPTDDYNIXYBV-UHFFFAOYSA-N 2 1 302.871 2.538 50 0 DFAAMP C[N@@H+](C[C@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1 ZINC000121196004 426322784 /nfs/dbraw/zinc/32/27/84/426322784.db2.gz CUZKTHKAJPVSBU-KRWDZBQOSA-N 2 1 302.466 2.636 50 0 DFAAMP CCCn1c2ccccc2nc1CNC[C@H]1CCC[N@@H+](C)C1 ZINC000121204180 426324410 /nfs/dbraw/zinc/32/44/10/426324410.db2.gz XVKTUDLZSFDRCY-OAHLLOKOSA-N 2 1 300.450 2.878 50 0 DFAAMP CCc1c(C)[nH+]c(N)nc1NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000095383365 426371128 /nfs/dbraw/zinc/37/11/28/426371128.db2.gz PHBMPNSHRLVCEK-CYBMUJFWSA-N 2 1 303.454 2.606 50 0 DFAAMP Clc1c[nH+]ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000095974201 426380533 /nfs/dbraw/zinc/38/05/33/426380533.db2.gz CBBWGQUJPAZWGY-AWEZNQCLSA-N 2 1 309.841 2.816 50 0 DFAAMP CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)c2C1 ZINC000097136217 426452685 /nfs/dbraw/zinc/45/26/85/426452685.db2.gz FOGVXJGZQASCGE-GOSISDBHSA-N 2 1 313.445 2.835 50 0 DFAAMP CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)c2C1 ZINC000097136217 426452688 /nfs/dbraw/zinc/45/26/88/426452688.db2.gz FOGVXJGZQASCGE-GOSISDBHSA-N 2 1 313.445 2.835 50 0 DFAAMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000097287836 426462913 /nfs/dbraw/zinc/46/29/13/426462913.db2.gz LEKATWVVGUWZCQ-UHFFFAOYSA-N 2 1 315.255 2.507 50 0 DFAAMP COc1ccc(C[N@H+](C)CCCc2[nH+]ccn2C)c(OC)c1C ZINC000097711586 426473082 /nfs/dbraw/zinc/47/30/82/426473082.db2.gz AEXDRALZPHCUMU-UHFFFAOYSA-N 2 1 317.433 2.810 50 0 DFAAMP COc1ccc(C[N@@H+](C)CCCc2[nH+]ccn2C)c(OC)c1C ZINC000097711586 426473084 /nfs/dbraw/zinc/47/30/84/426473084.db2.gz AEXDRALZPHCUMU-UHFFFAOYSA-N 2 1 317.433 2.810 50 0 DFAAMP C[C@@H]1CCC[N@@H+]1Cc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000243932695 426722050 /nfs/dbraw/zinc/72/20/50/426722050.db2.gz BYBIIJYPAZJGDV-QGZVFWFLSA-N 2 1 318.461 2.772 50 0 DFAAMP C[C@@H]1CCC[N@H+]1Cc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000243932695 426722056 /nfs/dbraw/zinc/72/20/56/426722056.db2.gz BYBIIJYPAZJGDV-QGZVFWFLSA-N 2 1 318.461 2.772 50 0 DFAAMP COc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c(OC)c1 ZINC000178956287 426726099 /nfs/dbraw/zinc/72/60/99/426726099.db2.gz RFEBYNGOYUNIKE-KRWDZBQOSA-N 2 1 304.434 2.840 50 0 DFAAMP C[N@@H+]1CC[C@H](CNCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486441 427179062 /nfs/dbraw/zinc/17/90/62/427179062.db2.gz KBCDEQNUCVVROQ-MLGOLLRUSA-N 2 1 322.815 2.985 50 0 DFAAMP C[N@H+]1CC[C@H](CNCc2ncc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252486441 427179069 /nfs/dbraw/zinc/17/90/69/427179069.db2.gz KBCDEQNUCVVROQ-MLGOLLRUSA-N 2 1 322.815 2.985 50 0 DFAAMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000097033333 277051449 /nfs/dbraw/zinc/05/14/49/277051449.db2.gz HDOSKDIKWPTDKM-LJQANCHMSA-N 2 1 319.468 2.820 50 0 DFAAMP CN(Cc1cc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@@H+](C)C1 ZINC000230577324 563773528 /nfs/dbraw/zinc/77/35/28/563773528.db2.gz LKYSPYZCHZAQDU-INIZCTEOSA-N 2 1 307.507 2.870 50 0 DFAAMP