smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000585134893 398434199 /nfs/dbraw/zinc/43/41/99/398434199.db2.gz OIANEYHZGCFXAG-GUDVDZBRSA-N 2 0 302.462 2.759 50 0 DFAARP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC000072133244 191045164 /nfs/dbraw/zinc/04/51/64/191045164.db2.gz LTSLTKDOQKGWGD-IBGZPJMESA-N 2 0 320.477 2.624 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000253370586 186301400 /nfs/dbraw/zinc/30/14/00/186301400.db2.gz STQRGHGRXRYHLJ-PMACEKPBSA-N 2 0 315.505 2.940 50 0 DFAARP COC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000169789782 399000880 /nfs/dbraw/zinc/00/08/80/399000880.db2.gz NNUQFBGTRWXDRV-OAHLLOKOSA-N 2 0 308.853 2.788 50 0 DFAARP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169782622 399001789 /nfs/dbraw/zinc/00/17/89/399001789.db2.gz GHVMJSGULKTYJE-MRXNPFEDSA-N 2 0 320.502 2.807 50 0 DFAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)c1OC ZINC000010434690 181669614 /nfs/dbraw/zinc/66/96/14/181669614.db2.gz ICPPXKKWDUFVER-UHFFFAOYSA-N 2 0 312.841 2.837 50 0 DFAARP CC[NH+]1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000019888835 182160732 /nfs/dbraw/zinc/16/07/32/182160732.db2.gz JNSTXZPEGHDLFX-UHFFFAOYSA-N 2 0 301.478 2.597 50 0 DFAARP CC[NH+]1CCC(NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000022935295 182341899 /nfs/dbraw/zinc/34/18/99/182341899.db2.gz MBTYWVBAWTXARV-INIZCTEOSA-N 2 0 307.507 2.959 50 0 DFAARP C[C@H](CCc1ccccc1)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000065394099 184334872 /nfs/dbraw/zinc/33/48/72/184334872.db2.gz KINGXCFRKKQXAD-GOSISDBHSA-N 2 0 315.505 2.625 50 0 DFAARP c1cnn(Cc2ccccc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067919896 425914612 /nfs/dbraw/zinc/91/46/12/425914612.db2.gz ZJILIBONAJUJJG-IBGZPJMESA-N 2 0 310.445 2.507 50 0 DFAARP c1cnn(Cc2ccccc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000067919898 425914671 /nfs/dbraw/zinc/91/46/71/425914671.db2.gz ZJILIBONAJUJJG-LJQANCHMSA-N 2 0 310.445 2.507 50 0 DFAARP CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000067920792 425914685 /nfs/dbraw/zinc/91/46/85/425914685.db2.gz ULHOHTIILQWIGK-AWEZNQCLSA-N 2 0 316.424 2.989 50 0 DFAARP c1cnn(Cc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000067956007 425915108 /nfs/dbraw/zinc/91/51/08/425915108.db2.gz SDFUUTJYQNFRSM-IBGZPJMESA-N 2 0 310.445 2.507 50 0 DFAARP O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000067966390 425915404 /nfs/dbraw/zinc/91/54/04/425915404.db2.gz DNKMXLACGMUUEC-QGZVFWFLSA-N 2 0 300.446 2.652 50 0 DFAARP CCCc1cn(C2CC[NH+](C3CC[NH+](CCC)CC3)CC2)nn1 ZINC000048175551 425873436 /nfs/dbraw/zinc/87/34/36/425873436.db2.gz FJSDYJBCJZFQJV-UHFFFAOYSA-N 2 0 319.497 2.742 50 0 DFAARP C(=C/c1ccccc1)\C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069415614 425938756 /nfs/dbraw/zinc/93/87/56/425938756.db2.gz SSFJIIYMDRAJID-QPJJXVBHSA-N 2 0 300.446 2.744 50 0 DFAARP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000071915919 426004377 /nfs/dbraw/zinc/00/43/77/426004377.db2.gz AUYRJVQDBAUUJF-SFHVURJKSA-N 2 0 321.509 2.655 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000069658898 425951430 /nfs/dbraw/zinc/95/14/30/425951430.db2.gz MWZDUOIQGMEPFU-GFCCVEGCSA-N 2 0 316.898 2.926 50 0 DFAARP C[C@H](CCc1ccccc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000089895703 426315988 /nfs/dbraw/zinc/31/59/88/426315988.db2.gz XVKAEHGVTPFZJP-QGZVFWFLSA-N 2 0 304.478 2.786 50 0 DFAARP CC[N@H+](C)C1(CNC(=O)Nc2cccc(C[NH3+])c2)CCCCC1 ZINC000097137272 426452695 /nfs/dbraw/zinc/45/26/95/426452695.db2.gz FBIYQGXVFJDVNE-UHFFFAOYSA-N 2 0 318.465 2.921 50 0 DFAARP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000097160168 426454689 /nfs/dbraw/zinc/45/46/89/426454689.db2.gz VEVXPYYBQYABPY-CYBMUJFWSA-N 2 0 304.463 2.960 50 0 DFAARP CNc1cc([C@H]2C[C@@H]([NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)C2)ncn1 ZINC000244773789 426727531 /nfs/dbraw/zinc/72/75/31/426727531.db2.gz PGOOYQFZRXLEFF-BETUJISGSA-N 2 0 317.481 2.663 50 0 DFAARP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000275727114 426905554 /nfs/dbraw/zinc/90/55/54/426905554.db2.gz OSMWPJQSCPFKON-MRXNPFEDSA-N 2 0 318.490 2.744 50 0 DFAARP CCC[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182518904 427094271 /nfs/dbraw/zinc/09/42/71/427094271.db2.gz XOCVICUQYYPUGB-RDJZCZTQSA-N 2 0 309.498 2.617 50 0 DFAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419818 332169700 /nfs/dbraw/zinc/16/97/00/332169700.db2.gz PCSSIBZRKBXHJJ-AEFFLSMTSA-N 2 0 304.482 2.906 50 0 DFAARP COC1(OC)CC[C@@H]([N@H+](C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000725261739 563567764 /nfs/dbraw/zinc/56/77/64/563567764.db2.gz DYGREQAGYOOJFA-IAGOWNOFSA-N 2 0 306.450 2.625 50 0 DFAARP C[NH+]1CCN(C[C@H]([NH2+]C[C@H]2CC=CCC2)c2ccccc2)CC1 ZINC000095433965 185364142 /nfs/dbraw/zinc/36/41/42/185364142.db2.gz OGIZMDDIMBLSEN-ICSRJNTNSA-N 2 0 313.489 2.921 50 0 DFAARP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCC1OCCO1 ZINC000252586699 398420257 /nfs/dbraw/zinc/42/02/57/398420257.db2.gz RXUIKAGYYMDHRX-SJLPKXTDSA-N 2 0 318.461 2.592 50 0 DFAARP C[C@@H](Cn1ccnc1)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000584904058 398431363 /nfs/dbraw/zinc/43/13/63/398431363.db2.gz ZOHJHGDKICFXMO-KRWDZBQOSA-N 2 0 312.461 2.525 50 0 DFAARP c1cnn(Cc2ccc(C[NH+]3CCC4(CC[NH2+]CC4)CC3)cc2)c1 ZINC000072133433 191045626 /nfs/dbraw/zinc/04/56/26/191045626.db2.gz SQHWMFUXOKQRRO-UHFFFAOYSA-N 2 0 324.472 2.897 50 0 DFAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000169789837 399000777 /nfs/dbraw/zinc/00/07/77/399000777.db2.gz VOFNDFIPYDRLBS-OAHLLOKOSA-N 2 0 308.491 2.847 50 0 DFAARP OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](CC1CC1)CC2 ZINC000169782211 399001664 /nfs/dbraw/zinc/00/16/64/399001664.db2.gz ZAOQJYHMIKYFOW-IBGZPJMESA-N 2 0 314.473 2.603 50 0 DFAARP COC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CC12CC[NH2+]CC2 ZINC000169789810 399001677 /nfs/dbraw/zinc/00/16/77/399001677.db2.gz KTYVGSWGYCXTBF-INIZCTEOSA-N 2 0 313.445 2.616 50 0 DFAARP OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](C1CCC1)CC2 ZINC000169783583 399001728 /nfs/dbraw/zinc/00/17/28/399001728.db2.gz BDMZIGIQYKOMJZ-SFHVURJKSA-N 2 0 314.473 2.745 50 0 DFAARP COC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC000169782588 399001924 /nfs/dbraw/zinc/00/19/24/399001924.db2.gz ZMPONCRLKMUHPQ-MRXNPFEDSA-N 2 0 317.477 2.728 50 0 DFAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)c1 ZINC000091586847 193075695 /nfs/dbraw/zinc/07/56/95/193075695.db2.gz SVGJKQKAIOJTGH-IBGZPJMESA-N 2 0 302.462 2.562 50 0 DFAARP COCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091794172 193109124 /nfs/dbraw/zinc/10/91/24/193109124.db2.gz YRALBPLQINBZNW-SFHVURJKSA-N 2 0 302.462 2.834 50 0 DFAARP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000020264081 182201149 /nfs/dbraw/zinc/20/11/49/182201149.db2.gz ASIXXJPWMHNLIN-OFQRWUPVSA-N 2 0 306.450 2.565 50 0 DFAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3nccn3C)CC2)o1 ZINC000012300879 542420992 /nfs/dbraw/zinc/42/09/92/542420992.db2.gz HPOOGCYSZPLBJT-UHFFFAOYSA-N 2 0 316.449 2.666 50 0 DFAARP Fc1ccc(N2CC[C@H]([N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426395409 257252771 /nfs/dbraw/zinc/25/27/71/257252771.db2.gz QEXSSHRCELLKKG-SFHVURJKSA-N 2 0 317.452 2.870 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000092746532 542550607 /nfs/dbraw/zinc/55/06/07/542550607.db2.gz LCBRGSCNJOIDEV-LMMKCTJWSA-N 2 0 307.526 2.818 50 0 DFAARP Cc1ccsc1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220340246 542880740 /nfs/dbraw/zinc/88/07/40/542880740.db2.gz BKJIVHHQTTWQMX-UHFFFAOYSA-N 2 0 308.491 2.727 50 0 DFAARP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000371472037 150051625 /nfs/dbraw/zinc/05/16/25/150051625.db2.gz XVPLBMQGHBMZMW-GBESFXJTSA-N 2 0 302.462 2.987 50 0 DFAARP Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000065398118 425902573 /nfs/dbraw/zinc/90/25/73/425902573.db2.gz IYVQJGOVIPXKIO-UHFFFAOYSA-N 2 0 311.429 2.844 50 0 DFAARP O[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccc2ccccc2c1 ZINC000067473275 425910894 /nfs/dbraw/zinc/91/08/94/425910894.db2.gz HORGSARUFRCULU-LEWJYISDSA-N 2 0 324.468 2.990 50 0 DFAARP C/C(=C\c1ccco1)C[N@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067805668 425913285 /nfs/dbraw/zinc/91/32/85/425913285.db2.gz FZBPHZSQAQNBRH-SAPNQHFASA-N 2 0 317.477 2.785 50 0 DFAARP C[N@@H+]1CCC[C@H](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067982570 425915205 /nfs/dbraw/zinc/91/52/05/425915205.db2.gz SYGKHFSAHYERPE-OAHLLOKOSA-N 2 0 323.525 2.781 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000069349820 425935896 /nfs/dbraw/zinc/93/58/96/425935896.db2.gz USJAAJPEMBGKHB-AWEZNQCLSA-N 2 0 302.418 2.615 50 0 DFAARP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745049 425877147 /nfs/dbraw/zinc/87/71/47/425877147.db2.gz MWBPIGPQPMLRDN-CQSZACIVSA-N 2 0 314.433 2.517 50 0 DFAARP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)c(Cl)c1 ZINC000069810217 425959474 /nfs/dbraw/zinc/95/94/74/425959474.db2.gz KESJUSRSOHJEIR-GFCCVEGCSA-N 2 0 314.832 2.834 50 0 DFAARP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000095967072 426379727 /nfs/dbraw/zinc/37/97/27/426379727.db2.gz WVHQVHABHLBNEB-ZBFHGGJFSA-N 2 0 306.450 2.566 50 0 DFAARP Cc1ccc(O)c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000096456858 426430987 /nfs/dbraw/zinc/43/09/87/426430987.db2.gz IUEKIIAGDXNMGS-UHFFFAOYSA-N 2 0 303.450 2.982 50 0 DFAARP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000097235563 426459763 /nfs/dbraw/zinc/45/97/63/426459763.db2.gz PISNPXRWMPRFND-ZDUSSCGKSA-N 2 0 313.848 2.767 50 0 DFAARP C[NH+]1CCN(CCC[NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000097235539 426460496 /nfs/dbraw/zinc/46/04/96/426460496.db2.gz DDDFQSWOEXVUOR-UHFFFAOYSA-N 2 0 307.869 2.556 50 0 DFAARP CCn1c(C[NH+]2CCCCCCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244811639 426730134 /nfs/dbraw/zinc/73/01/34/426730134.db2.gz SIGCNXCWRFEBAF-SHTZXODSSA-N 2 0 305.470 2.659 50 0 DFAARP Fc1ccc(N2CC[C@H]([NH2+]CC3(Cn4ccnc4)CC3)C2)cc1 ZINC000534664770 334318459 /nfs/dbraw/zinc/31/84/59/334318459.db2.gz VAIIJGXJZMTSML-INIZCTEOSA-N 2 0 314.408 2.671 50 0 DFAARP CC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000534670847 334320107 /nfs/dbraw/zinc/32/01/07/334320107.db2.gz UUOPSDMXHATCIM-OAHLLOKOSA-N 2 0 305.441 2.726 50 0 DFAARP C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C1CC[NH2+]CC1)CC2 ZINC000095497032 185374460 /nfs/dbraw/zinc/37/44/60/185374460.db2.gz JMIRQFVJAJOHNM-GOSISDBHSA-N 2 0 313.489 2.692 50 0 DFAARP c1cnn(Cc2ccccc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000095419581 185359814 /nfs/dbraw/zinc/35/98/14/185359814.db2.gz DJWKQPBVIHWUGQ-UHFFFAOYSA-N 2 0 324.472 2.895 50 0 DFAARP O[C@H](C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000249257237 398412249 /nfs/dbraw/zinc/41/22/49/398412249.db2.gz GTJAXYJRYRWSDP-MGPQQGTHSA-N 2 0 308.388 2.544 50 0 DFAARP C[N@@H+]1CCC2(C1)CC[NH+]([C@@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000584886884 398426547 /nfs/dbraw/zinc/42/65/47/398426547.db2.gz RKYDVPGQWIMYHI-GOSISDBHSA-N 2 0 317.452 2.822 50 0 DFAARP C[C@H](Cn1ccnc1)[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000584904059 398431448 /nfs/dbraw/zinc/43/14/48/398431448.db2.gz ZOHJHGDKICFXMO-QGZVFWFLSA-N 2 0 312.461 2.525 50 0 DFAARP Cc1cc(N2CCC[N@H+](Cc3cccc(CC[NH3+])c3)CC2)cc[nH+]1 ZINC000072170596 191067781 /nfs/dbraw/zinc/06/77/81/191067781.db2.gz CEMYTQOIIIINBJ-UHFFFAOYSA-N 3 0 324.472 2.604 50 0 DFAARP C[C@@H](C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1)[NH+]1CCCC1 ZINC000072457479 191172407 /nfs/dbraw/zinc/17/24/07/191172407.db2.gz DWTZBMCMKKCDRI-KRWDZBQOSA-N 3 0 315.505 2.884 50 0 DFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414190 199155586 /nfs/dbraw/zinc/15/55/86/199155586.db2.gz ZTOLSCYQHXNOCL-IIDMSEBBSA-N 2 0 312.461 2.905 50 0 DFAARP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000237360475 202243176 /nfs/dbraw/zinc/24/31/76/202243176.db2.gz UKDNAAKMRGBCDH-OAHLLOKOSA-N 2 0 312.417 2.728 50 0 DFAARP [NH3+][C@H]1C[C@@H](c2cc(NCCCC[NH+]3CCCCCC3)ncn2)C1 ZINC000244748730 202495862 /nfs/dbraw/zinc/49/58/62/202495862.db2.gz ONFWXDVVEDOCTN-IYBDPMFKSA-N 2 0 317.481 2.749 50 0 DFAARP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000020264075 182200971 /nfs/dbraw/zinc/20/09/71/182200971.db2.gz ASIXXJPWMHNLIN-SQWLQELKSA-N 2 0 306.450 2.565 50 0 DFAARP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000065202201 184314451 /nfs/dbraw/zinc/31/44/51/184314451.db2.gz OJTADSOESYWMFG-INIZCTEOSA-N 2 0 311.433 2.691 50 0 DFAARP c1ccc2c(c1)CC[C@H]([NH2+]CCCCC[NH+]1CCOCC1)C2 ZINC000065427874 184343396 /nfs/dbraw/zinc/34/33/96/184343396.db2.gz NZYZQMAXGRYQSE-IBGZPJMESA-N 2 0 302.462 2.636 50 0 DFAARP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000052867251 425886342 /nfs/dbraw/zinc/88/63/42/425886342.db2.gz HERVYXKBLZHRFF-JKSUJKDBSA-N 2 0 321.465 2.511 50 0 DFAARP CCCc1cn(C2CC[NH+](C[C@@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055168559 425892282 /nfs/dbraw/zinc/89/22/82/425892282.db2.gz XJCQMNHVHYPWTK-MRXNPFEDSA-N 2 0 319.497 2.599 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000069349821 425935330 /nfs/dbraw/zinc/93/53/30/425935330.db2.gz USJAAJPEMBGKHB-CQSZACIVSA-N 2 0 302.418 2.615 50 0 DFAARP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000069737631 425954997 /nfs/dbraw/zinc/95/49/97/425954997.db2.gz RDWSKXWUDUPJHK-SFHVURJKSA-N 2 0 317.477 2.657 50 0 DFAARP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc[nH+]1 ZINC000170614931 426140097 /nfs/dbraw/zinc/14/00/97/426140097.db2.gz CYZKRDVCZNCSKJ-LJQANCHMSA-N 2 0 311.429 2.959 50 0 DFAARP C[C@@H]1C[N@@H+](CCC2CCN(Cc3nccs3)CC2)C[C@H](C)O1 ZINC000135130822 426206881 /nfs/dbraw/zinc/20/68/81/426206881.db2.gz DVYLMZRWQRGPKM-GASCZTMLSA-N 2 0 323.506 2.854 50 0 DFAARP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000097200684 426457522 /nfs/dbraw/zinc/45/75/22/426457522.db2.gz LSFWEUAHTZFWEW-OAHLLOKOSA-N 2 0 300.406 2.929 50 0 DFAARP CC[N@@H+]1CC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124177566 426473481 /nfs/dbraw/zinc/47/34/81/426473481.db2.gz YMDGUXUPAUXURQ-LJQANCHMSA-N 3 0 315.505 2.625 50 0 DFAARP c1cn(CC2(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)CC2)cn1 ZINC000067964833 304859614 /nfs/dbraw/zinc/85/96/14/304859614.db2.gz HAFAUPAGQFTVHU-UHFFFAOYSA-N 2 0 302.466 2.565 50 0 DFAARP CC(C)(C)OC(=O)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000725244825 546412780 /nfs/dbraw/zinc/41/27/80/546412780.db2.gz MPKQMDOBOPPANI-UHFFFAOYSA-N 2 0 304.434 2.569 50 0 DFAARP C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095391667 185351764 /nfs/dbraw/zinc/35/17/64/185351764.db2.gz CORKSQAHJALGIA-INIZCTEOSA-N 2 0 313.449 2.614 50 0 DFAARP C[NH+](C)C[C@@]1(O)CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000072463700 191173862 /nfs/dbraw/zinc/17/38/62/191173862.db2.gz ORUOYZONVIYIOA-NRFANRHFSA-N 2 0 324.468 2.817 50 0 DFAARP COC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000169789781 399001221 /nfs/dbraw/zinc/00/12/21/399001221.db2.gz NNUQFBGTRWXDRV-HNNXBMFYSA-N 2 0 308.853 2.788 50 0 DFAARP Cc1ccc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)o1 ZINC000169787264 399001897 /nfs/dbraw/zinc/00/18/97/399001897.db2.gz DXDWUSPUHDNPKL-QGZVFWFLSA-N 2 0 304.434 2.665 50 0 DFAARP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000284423300 218020803 /nfs/dbraw/zinc/02/08/03/218020803.db2.gz RJZIMPGSKZOVTP-NVXWUHKLSA-N 2 0 318.461 2.674 50 0 DFAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2sccc2c1 ZINC000065380285 184332012 /nfs/dbraw/zinc/33/20/12/184332012.db2.gz GPPKACYTGUSIPP-AWEZNQCLSA-N 2 0 303.475 2.627 50 0 DFAARP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000069515213 184521498 /nfs/dbraw/zinc/52/14/98/184521498.db2.gz MKLVAMCOSLNQCN-UHFFFAOYSA-N 2 0 323.868 2.942 50 0 DFAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065782 542424399 /nfs/dbraw/zinc/42/43/99/542424399.db2.gz KFDNRNMLDUBAFY-INIZCTEOSA-N 2 0 321.509 2.632 50 0 DFAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065783 542424744 /nfs/dbraw/zinc/42/47/44/542424744.db2.gz KFDNRNMLDUBAFY-MRXNPFEDSA-N 2 0 321.509 2.632 50 0 DFAARP CCOc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1Cl ZINC000426550947 257246842 /nfs/dbraw/zinc/24/68/42/257246842.db2.gz AHSIPZWEJGLYOE-SDSIWUNFSA-N 2 0 306.837 2.921 50 0 DFAARP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000253629951 257257857 /nfs/dbraw/zinc/25/78/57/257257857.db2.gz FZEAMWRSKSGLEX-RCCFBDPRSA-N 2 0 300.446 2.795 50 0 DFAARP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000670440467 544040374 /nfs/dbraw/zinc/04/03/74/544040374.db2.gz XWJDTUIHDDQECM-LJQANCHMSA-N 2 0 322.456 2.791 50 0 DFAARP C[C@@H](CCn1cccn1)[NH+]1CCC(CC[NH+]2CCCC2)CC1 ZINC000670452240 544042592 /nfs/dbraw/zinc/04/25/92/544042592.db2.gz MDLDZZPODHYPKA-KRWDZBQOSA-N 2 0 304.482 2.860 50 0 DFAARP COc1ccc(-c2nc(C[NH+](C)C)cc(C[NH+](C)C)c2O)cc1 ZINC000005002523 425621884 /nfs/dbraw/zinc/62/18/84/425621884.db2.gz FNQGFZSAVIVQAS-UHFFFAOYSA-N 2 0 315.417 2.586 50 0 DFAARP OCC[NH+]1CCC(C[NH2+]Cc2csc3ccccc23)CC1 ZINC000069418148 425938455 /nfs/dbraw/zinc/93/84/55/425938455.db2.gz YHBOEXSGPSZOMO-UHFFFAOYSA-N 2 0 304.459 2.695 50 0 DFAARP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000089375351 426288242 /nfs/dbraw/zinc/28/82/42/426288242.db2.gz JWMWQGYAQKJOQN-GOSISDBHSA-N 2 0 321.509 2.632 50 0 DFAARP C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2OC(C)C)CC1 ZINC000097162639 426456113 /nfs/dbraw/zinc/45/61/13/426456113.db2.gz NIZBIGQGJMDUFZ-UHFFFAOYSA-N 2 0 306.450 2.914 50 0 DFAARP C[NH2+]CCC1CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000097162674 426456327 /nfs/dbraw/zinc/45/63/27/426456327.db2.gz QKRKCYZKKGEMNO-UHFFFAOYSA-N 2 0 306.450 2.533 50 0 DFAARP Cc1nc(NCC(C)(C)[NH+]2CCCCC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000220045920 426575034 /nfs/dbraw/zinc/57/50/34/426575034.db2.gz OLRQKZMRNIQXAV-SHTZXODSSA-N 2 0 318.465 2.700 50 0 DFAARP CCOc1ccccc1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000244691577 426723576 /nfs/dbraw/zinc/72/35/76/426723576.db2.gz JFEMEHQKXJCSCU-UHFFFAOYSA-N 2 0 304.434 2.540 50 0 DFAARP Cc1cc(N2CC[NH2+]CC2)c2cc(Br)ccc2[nH+]1 ZINC000040175106 274708350 /nfs/dbraw/zinc/70/83/50/274708350.db2.gz ATMAKUFFJBSSBZ-UHFFFAOYSA-N 2 0 306.207 2.715 50 0 DFAARP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000069538238 276308706 /nfs/dbraw/zinc/30/87/06/276308706.db2.gz XMLCYXIZXQJSCG-FUHWJXTLSA-N 2 0 317.477 2.526 50 0 DFAARP C[NH+](C)CCCN(CCCc1ccccc1)CCC[NH+](C)C ZINC000003680983 398348691 /nfs/dbraw/zinc/34/86/91/398348691.db2.gz SBVBKVVEKOURBW-UHFFFAOYSA-N 2 0 305.510 2.825 50 0 DFAARP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000095419536 185359785 /nfs/dbraw/zinc/35/97/85/185359785.db2.gz JUUGNWICZUOLRR-WOJBJXKFSA-N 2 0 315.505 2.625 50 0 DFAARP [NH3+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000071764146 191027672 /nfs/dbraw/zinc/02/76/72/191027672.db2.gz AUJNCJYCKADNSN-LJQANCHMSA-N 2 0 323.440 2.599 50 0 DFAARP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188037743 186247111 /nfs/dbraw/zinc/24/71/11/186247111.db2.gz ULQKLXBNQFWOSW-JKSUJKDBSA-N 2 0 320.452 2.847 50 0 DFAARP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCn1cccn1 ZINC000189947598 186253449 /nfs/dbraw/zinc/25/34/49/186253449.db2.gz OYVUDLMUYIYRLX-IAGOWNOFSA-N 2 0 312.461 2.629 50 0 DFAARP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436120 191166641 /nfs/dbraw/zinc/16/66/41/191166641.db2.gz MDYVZLBMUNHGNF-FQEVSTJZSA-N 2 0 316.489 2.918 50 0 DFAARP O[C@H](C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000129445879 398836746 /nfs/dbraw/zinc/83/67/46/398836746.db2.gz GTJAXYJRYRWSDP-MELADBBJSA-N 2 0 308.388 2.544 50 0 DFAARP c1cc2c(cccc2C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC000076762925 398869018 /nfs/dbraw/zinc/86/90/18/398869018.db2.gz CSUDGNJKODTANJ-OAHLLOKOSA-N 2 0 313.445 2.758 50 0 DFAARP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169782621 399001831 /nfs/dbraw/zinc/00/18/31/399001831.db2.gz GHVMJSGULKTYJE-INIZCTEOSA-N 2 0 320.502 2.807 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000262676374 203377571 /nfs/dbraw/zinc/37/75/71/203377571.db2.gz SAQLQJUSLYCNRT-CIRFHOKZSA-N 2 0 317.477 2.511 50 0 DFAARP CC[NH+](CC)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000019635841 182134120 /nfs/dbraw/zinc/13/41/20/182134120.db2.gz MINSWOXZKJMWJI-UHFFFAOYSA-N 2 0 303.494 2.625 50 0 DFAARP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000040623327 183109926 /nfs/dbraw/zinc/10/99/26/183109926.db2.gz HSRQSVXWFVPGOV-ZDUSSCGKSA-N 2 0 304.463 2.958 50 0 DFAARP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000284423304 218021480 /nfs/dbraw/zinc/02/14/80/218021480.db2.gz RJZIMPGSKZOVTP-RDJZCZTQSA-N 2 0 318.461 2.674 50 0 DFAARP CC(C)[NH+]1CCC([NH2+]CCc2cnn(-c3ccccc3)c2)CC1 ZINC000065466857 184349922 /nfs/dbraw/zinc/34/99/22/184349922.db2.gz BUUORODEVKJPQX-UHFFFAOYSA-N 2 0 312.461 2.877 50 0 DFAARP CC(C)C(=O)N1CCC(C[NH2+][C@H](C)CN2CCCCCC2)CC1 ZINC000067472880 425910553 /nfs/dbraw/zinc/91/05/53/425910553.db2.gz FSAIWLQPJKVCNY-QGZVFWFLSA-N 2 0 323.525 2.735 50 0 DFAARP Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)o1 ZINC000067603936 425911815 /nfs/dbraw/zinc/91/18/15/425911815.db2.gz ZWNAQRVNRIVFCL-MRXNPFEDSA-N 2 0 319.493 2.793 50 0 DFAARP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000069349894 425935880 /nfs/dbraw/zinc/93/58/80/425935880.db2.gz KODSCPYVKQTLBR-MRXNPFEDSA-N 2 0 320.477 2.656 50 0 DFAARP C[N@@H+]1CCCN(c2ncccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000011813728 425714453 /nfs/dbraw/zinc/71/44/53/425714453.db2.gz AXYDLHUSDKDTQX-KRWDZBQOSA-N 2 0 314.477 2.669 50 0 DFAARP c1ccc2c(c1)C[C@@H](C[N@@H+]1CCC3(C1)CC[NH2+]CC3)CCO2 ZINC000095519748 426373152 /nfs/dbraw/zinc/37/31/52/426373152.db2.gz YKMHAPJCIKWKRX-INIZCTEOSA-N 2 0 300.446 2.703 50 0 DFAARP CCOc1c(OC)cc(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000097162660 426456470 /nfs/dbraw/zinc/45/64/70/426456470.db2.gz NNAYISAZQLKITG-UHFFFAOYSA-N 2 0 322.449 2.804 50 0 DFAARP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000222090039 426582051 /nfs/dbraw/zinc/58/20/51/426582051.db2.gz YRWGLXCCXODRIQ-PKOBYXMFSA-N 2 0 318.461 2.628 50 0 DFAARP C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000240551527 426715834 /nfs/dbraw/zinc/71/58/34/426715834.db2.gz GUKIXORTYCIUMN-MJGOQNOKSA-N 2 0 301.478 2.582 50 0 DFAARP CCC[NH+]1CCC(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244633744 426723141 /nfs/dbraw/zinc/72/31/41/426723141.db2.gz GIVPPQPWAHZARR-IYBDPMFKSA-N 2 0 317.481 2.605 50 0 DFAARP COc1ccc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c(OC)c1 ZINC000178956297 426726188 /nfs/dbraw/zinc/72/61/88/426726188.db2.gz RFEBYNGOYUNIKE-QGZVFWFLSA-N 2 0 304.434 2.840 50 0 DFAARP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245339159 426732192 /nfs/dbraw/zinc/73/21/92/426732192.db2.gz QYQJTWSPPULTRS-RHSMWYFYSA-N 2 0 323.506 2.589 50 0 DFAARP CCC[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246045215 426793266 /nfs/dbraw/zinc/79/32/66/426793266.db2.gz XOCVICUQYYPUGB-NVXWUHKLSA-N 2 0 309.498 2.617 50 0 DFAARP CCC[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182518919 427092726 /nfs/dbraw/zinc/09/27/26/427092726.db2.gz XOCVICUQYYPUGB-DOTOQJQBSA-N 2 0 309.498 2.617 50 0 DFAARP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1cccn1 ZINC000249370422 427110258 /nfs/dbraw/zinc/11/02/58/427110258.db2.gz OYVUDLMUYIYRLX-DZFIZOCASA-N 2 0 312.461 2.629 50 0 DFAARP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000252536925 427188743 /nfs/dbraw/zinc/18/87/43/427188743.db2.gz JUOPBAQLZQBKFK-GBESFXJTSA-N 2 0 305.510 2.691 50 0 DFAARP C[NH+]1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257185138 427306458 /nfs/dbraw/zinc/30/64/58/427306458.db2.gz JFYWBMYFQKXGFA-UHFFFAOYSA-N 2 0 316.445 2.524 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000249028718 276198249 /nfs/dbraw/zinc/19/82/49/276198249.db2.gz AYVLCJGFSDWJCR-IPMKNSEASA-N 2 0 305.510 2.691 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000225514149 276198337 /nfs/dbraw/zinc/19/83/37/276198337.db2.gz AYVLCJGFSDWJCR-OTWHNJEPSA-N 2 0 305.510 2.691 50 0 DFAARP C[NH+](C)Cc1ccc([C@H]2CC[C@@H](c3ccc(C[NH+](C)C)[nH]3)[NH2+]2)[nH]1 ZINC000006378959 289224790 /nfs/dbraw/zinc/22/47/90/289224790.db2.gz SFXBYWGDODJASS-HDICACEKSA-N 3 0 315.465 2.632 50 0 DFAARP C([NH2+]C1CSCCSC1)C1CC[NH+](CC2CC2)CC1 ZINC000534676862 334323596 /nfs/dbraw/zinc/32/35/96/334323596.db2.gz RLQRKSJLHLGOBO-UHFFFAOYSA-N 2 0 300.537 2.547 50 0 DFAARP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419079 185359940 /nfs/dbraw/zinc/35/99/40/185359940.db2.gz UCXAVMJGMOOOLO-FUHWJXTLSA-N 2 0 304.482 2.906 50 0 DFAARP CN([C@@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457098 185370390 /nfs/dbraw/zinc/37/03/90/185370390.db2.gz MDYHGELKQSERGN-HXUWFJFHSA-N 2 0 313.489 2.820 50 0 DFAARP CN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000584896362 398428860 /nfs/dbraw/zinc/42/88/60/398428860.db2.gz HEYMTMOMXVRUQE-ZWKOTPCHSA-N 2 0 321.509 2.585 50 0 DFAARP COC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC000169782587 399001010 /nfs/dbraw/zinc/00/10/10/399001010.db2.gz ZMPONCRLKMUHPQ-INIZCTEOSA-N 2 0 317.477 2.728 50 0 DFAARP Cc1cc(C)c2[nH]c(C[NH2+]CC[C@@H]3CCC[N@H+]3C)cc(=O)c2c1 ZINC000091782484 193106977 /nfs/dbraw/zinc/10/69/77/193106977.db2.gz KKLCHODRTNBCIQ-INIZCTEOSA-N 2 0 313.445 2.719 50 0 DFAARP Cc1ccc(C[NH+]2CCC(CNc3cc(C)[nH+]c(N)n3)CC2)o1 ZINC000091964645 193133949 /nfs/dbraw/zinc/13/39/49/193133949.db2.gz TVMORGKMMOMXKU-UHFFFAOYSA-N 2 0 315.421 2.593 50 0 DFAARP CCCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1OCC ZINC000020968255 182256462 /nfs/dbraw/zinc/25/64/62/182256462.db2.gz KHQGUZCQGZNGPA-UHFFFAOYSA-N 2 0 306.450 2.963 50 0 DFAARP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000042229201 183244309 /nfs/dbraw/zinc/24/43/09/183244309.db2.gz BONKLBYUGNBZOC-CYBMUJFWSA-N 2 0 314.408 2.790 50 0 DFAARP [NH3+][C@H]1[C@@H]2CC[C@H]1CN(Cc1cc(C[NH+]3CCCCC3)cs1)C2 ZINC000426712578 257243700 /nfs/dbraw/zinc/24/37/00/257243700.db2.gz FJFFXQYPVAUDMP-VQFNDLOPSA-N 2 0 319.518 2.903 50 0 DFAARP Fc1ccc(N2CC[C@@H]([N@@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426395408 257252392 /nfs/dbraw/zinc/25/23/92/257252392.db2.gz QEXSSHRCELLKKG-GOSISDBHSA-N 2 0 317.452 2.870 50 0 DFAARP Cc1nn(C[C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)c1Cl ZINC000426389971 257252694 /nfs/dbraw/zinc/25/26/94/257252694.db2.gz VXALYVAJUYAVMT-NSHDSACASA-N 2 0 306.841 2.790 50 0 DFAARP C[NH+]1C(C)(C)CC(Nc2cc(C3CC([NH3+])C3)ncn2)CC1(C)C ZINC000220264381 542879848 /nfs/dbraw/zinc/87/98/48/542879848.db2.gz CRGOLOHDEFZGDU-UHFFFAOYSA-N 2 0 317.481 2.745 50 0 DFAARP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000221888639 542882866 /nfs/dbraw/zinc/88/28/66/542882866.db2.gz WVHQVHABHLBNEB-HOCLYGCPSA-N 2 0 306.450 2.566 50 0 DFAARP CC(C)C(=O)N1CCC(C[NH2+][C@@H](C)CN2CCCCCC2)CC1 ZINC000067472879 425910626 /nfs/dbraw/zinc/91/06/26/425910626.db2.gz FSAIWLQPJKVCNY-KRWDZBQOSA-N 2 0 323.525 2.735 50 0 DFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012715237 425734965 /nfs/dbraw/zinc/73/49/65/425734965.db2.gz IJNUGXOECPBXHV-INIZCTEOSA-N 2 0 321.509 2.630 50 0 DFAARP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](CCCc2ccccc2)C1 ZINC000077392555 426132382 /nfs/dbraw/zinc/13/23/82/426132382.db2.gz UMVOMNBAIUVZSY-LJQANCHMSA-N 2 0 302.462 2.542 50 0 DFAARP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(SC)cc3)C2)CC1 ZINC000171530024 426192616 /nfs/dbraw/zinc/19/26/16/426192616.db2.gz GCCLHZGPQVRAAP-KRWDZBQOSA-N 2 0 319.518 2.620 50 0 DFAARP C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000097229000 426460288 /nfs/dbraw/zinc/46/02/88/426460288.db2.gz GUKIXORTYCIUMN-IEBWSBKVSA-N 2 0 301.478 2.582 50 0 DFAARP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000225514247 426603282 /nfs/dbraw/zinc/60/32/82/426603282.db2.gz JUOPBAQLZQBKFK-FHWLQOOXSA-N 2 0 305.510 2.691 50 0 DFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000252476741 427176812 /nfs/dbraw/zinc/17/68/12/427176812.db2.gz APISCBGGXRRKCK-HKUYNNGSSA-N 2 0 313.445 2.645 50 0 DFAARP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000252536926 427187823 /nfs/dbraw/zinc/18/78/23/427187823.db2.gz JUOPBAQLZQBKFK-IPMKNSEASA-N 2 0 305.510 2.691 50 0 DFAARP Nc1cc[nH+]cc1-c1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000299766846 427768483 /nfs/dbraw/zinc/76/84/83/427768483.db2.gz GIENQLSLFJODFT-UHFFFAOYSA-N 2 0 324.428 2.547 50 0 DFAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000095967789 274485983 /nfs/dbraw/zinc/48/59/83/274485983.db2.gz PKIPIKLJFLARTB-CHWSQXEVSA-N 2 0 313.848 2.766 50 0 DFAARP OC[C@H]1C[N@H+](CCc2ccccc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091468859 275050135 /nfs/dbraw/zinc/05/01/35/275050135.db2.gz XGEHPLIRLIBBOQ-WOJBJXKFSA-N 2 0 316.489 2.645 50 0 DFAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000178306223 315990033 /nfs/dbraw/zinc/99/00/33/315990033.db2.gz HQBPPNGTGURMSQ-HNNXBMFYSA-N 2 0 302.462 2.922 50 0 DFAARP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000095421858 185360682 /nfs/dbraw/zinc/36/06/82/185360682.db2.gz MWWWLYQTMASITP-LSDHHAIUSA-N 2 0 309.885 2.874 50 0 DFAARP COCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091794171 193109452 /nfs/dbraw/zinc/10/94/52/193109452.db2.gz YRALBPLQINBZNW-GOSISDBHSA-N 2 0 302.462 2.834 50 0 DFAARP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000040623324 183109457 /nfs/dbraw/zinc/10/94/57/183109457.db2.gz HSRQSVXWFVPGOV-CYBMUJFWSA-N 2 0 304.463 2.958 50 0 DFAARP OC1(C[NH+]2CCCC2)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000216483405 257273421 /nfs/dbraw/zinc/27/34/21/257273421.db2.gz VEMVVGFZACNZLJ-UHFFFAOYSA-N 2 0 313.445 2.591 50 0 DFAARP CN(Cc1cc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000223399241 542885679 /nfs/dbraw/zinc/88/56/79/542885679.db2.gz LKYSPYZCHZAQDU-MRXNPFEDSA-N 2 0 307.507 2.870 50 0 DFAARP CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1C[NH+](C)C ZINC000670438207 544040287 /nfs/dbraw/zinc/04/02/87/544040287.db2.gz CGEPVHNJSDTRIV-QGZVFWFLSA-N 2 0 320.477 2.740 50 0 DFAARP COc1ccc(C[NH2+]CCC[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000001694547 425584997 /nfs/dbraw/zinc/58/49/97/425584997.db2.gz QVGJBXLXNGAZPZ-UHFFFAOYSA-N 2 0 314.429 2.973 50 0 DFAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000077340044 426127495 /nfs/dbraw/zinc/12/74/95/426127495.db2.gz KKVMWEWVRAGMSU-UHFFFAOYSA-N 3 0 324.472 2.604 50 0 DFAARP [NH3+]CCc1cccc(CN2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000077506122 426136465 /nfs/dbraw/zinc/13/64/65/426136465.db2.gz RCRWFUZMCRMXEU-HXUWFJFHSA-N 2 0 315.505 2.886 50 0 DFAARP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000089895701 426316397 /nfs/dbraw/zinc/31/63/97/426316397.db2.gz XVKAEHGVTPFZJP-KRWDZBQOSA-N 2 0 304.478 2.786 50 0 DFAARP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC3(C1)CC[NH2+]CC3)CCO2 ZINC000095519747 426373790 /nfs/dbraw/zinc/37/37/90/426373790.db2.gz YKMHAPJCIKWKRX-MRXNPFEDSA-N 2 0 300.446 2.703 50 0 DFAARP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491278 426435834 /nfs/dbraw/zinc/43/58/34/426435834.db2.gz IDXPHEUFTGJFRC-HOCLYGCPSA-N 2 0 317.433 2.778 50 0 DFAARP CN1CCC[N@H+](C/C=C/c2ccc(F)cc2)CC12CC[NH2+]CC2 ZINC000097515217 426468880 /nfs/dbraw/zinc/46/88/80/426468880.db2.gz IZAOCOQJSSFZEN-DUXPYHPUSA-N 2 0 317.452 2.599 50 0 DFAARP Cc1cc(N2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)cc[nH+]1 ZINC000097743155 426473806 /nfs/dbraw/zinc/47/38/06/426473806.db2.gz LEPLFPPLLXOUBG-MRXNPFEDSA-N 2 0 303.450 2.717 50 0 DFAARP CC[N@H+](C)C1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CCCCC1 ZINC000222451384 426584544 /nfs/dbraw/zinc/58/45/44/426584544.db2.gz PMRNFUVDZZGIJF-SHTZXODSSA-N 2 0 317.481 2.748 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000246005723 426790853 /nfs/dbraw/zinc/79/08/53/426790853.db2.gz HDOSKDIKWPTDKM-IBGZPJMESA-N 2 0 319.468 2.820 50 0 DFAARP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000097109386 275909016 /nfs/dbraw/zinc/90/90/16/275909016.db2.gz XRZSXCOXCFAURY-RTBURBONSA-N 2 0 305.510 2.692 50 0 DFAARP C[NH+](C)C1(CNC(=O)CC[NH+]2CCCCCCC2)CCCC1 ZINC000534653710 334312853 /nfs/dbraw/zinc/31/28/53/334312853.db2.gz NRSSRHAECIDRKA-UHFFFAOYSA-N 2 0 309.498 2.633 50 0 DFAARP OC[C@@H]1CCCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000000757722 398346410 /nfs/dbraw/zinc/34/64/10/398346410.db2.gz OMZWBQCUDFGCOD-IBGZPJMESA-N 2 0 302.462 2.540 50 0 DFAARP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000090518814 185300081 /nfs/dbraw/zinc/30/00/81/185300081.db2.gz WJIJBPIVNYPBCD-QZTJIDSGSA-N 2 0 310.445 2.897 50 0 DFAARP C(c1nc2c(s1)CCCC2)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072147784 191053136 /nfs/dbraw/zinc/05/31/36/191053136.db2.gz PEZVLFIZEGCIFN-UHFFFAOYSA-N 2 0 305.491 2.988 50 0 DFAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000072170116 191067735 /nfs/dbraw/zinc/06/77/35/191067735.db2.gz VTRRFOMIOBVFTQ-LJQANCHMSA-N 2 0 313.445 2.513 50 0 DFAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc3ccccc3n2)CC1 ZINC000072170115 191067826 /nfs/dbraw/zinc/06/78/26/191067826.db2.gz VTRRFOMIOBVFTQ-IBGZPJMESA-N 2 0 313.445 2.513 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000253370587 186301707 /nfs/dbraw/zinc/30/17/07/186301707.db2.gz STQRGHGRXRYHLJ-UXHICEINSA-N 2 0 315.505 2.940 50 0 DFAARP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC1OCCO1 ZINC000124585875 398803898 /nfs/dbraw/zinc/80/38/98/398803898.db2.gz RXUIKAGYYMDHRX-WMZOPIPTSA-N 2 0 318.461 2.592 50 0 DFAARP OC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](CC1CC1)CC2 ZINC000169782212 399001157 /nfs/dbraw/zinc/00/11/57/399001157.db2.gz ZAOQJYHMIKYFOW-LJQANCHMSA-N 2 0 314.473 2.603 50 0 DFAARP O[C@]12CC[NH2+]C[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1)CC2 ZINC000091288554 193032077 /nfs/dbraw/zinc/03/20/77/193032077.db2.gz JAKRMXSVFYWABM-SFTDATJTSA-N 2 0 322.452 2.900 50 0 DFAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)CC(C)C)CC1 ZINC000012307636 181748193 /nfs/dbraw/zinc/74/81/93/181748193.db2.gz HMSZZBGPWLDEFI-UHFFFAOYSA-N 2 0 319.493 2.898 50 0 DFAARP c1cc([C@@H]2CCCO2)sc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426479158 257249603 /nfs/dbraw/zinc/24/96/03/257249603.db2.gz WWHFMFBLAFKHEL-HNNXBMFYSA-N 2 0 322.474 2.554 50 0 DFAARP CSCC[NH+]1CCN(Cc2ccc([C@H](C)[NH+](C)C)cc2)CC1 ZINC000215841983 542873612 /nfs/dbraw/zinc/87/36/12/542873612.db2.gz HUMCUICVSVLAIV-INIZCTEOSA-N 2 0 321.534 2.790 50 0 DFAARP c1cn(CC[C@H]2CCCC[N@@H+]2Cc2cccc3nonc32)cn1 ZINC000216069916 542874850 /nfs/dbraw/zinc/87/48/50/542874850.db2.gz GZIXWGVYJKTUAM-OAHLLOKOSA-N 2 0 311.389 2.864 50 0 DFAARP Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000670449766 544041852 /nfs/dbraw/zinc/04/18/52/544041852.db2.gz AOUVMNHIVSPQIE-OAHLLOKOSA-N 2 0 300.450 2.740 50 0 DFAARP C[N@H+](CCCNC(=[NH2+])NCc1ccccc1)Cc1ccccc1 ZINC000057752206 425897173 /nfs/dbraw/zinc/89/71/73/425897173.db2.gz SDEDFDSLBHBWNM-UHFFFAOYSA-N 2 0 310.445 2.823 50 0 DFAARP Cc1nn2cc(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)nc2s1 ZINC000067785220 425913442 /nfs/dbraw/zinc/91/34/42/425913442.db2.gz BZZITUQNCFBUAW-UHFFFAOYSA-N 2 0 319.478 2.501 50 0 DFAARP CCCCc1nc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000067878556 425914303 /nfs/dbraw/zinc/91/43/03/425914303.db2.gz KLQYILJNDQZLCJ-UHFFFAOYSA-N 2 0 310.873 2.981 50 0 DFAARP c1coc(-c2nc(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)no2)c1 ZINC000067868852 425914370 /nfs/dbraw/zinc/91/43/70/425914370.db2.gz QGIHEIHWIOXWFB-UHFFFAOYSA-N 2 0 316.405 2.732 50 0 DFAARP Cc1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664250 425710784 /nfs/dbraw/zinc/71/07/84/425710784.db2.gz NYPJELBGZLRNJU-GOSISDBHSA-N 2 0 318.509 2.918 50 0 DFAARP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000069737632 425955823 /nfs/dbraw/zinc/95/58/23/425955823.db2.gz RDWSKXWUDUPJHK-GOSISDBHSA-N 2 0 317.477 2.657 50 0 DFAARP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000090518815 426327796 /nfs/dbraw/zinc/32/77/96/426327796.db2.gz WJIJBPIVNYPBCD-ZWKOTPCHSA-N 2 0 310.445 2.897 50 0 DFAARP Cc1c[nH+]ccc1N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095363896 426368250 /nfs/dbraw/zinc/36/82/50/426368250.db2.gz YBQUUEFFHFGZNZ-MRXNPFEDSA-N 2 0 313.449 2.532 50 0 DFAARP CCc1c(C)[nH+]c(N)nc1NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000095383364 426370604 /nfs/dbraw/zinc/37/06/04/426370604.db2.gz PHBMPNSHRLVCEK-ZDUSSCGKSA-N 2 0 303.454 2.606 50 0 DFAARP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000097200683 426457866 /nfs/dbraw/zinc/45/78/66/426457866.db2.gz LSFWEUAHTZFWEW-HNNXBMFYSA-N 2 0 300.406 2.929 50 0 DFAARP [NH3+][C@H]1C[C@@H](c2cc(NCCCC[NH+]3CCCCCC3)ncn2)C1 ZINC000222532182 426582862 /nfs/dbraw/zinc/58/28/62/426582862.db2.gz ONFWXDVVEDOCTN-WKILWMFISA-N 2 0 317.481 2.749 50 0 DFAARP [NH3+]CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000216170270 426556567 /nfs/dbraw/zinc/55/65/67/426556567.db2.gz XQXJTICYXFHXLW-IBGZPJMESA-N 2 0 310.441 2.868 50 0 DFAARP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000248051496 426978549 /nfs/dbraw/zinc/97/85/49/426978549.db2.gz XMLCYXIZXQJSCG-AEFFLSMTSA-N 2 0 317.477 2.526 50 0 DFAARP Cc1ncccc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190473074 427117425 /nfs/dbraw/zinc/11/74/25/427117425.db2.gz VRGXSAIGDXMSSR-GOSISDBHSA-N 2 0 310.445 2.739 50 0 DFAARP C[C@@H]1OC2(C[C@H]1[NH2+]CCCNc1ccccc1)CC[NH+](C)CC2 ZINC000685940765 546412008 /nfs/dbraw/zinc/41/20/08/546412008.db2.gz UGJBAEAXWIDIIO-FUHWJXTLSA-N 2 0 317.477 2.720 50 0 DFAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1F ZINC000046438955 282084467 /nfs/dbraw/zinc/08/44/67/282084467.db2.gz NSUQWUYNAOZZSY-UHFFFAOYSA-N 2 0 324.444 2.563 50 0 DFAARP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000095434091 185364033 /nfs/dbraw/zinc/36/40/33/185364033.db2.gz YCMFZMKWTXLMCX-MRXNPFEDSA-N 2 0 321.509 2.559 50 0 DFAARP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1cccn1 ZINC000189947577 186253271 /nfs/dbraw/zinc/25/32/71/186253271.db2.gz OYVUDLMUYIYRLX-IRXDYDNUSA-N 2 0 312.461 2.629 50 0 DFAARP c1ccc(CCC[N@@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000072454133 191170765 /nfs/dbraw/zinc/17/07/65/191170765.db2.gz VGRWUKDHVGBNTC-HXUWFJFHSA-N 2 0 315.505 2.627 50 0 DFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCO)CC2)C1 ZINC000091585940 193075311 /nfs/dbraw/zinc/07/53/11/193075311.db2.gz ABESPZMGUGLDLE-SFHVURJKSA-N 2 0 302.462 2.570 50 0 DFAARP C[C@@H]1C[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)CC[C@]1(C)O ZINC000091707395 193095020 /nfs/dbraw/zinc/09/50/20/193095020.db2.gz LLUUNBDTDNMLRG-PBHICJAKSA-N 2 0 308.491 2.937 50 0 DFAARP C[NH+](C)C[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@@H]1CO ZINC000091849090 193117184 /nfs/dbraw/zinc/11/71/84/193117184.db2.gz MJIVDVSYXQAXOB-NHCUHLMSSA-N 2 0 324.468 2.956 50 0 DFAARP c1ccc2c(c1)CC[C@@H]([NH2+]CCCCC[NH+]1CCOCC1)C2 ZINC000065427881 184343369 /nfs/dbraw/zinc/34/33/69/184343369.db2.gz NZYZQMAXGRYQSE-LJQANCHMSA-N 2 0 302.462 2.636 50 0 DFAARP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000252498118 256612176 /nfs/dbraw/zinc/61/21/76/256612176.db2.gz RYJUCJVHJIVRIZ-CALCHBBNSA-N 2 0 321.428 2.756 50 0 DFAARP C[C@H](CCn1cccn1)[NH+]1CCC(CC[NH+]2CCCC2)CC1 ZINC000670452241 544042443 /nfs/dbraw/zinc/04/24/43/544042443.db2.gz MDLDZZPODHYPKA-QGZVFWFLSA-N 2 0 304.482 2.860 50 0 DFAARP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)cc1C ZINC000067540246 425911275 /nfs/dbraw/zinc/91/12/75/425911275.db2.gz WOPQMIKAKHNAKP-UHFFFAOYSA-N 2 0 315.505 2.824 50 0 DFAARP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[NH2+]C(C)(C)C ZINC000007984414 425658408 /nfs/dbraw/zinc/65/84/08/425658408.db2.gz UIFSFLQATRSTLZ-AWEZNQCLSA-N 2 0 321.465 2.780 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccccc2)CC1 ZINC000104064334 425957610 /nfs/dbraw/zinc/95/76/10/425957610.db2.gz CWJQCQXYAQKYKQ-SKHCZCESSA-N 2 0 302.462 2.724 50 0 DFAARP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000072308463 426013835 /nfs/dbraw/zinc/01/38/35/426013835.db2.gz HUWWNLRELSNFMS-CQSZACIVSA-N 2 0 311.420 2.595 50 0 DFAARP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491282 426435429 /nfs/dbraw/zinc/43/54/29/426435429.db2.gz IDXPHEUFTGJFRC-GOEBONIOSA-N 2 0 317.433 2.778 50 0 DFAARP c1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000280426665 426574365 /nfs/dbraw/zinc/57/43/65/426574365.db2.gz MFQXOKRJNKNXGL-BGYRXZFFSA-N 2 0 313.489 2.536 50 0 DFAARP COc1ccccc1OCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000252483987 427177928 /nfs/dbraw/zinc/17/79/28/427177928.db2.gz FLRKPQHFGQGNBM-INIZCTEOSA-N 2 0 306.450 2.880 50 0 DFAARP CC(C)n1nc(C[NH2+]CC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000261492034 427337085 /nfs/dbraw/zinc/33/70/85/427337085.db2.gz QHXROGABIHIDBY-UHFFFAOYSA-N 2 0 313.449 2.615 50 0 DFAARP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419819 332169842 /nfs/dbraw/zinc/16/98/42/332169842.db2.gz PCSSIBZRKBXHJJ-WMZOPIPTSA-N 2 0 304.482 2.906 50 0 DFAARP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000095829258 185384204 /nfs/dbraw/zinc/38/42/04/185384204.db2.gz NKXFOFOVVAQHTA-UHFFFAOYSA-N 2 0 301.478 2.536 50 0 DFAARP C[C@@H](C1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1)[NH+]1CCCC1 ZINC000072473360 191175458 /nfs/dbraw/zinc/17/54/58/191175458.db2.gz IKXOAORAJSQMHU-KRWDZBQOSA-N 3 0 315.505 2.884 50 0 DFAARP Cc1cc(N2CC[NH+](Cc3ccc(CC[NH3+])cc3)CC2)cc(C)[nH+]1 ZINC000072474307 191176577 /nfs/dbraw/zinc/17/65/77/191176577.db2.gz LRPCBIZQHXOTNW-UHFFFAOYSA-N 3 0 324.472 2.522 50 0 DFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414154 199155823 /nfs/dbraw/zinc/15/58/23/199155823.db2.gz ZTOLSCYQHXNOCL-RKVPGOIHSA-N 2 0 312.461 2.905 50 0 DFAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789830 399000971 /nfs/dbraw/zinc/00/09/71/399000971.db2.gz CDSQBRCXGOMTDS-HNNXBMFYSA-N 2 0 324.415 2.755 50 0 DFAARP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)c1 ZINC000091586848 193075366 /nfs/dbraw/zinc/07/53/66/193075366.db2.gz SVGJKQKAIOJTGH-LJQANCHMSA-N 2 0 302.462 2.562 50 0 DFAARP CC[NH+]1CCC(NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000022935292 182342545 /nfs/dbraw/zinc/34/25/45/182342545.db2.gz MBTYWVBAWTXARV-MRXNPFEDSA-N 2 0 307.507 2.959 50 0 DFAARP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000167790049 256587980 /nfs/dbraw/zinc/58/79/80/256587980.db2.gz AARFZAOEYHEPHL-QAPCUYQASA-N 2 0 317.477 2.702 50 0 DFAARP CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1C[NH+](C)C ZINC000670438206 544040223 /nfs/dbraw/zinc/04/02/23/544040223.db2.gz CGEPVHNJSDTRIV-KRWDZBQOSA-N 2 0 320.477 2.740 50 0 DFAARP CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000067920791 425914693 /nfs/dbraw/zinc/91/46/93/425914693.db2.gz ULHOHTIILQWIGK-CQSZACIVSA-N 2 0 316.424 2.989 50 0 DFAARP c1ccc(C[NH+]2CCC(N3CC[C@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947622 425914832 /nfs/dbraw/zinc/91/48/32/425914832.db2.gz UJBGGBGNLADJCH-HXUWFJFHSA-N 2 0 313.489 2.727 50 0 DFAARP CC(C)[NH+]1CCC([NH+]2CCC(CNC(=O)C(C)(C)C)CC2)CC1 ZINC000067982752 425915095 /nfs/dbraw/zinc/91/50/95/425915095.db2.gz MBOMBFRYFPROIT-UHFFFAOYSA-N 2 0 323.525 2.734 50 0 DFAARP C[C@H](c1cc(F)ccc1F)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628446 425950878 /nfs/dbraw/zinc/95/08/78/425950878.db2.gz ZFKUTTWFQQJXMI-CYBMUJFWSA-N 2 0 312.404 2.662 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000069658895 425952120 /nfs/dbraw/zinc/95/21/20/425952120.db2.gz MWZDUOIQGMEPFU-LBPRGKRZSA-N 2 0 316.898 2.926 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccccc2)CC1 ZINC000104064339 425957510 /nfs/dbraw/zinc/95/75/10/425957510.db2.gz CWJQCQXYAQKYKQ-UXHZXRBQSA-N 2 0 302.462 2.724 50 0 DFAARP COc1ccc2n[nH]c(C[NH+]3CCC([C@@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407433 426132418 /nfs/dbraw/zinc/13/24/18/426132418.db2.gz IVKOUPLAWQXJHP-CYBMUJFWSA-N 2 0 316.449 2.734 50 0 DFAARP Cc1cc(N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc(C)[nH+]1 ZINC000096159953 426403575 /nfs/dbraw/zinc/40/35/75/426403575.db2.gz MQBDUMLJGLYSEF-KRWDZBQOSA-N 2 0 316.493 2.551 50 0 DFAARP CCc1[nH+]c(N)nc(N2CCCC3(CC[NH+](C)CC3)CC2)c1C ZINC000095376064 426369202 /nfs/dbraw/zinc/36/92/02/426369202.db2.gz POXWJYHKYSZXJI-UHFFFAOYSA-N 2 0 317.481 2.632 50 0 DFAARP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000097162470 426456132 /nfs/dbraw/zinc/45/61/32/426456132.db2.gz SNGHYMFXKHLNSM-INIZCTEOSA-N 2 0 300.450 2.902 50 0 DFAARP COc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1C[NH+]1CCCC1 ZINC000215111079 426550697 /nfs/dbraw/zinc/55/06/97/426550697.db2.gz NXFGKGCXBNNOCJ-INIZCTEOSA-N 2 0 318.461 2.902 50 0 DFAARP Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000225514226 426604739 /nfs/dbraw/zinc/60/47/39/426604739.db2.gz RCPBIJBIDHMXPO-GOSISDBHSA-N 2 0 311.429 2.959 50 0 DFAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000229706217 426638630 /nfs/dbraw/zinc/63/86/30/426638630.db2.gz HERVYXKBLZHRFF-CVEARBPZSA-N 2 0 321.465 2.511 50 0 DFAARP COc1ccccc1OCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000252483988 427179652 /nfs/dbraw/zinc/17/96/52/427179652.db2.gz FLRKPQHFGQGNBM-MRXNPFEDSA-N 2 0 306.450 2.880 50 0 DFAARP C[C@H](c1cccc(C[N@H+](C)CCN2CCCCC2=O)c1)[NH+](C)C ZINC000097819538 290246779 /nfs/dbraw/zinc/24/67/79/290246779.db2.gz LQHRVBKLZODCNV-MRXNPFEDSA-N 2 0 317.477 2.754 50 0 DFAARP CCC[C@@H]1C[NH2+]CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000097165826 332193657 /nfs/dbraw/zinc/19/36/57/332193657.db2.gz QFXFMHLOLOXUJC-HXUWFJFHSA-N 2 0 315.505 2.767 50 0 DFAARP CCC[C@H]1C[NH2+]CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000097165827 332193731 /nfs/dbraw/zinc/19/37/31/332193731.db2.gz QFXFMHLOLOXUJC-FQEVSTJZSA-N 2 0 315.505 2.767 50 0 DFAARP CCCn1ccnc1CNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000534672962 334321262 /nfs/dbraw/zinc/32/12/62/334321262.db2.gz LSMVKAGFDXABQF-UHFFFAOYSA-N 2 0 318.465 2.708 50 0 DFAARP CNc1cc([C@H]2C[C@@H]([NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)C2)ncn1 ZINC000223855608 563737196 /nfs/dbraw/zinc/73/71/96/563737196.db2.gz PGOOYQFZRXLEFF-JOCQHMNTSA-N 2 0 317.481 2.663 50 0 DFAARP O[C@@H](COc1ccccc1C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000095504469 185375276 /nfs/dbraw/zinc/37/52/76/185375276.db2.gz VWVZCKPVXDYESS-GOSISDBHSA-N 2 0 318.461 2.508 50 0 DFAARP C[N@@H+]1CCC[C@@H]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000000757256 398346398 /nfs/dbraw/zinc/34/63/98/398346398.db2.gz MWRGHCWYMGERLO-HXUWFJFHSA-N 3 0 315.505 2.767 50 0 DFAARP C[NH+](C)CCCC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000095452473 185369333 /nfs/dbraw/zinc/36/93/33/185369333.db2.gz HTSCLGIFGKWUSO-JOCHJYFZSA-N 2 0 322.518 2.848 50 0 DFAARP CN1CC[NH+](C2(CNc3cc[nH+]c4ccccc34)CCCC2)CC1 ZINC000584896453 398428994 /nfs/dbraw/zinc/42/89/94/398428994.db2.gz KXDMAZDUFJDQKN-UHFFFAOYSA-N 2 0 324.472 2.629 50 0 DFAARP O[C@H]1CCC[N@@H+](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000072167691 191066332 /nfs/dbraw/zinc/06/63/32/191066332.db2.gz ZSEQAPFQHOIPCZ-KRWDZBQOSA-N 2 0 320.502 2.700 50 0 DFAARP C=Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000225583724 186280073 /nfs/dbraw/zinc/28/00/73/186280073.db2.gz ZYXGOHOCXPAYHK-HSALFYBXSA-N 2 0 322.456 2.984 50 0 DFAARP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237474702 186295037 /nfs/dbraw/zinc/29/50/37/186295037.db2.gz BAUNCDIGCVRQCQ-MRXNPFEDSA-N 2 0 312.461 2.942 50 0 DFAARP O=C(CCC(=O)CC[NH+]1CCCCC1)CC[NH+]1CCCCC1 ZINC000004337654 181099095 /nfs/dbraw/zinc/09/90/95/181099095.db2.gz HVLAPBNSKSHPTL-UHFFFAOYSA-N 2 0 308.466 2.657 50 0 DFAARP Cc1cccc(N2CCC([NH2+][C@H]3CN(C(C)C)C[C@H]3C)CC2)n1 ZINC000110687751 398723733 /nfs/dbraw/zinc/72/37/33/398723733.db2.gz IIWXNRHDSOHGAU-QAPCUYQASA-N 3 0 316.493 2.677 50 0 DFAARP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000237360397 202243240 /nfs/dbraw/zinc/24/32/40/202243240.db2.gz UKDNAAKMRGBCDH-HNNXBMFYSA-N 2 0 312.417 2.728 50 0 DFAARP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)o1 ZINC000169783890 399001304 /nfs/dbraw/zinc/00/13/04/399001304.db2.gz CFXFHFXVGZPSEV-INIZCTEOSA-N 2 0 318.461 2.647 50 0 DFAARP Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)o1 ZINC000169787263 399001812 /nfs/dbraw/zinc/00/18/12/399001812.db2.gz DXDWUSPUHDNPKL-KRWDZBQOSA-N 2 0 304.434 2.665 50 0 DFAARP CC(C)[NH+]1CCC(Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000170593823 399007370 /nfs/dbraw/zinc/00/73/70/399007370.db2.gz QFXZVQVFRRBHCX-UHFFFAOYSA-N 2 0 316.493 2.723 50 0 DFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCCO)CC2)C1 ZINC000091305753 193036728 /nfs/dbraw/zinc/03/67/28/193036728.db2.gz OZJWTPLRZXWCQF-IBGZPJMESA-N 2 0 316.489 2.960 50 0 DFAARP C[C@H](c1cccc(-c2cn(CC[NH+]3CCCC3)nn2)c1)[NH+](C)C ZINC000091781758 193106637 /nfs/dbraw/zinc/10/66/37/193106637.db2.gz ASYSUVIKFJOMDY-OAHLLOKOSA-N 2 0 313.449 2.664 50 0 DFAARP C1CC2(CC[NH2+]1)CCC[N@@H+](C1CSCCSC1)CC2 ZINC000426409561 257251600 /nfs/dbraw/zinc/25/16/00/257251600.db2.gz WMHJMMAHAWHMIH-UHFFFAOYSA-N 2 0 300.537 2.691 50 0 DFAARP [NH3+]C1CC(c2cc(NCC3([NH+]4CCCC4)CCCC3)ncn2)C1 ZINC000222287204 542883511 /nfs/dbraw/zinc/88/35/11/542883511.db2.gz MRHNCPCNDXIOSZ-UHFFFAOYSA-N 2 0 315.465 2.502 50 0 DFAARP O[C@@]1(C[NH2+]Cc2cccc3[nH]ccc32)CCC[N@@H+]2CCCC[C@@H]21 ZINC000067770905 425913090 /nfs/dbraw/zinc/91/30/90/425913090.db2.gz AGOGPYYWWAAROA-RTBURBONSA-N 2 0 313.445 2.637 50 0 DFAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)CC(C)(C)CO)CC2)o1 ZINC000014953455 425775412 /nfs/dbraw/zinc/77/54/12/425775412.db2.gz PSPCHZDWWHKDOB-UHFFFAOYSA-N 2 0 308.466 2.750 50 0 DFAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000095967786 426379542 /nfs/dbraw/zinc/37/95/42/426379542.db2.gz PKIPIKLJFLARTB-STQMWFEESA-N 2 0 313.848 2.766 50 0 DFAARP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419322 /nfs/dbraw/zinc/41/93/22/426419322.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 2 0 313.445 2.833 50 0 DFAARP CCc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)cc1 ZINC000222429346 426584683 /nfs/dbraw/zinc/58/46/83/426584683.db2.gz LSMAWHZMBONVIL-UHFFFAOYSA-N 2 0 316.489 2.919 50 0 DFAARP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194126 426645683 /nfs/dbraw/zinc/64/56/83/426645683.db2.gz OOVPAUSPEWBZET-BLLLJJGKSA-N 2 0 308.422 2.537 50 0 DFAARP C[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccsc2)CC1 ZINC000241447067 426716645 /nfs/dbraw/zinc/71/66/45/426716645.db2.gz NQVSLRZZMDRACO-UHFFFAOYSA-N 2 0 301.459 2.790 50 0 DFAARP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000190458898 427115449 /nfs/dbraw/zinc/11/54/49/427115449.db2.gz PMLDEYSOYLZDDU-OAHLLOKOSA-N 2 0 318.490 2.744 50 0 DFAARP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052510 282079741 /nfs/dbraw/zinc/07/97/41/282079741.db2.gz QJXIXKLUFJQZKM-QFBILLFUSA-N 2 0 312.461 2.809 50 0 DFAARP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H]2CC=CCC2)c2ccccc2)CC1 ZINC000095433968 185364175 /nfs/dbraw/zinc/36/41/75/185364175.db2.gz OGIZMDDIMBLSEN-UYAOXDASSA-N 2 0 313.489 2.921 50 0 DFAARP OC1CC[NH+](Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000095423607 185361113 /nfs/dbraw/zinc/36/11/13/185361113.db2.gz LPSJKOHWPRPAGD-UHFFFAOYSA-N 2 0 314.473 2.922 50 0 DFAARP C[N@@H+]1CCC2(C1)CC[NH+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000584886885 398426170 /nfs/dbraw/zinc/42/61/70/398426170.db2.gz RKYDVPGQWIMYHI-SFHVURJKSA-N 2 0 317.452 2.822 50 0 DFAARP OCC[C@H](C[NH2+][C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000585134892 398434111 /nfs/dbraw/zinc/43/41/11/398434111.db2.gz OIANEYHZGCFXAG-CEXWTWQISA-N 2 0 302.462 2.759 50 0 DFAARP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000090050203 398476264 /nfs/dbraw/zinc/47/62/64/398476264.db2.gz KZYVQLMELLATGB-CVEARBPZSA-N 2 0 314.477 2.826 50 0 DFAARP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237477779 186295804 /nfs/dbraw/zinc/29/58/04/186295804.db2.gz XXGJGQSCFUQXPG-MRXNPFEDSA-N 2 0 312.461 2.942 50 0 DFAARP Cc1cc(N2CC[NH+](Cc3cccc4nonc43)CC2)cc(C)[nH+]1 ZINC000072432878 191163897 /nfs/dbraw/zinc/16/38/97/191163897.db2.gz CAIJWZIJEMGQAU-UHFFFAOYSA-N 2 0 323.400 2.557 50 0 DFAARP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000284423296 218020558 /nfs/dbraw/zinc/02/05/58/218020558.db2.gz RJZIMPGSKZOVTP-DOTOQJQBSA-N 2 0 318.461 2.674 50 0 DFAARP CC(C)([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000426727292 257243716 /nfs/dbraw/zinc/24/37/16/257243716.db2.gz ASKBBAKAPSPDFH-LJQANCHMSA-N 2 0 321.509 2.619 50 0 DFAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000052867249 425886124 /nfs/dbraw/zinc/88/61/24/425886124.db2.gz HERVYXKBLZHRFF-HOTGVXAUSA-N 2 0 321.465 2.511 50 0 DFAARP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249803593 146206528 /nfs/dbraw/zinc/20/65/28/146206528.db2.gz ASWKPKOETKLQGU-CVEARBPZSA-N 2 0 324.428 2.843 50 0 DFAARP Cc1cccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](C)C3)CC2)c1C ZINC000065433771 425902725 /nfs/dbraw/zinc/90/27/25/425902725.db2.gz LZOUWHLTCFHKIR-KRWDZBQOSA-N 2 0 301.478 2.814 50 0 DFAARP c1cnn(Cc2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)c1 ZINC000067713710 425912624 /nfs/dbraw/zinc/91/26/24/425912624.db2.gz HCJCGBONZITFLG-LJQANCHMSA-N 2 0 310.445 2.507 50 0 DFAARP C(Cc1[nH]nc2c1CCCC2)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067869074 425914402 /nfs/dbraw/zinc/91/44/02/425914402.db2.gz PSJVDDIMFOKOKC-UHFFFAOYSA-N 2 0 316.493 2.733 50 0 DFAARP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)n1ccnc1)c1ccccc1 ZINC000068385351 425917609 /nfs/dbraw/zinc/91/76/09/425917609.db2.gz ZJGTZWDAOWDFGC-HUUCEWRRSA-N 2 0 314.433 2.690 50 0 DFAARP Clc1ccccc1OC1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102546465 425921671 /nfs/dbraw/zinc/92/16/71/425921671.db2.gz ZYUFHNAZTFWSCO-FICVDOATSA-N 2 0 306.837 2.649 50 0 DFAARP [NH3+]CCCc1nc2cc3sc(CCC[NH3+])nc3cc2s1 ZINC000002981216 425607067 /nfs/dbraw/zinc/60/70/67/425607067.db2.gz YBOLUILGCXAJGK-UHFFFAOYSA-N 2 0 306.460 2.689 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccccc2)CC1 ZINC000071877586 425998003 /nfs/dbraw/zinc/99/80/03/425998003.db2.gz CWJQCQXYAQKYKQ-NADMHLTPSA-N 2 0 302.462 2.724 50 0 DFAARP C[C@@H](C1CC[NH+](Cc2cccc(F)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077391400 426132377 /nfs/dbraw/zinc/13/23/77/426132377.db2.gz AIQHOHTWWVWKSD-INIZCTEOSA-N 2 0 319.468 2.674 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000089382466 426288075 /nfs/dbraw/zinc/28/80/75/426288075.db2.gz NHSWTTFEGRSKGE-FQEVSTJZSA-N 2 0 315.505 2.625 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000095952907 426375683 /nfs/dbraw/zinc/37/56/83/426375683.db2.gz OYWBNEVZRPDTGU-AZUAARDMSA-N 2 0 315.505 2.720 50 0 DFAARP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160170 426455496 /nfs/dbraw/zinc/45/54/96/426455496.db2.gz RFMDXJAJCBSRIP-CQSZACIVSA-N 2 0 302.422 2.800 50 0 DFAARP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200844 426457065 /nfs/dbraw/zinc/45/70/65/426457065.db2.gz BUKLTPQHNBCAAP-OAHLLOKOSA-N 2 0 300.406 2.929 50 0 DFAARP CC1CC[NH+](CCCCNC(=[NH2+])NCc2ccccc2)CC1 ZINC000058329448 276196568 /nfs/dbraw/zinc/19/65/68/276196568.db2.gz YCGIKKVYYBDTNO-UHFFFAOYSA-N 2 0 302.466 2.813 50 0 DFAARP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419821 332169790 /nfs/dbraw/zinc/16/97/90/332169790.db2.gz PCSSIBZRKBXHJJ-FUHWJXTLSA-N 2 0 304.482 2.906 50 0 DFAARP Cc1cccn2cc(CC[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)nc12 ZINC000170065582 563903412 /nfs/dbraw/zinc/90/34/12/563903412.db2.gz SAIPLCBEXLQQNO-BBWFWOEESA-N 2 0 313.445 2.978 50 0 DFAARP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000245343899 398381909 /nfs/dbraw/zinc/38/19/09/398381909.db2.gz WJIJBPIVNYPBCD-ROUUACIJSA-N 2 0 310.445 2.897 50 0 DFAARP S=C1N(C[NH+]2CCCCCC2)CCN1C[NH+]1CCCCCC1 ZINC000000333378 180760747 /nfs/dbraw/zinc/76/07/47/180760747.db2.gz BUEJIKAWFIECME-UHFFFAOYSA-N 2 0 324.538 2.556 50 0 DFAARP C[NH+](C)Cc1ccc([C@@H]2CC[C@@H](c3ccc(C[NH+](C)C)[nH]3)[NH2+]2)[nH]1 ZINC000006378961 181335869 /nfs/dbraw/zinc/33/58/69/181335869.db2.gz SFXBYWGDODJASS-ROUUACIJSA-N 3 0 315.465 2.632 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000262676379 203378537 /nfs/dbraw/zinc/37/85/37/203378537.db2.gz SAQLQJUSLYCNRT-MVJTYMMSSA-N 2 0 317.477 2.511 50 0 DFAARP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000187975753 399162503 /nfs/dbraw/zinc/16/25/03/399162503.db2.gz JWLGATTWNVIPRV-PMACEKPBSA-N 2 0 316.489 2.791 50 0 DFAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000058231835 184092242 /nfs/dbraw/zinc/09/22/42/184092242.db2.gz USGRYGAYDGZSOJ-KRWDZBQOSA-N 2 0 318.465 2.566 50 0 DFAARP C[N@@H+]1CCCN(c2ncccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000215853787 542874225 /nfs/dbraw/zinc/87/42/25/542874225.db2.gz AXYDLHUSDKDTQX-QGZVFWFLSA-N 2 0 314.477 2.669 50 0 DFAARP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052506 146327421 /nfs/dbraw/zinc/32/74/21/146327421.db2.gz QJXIXKLUFJQZKM-APWZRJJASA-N 2 0 312.461 2.809 50 0 DFAARP CCOc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1C[NH+](C)C ZINC000670447555 544042170 /nfs/dbraw/zinc/04/21/70/544042170.db2.gz QDDHPFLPOYRGMG-INIZCTEOSA-N 2 0 306.450 2.615 50 0 DFAARP CCCSc1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067678922 425912250 /nfs/dbraw/zinc/91/22/50/425912250.db2.gz WBEWGFJEPLAQIT-UHFFFAOYSA-N 2 0 306.479 2.554 50 0 DFAARP Cc1nc(NCC[NH+]2CCCCCC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067789595 425913418 /nfs/dbraw/zinc/91/34/18/425913418.db2.gz HNIOVUGTFYWSMP-MRXNPFEDSA-N 2 0 317.481 2.540 50 0 DFAARP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000069348729 425935766 /nfs/dbraw/zinc/93/57/66/425935766.db2.gz NDNPURAVIIWBEG-UHFFFAOYSA-N 2 0 315.461 2.823 50 0 DFAARP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000008377063 425666926 /nfs/dbraw/zinc/66/69/26/425666926.db2.gz JHRNDSFYCQKUQB-UHFFFAOYSA-N 2 0 314.429 2.973 50 0 DFAARP Cc1ncc(C[N@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n1C ZINC000011664249 425710816 /nfs/dbraw/zinc/71/08/16/425710816.db2.gz NYPJELBGZLRNJU-SFHVURJKSA-N 2 0 318.509 2.918 50 0 DFAARP O[C@@H](C[NH+]1CCC(C[NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000069486007 425941974 /nfs/dbraw/zinc/94/19/74/425941974.db2.gz HLCKUPPGWFAZQI-IBGZPJMESA-N 2 0 302.462 2.964 50 0 DFAARP O[C@H](C[NH+]1CCC(C[NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000069486005 425942160 /nfs/dbraw/zinc/94/21/60/425942160.db2.gz HLCKUPPGWFAZQI-LJQANCHMSA-N 2 0 302.462 2.964 50 0 DFAARP Cc1cc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc(C)[nH+]1 ZINC000096159951 426403160 /nfs/dbraw/zinc/40/31/60/426403160.db2.gz MQBDUMLJGLYSEF-QGZVFWFLSA-N 2 0 316.493 2.551 50 0 DFAARP CC[N@H+](Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000215191644 426549353 /nfs/dbraw/zinc/54/93/53/426549353.db2.gz IIXIUOPXUUAVKW-RTBURBONSA-N 2 0 320.477 2.752 50 0 DFAARP CSCC[NH+]1CCN(Cc2cccc([C@@H](C)[NH+](C)C)c2)CC1 ZINC000216124397 426556517 /nfs/dbraw/zinc/55/65/17/426556517.db2.gz YAWQMCJEBREGLC-MRXNPFEDSA-N 2 0 321.534 2.790 50 0 DFAARP C[NH+]1CCC(N2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000244874284 426728108 /nfs/dbraw/zinc/72/81/08/426728108.db2.gz WYGYCTLJQPBISB-RBUKOAKNSA-N 2 0 305.510 2.810 50 0 DFAARP Cc1ncccc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190473102 427118774 /nfs/dbraw/zinc/11/87/74/427118774.db2.gz VRGXSAIGDXMSSR-SFHVURJKSA-N 2 0 310.445 2.739 50 0 DFAARP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000097104769 275914117 /nfs/dbraw/zinc/91/41/17/275914117.db2.gz XRZSXCOXCFAURY-OALUTQOASA-N 2 0 305.510 2.692 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000191065990 323234165 /nfs/dbraw/zinc/23/41/65/323234165.db2.gz AYVLCJGFSDWJCR-QRVBRYPASA-N 2 0 305.510 2.691 50 0 DFAARP Fc1ccc(N2CC[C@@H]([NH2+]CC3(Cn4ccnc4)CC3)C2)cc1 ZINC000534664772 334318537 /nfs/dbraw/zinc/31/85/37/334318537.db2.gz VAIIJGXJZMTSML-MRXNPFEDSA-N 2 0 314.408 2.671 50 0 DFAARP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419076 185359908 /nfs/dbraw/zinc/35/99/08/185359908.db2.gz UCXAVMJGMOOOLO-AEFFLSMTSA-N 2 0 304.482 2.906 50 0 DFAARP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H]2CC=CCC2)c2ccccc2)CC1 ZINC000095433967 185363947 /nfs/dbraw/zinc/36/39/47/185363947.db2.gz OGIZMDDIMBLSEN-QUCCMNQESA-N 2 0 313.489 2.921 50 0 DFAARP CC[C@@H]1CN(Cc2[nH+]c(C)n3ccccc23)CC[N@@H+]1C(C)C ZINC000072164032 191064210 /nfs/dbraw/zinc/06/42/10/191064210.db2.gz MOKMKLQVPFIGCW-MRXNPFEDSA-N 2 0 300.450 2.947 50 0 DFAARP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091468227 193060814 /nfs/dbraw/zinc/06/08/14/193060814.db2.gz VSNBBHKUVRGNQX-WOJBJXKFSA-N 2 0 312.457 2.832 50 0 DFAARP CCN(CC[NH+](C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000019636739 182134598 /nfs/dbraw/zinc/13/45/98/182134598.db2.gz HRQBFEOQIQNCAL-UHFFFAOYSA-N 2 0 303.494 2.577 50 0 DFAARP [NH3+]CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019736940 182140933 /nfs/dbraw/zinc/14/09/33/182140933.db2.gz VYYOIRFXORRYKC-UHFFFAOYSA-N 2 0 309.457 2.742 50 0 DFAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OC(C)C ZINC000040719578 183123786 /nfs/dbraw/zinc/12/37/86/183123786.db2.gz ABNZWEZVYXHISJ-UHFFFAOYSA-N 2 0 306.450 2.962 50 0 DFAARP CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1Br ZINC000057388069 184036960 /nfs/dbraw/zinc/03/69/60/184036960.db2.gz TXSDWOYVYAKWFL-UHFFFAOYSA-N 2 0 301.228 2.547 50 0 DFAARP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031589 158115790 /nfs/dbraw/zinc/11/57/90/158115790.db2.gz YKYQELFZTIEMET-ZYSHUDEJSA-N 2 0 318.436 2.808 50 0 DFAARP C([NH2+]C1CSCCSC1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000065372266 425902739 /nfs/dbraw/zinc/90/27/39/425902739.db2.gz WGOWASJIECNLSL-DZGCQCFKSA-N 2 0 300.537 2.689 50 0 DFAARP Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1[C@@H]1CC[NH2+]C1 ZINC000067934830 425915084 /nfs/dbraw/zinc/91/50/84/425915084.db2.gz LPTXBGLMYMGJGH-OAHLLOKOSA-N 2 0 305.385 2.715 50 0 DFAARP c1cn(-c2ccc(C[NH2+]C[C@H]3COc4ccccc4O3)cc2)cn1 ZINC000008706494 425672405 /nfs/dbraw/zinc/67/24/05/425672405.db2.gz YHLZUUFFANPDNE-KRWDZBQOSA-N 2 0 321.380 2.802 50 0 DFAARP C/C(=C/c1ccccc1)C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000104060639 425957576 /nfs/dbraw/zinc/95/75/76/425957576.db2.gz LVSNHZBXVIYUIM-TXQCQQFXSA-N 2 0 302.462 2.772 50 0 DFAARP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000108370468 426015773 /nfs/dbraw/zinc/01/57/73/426015773.db2.gz YRWGLXCCXODRIQ-IEBWSBKVSA-N 2 0 318.461 2.628 50 0 DFAARP C[C@H](C1CC[NH+](Cc2cccc(F)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077391403 426131974 /nfs/dbraw/zinc/13/19/74/426131974.db2.gz AIQHOHTWWVWKSD-MRXNPFEDSA-N 2 0 319.468 2.674 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(SC)cc3)C2)CC1 ZINC000171530018 426192893 /nfs/dbraw/zinc/19/28/93/426192893.db2.gz GCCLHZGPQVRAAP-QGZVFWFLSA-N 2 0 319.518 2.620 50 0 DFAARP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000089314321 426286145 /nfs/dbraw/zinc/28/61/45/426286145.db2.gz ONIDLISIKWGMSR-MRXNPFEDSA-N 2 0 307.507 2.741 50 0 DFAARP c1ccc(C[NH+]2CCCCCC2)c(CNC2=[NH+]CCCN2)c1 ZINC000095958917 426377647 /nfs/dbraw/zinc/37/76/47/426377647.db2.gz XHWBDUBCIOWHMN-UHFFFAOYSA-N 2 0 300.450 2.502 50 0 DFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000095967073 426379652 /nfs/dbraw/zinc/37/96/52/426379652.db2.gz WVHQVHABHLBNEB-GDBMZVCRSA-N 2 0 306.450 2.566 50 0 DFAARP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419589 426419568 /nfs/dbraw/zinc/41/95/68/426419568.db2.gz ROIRRISWIXKVFP-WMLDXEAASA-N 2 0 313.445 2.833 50 0 DFAARP CC[N@@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124177797 426473509 /nfs/dbraw/zinc/47/35/09/426473509.db2.gz YMDGUXUPAUXURQ-IBGZPJMESA-N 3 0 315.505 2.625 50 0 DFAARP [NH3+]CC[C@@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CCO1 ZINC000216170223 426558849 /nfs/dbraw/zinc/55/88/49/426558849.db2.gz XQXJTICYXFHXLW-LJQANCHMSA-N 2 0 310.441 2.868 50 0 DFAARP C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000240551526 426715641 /nfs/dbraw/zinc/71/56/41/426715641.db2.gz GUKIXORTYCIUMN-HKUYNNGSSA-N 2 0 301.478 2.582 50 0 DFAARP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccn2)CC1 ZINC000244719156 426726898 /nfs/dbraw/zinc/72/68/98/426726898.db2.gz LXZHUIYGEAFTGD-QGZVFWFLSA-N 2 0 303.450 2.547 50 0 DFAARP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245339160 426732612 /nfs/dbraw/zinc/73/26/12/426732612.db2.gz QYQJTWSPPULTRS-WMLDXEAASA-N 2 0 323.506 2.589 50 0 DFAARP [NH3+]CCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299766850 427767708 /nfs/dbraw/zinc/76/77/08/427767708.db2.gz SOXNJKCXKLPFSL-XHSDSOJGSA-N 2 0 312.417 2.654 50 0 DFAARP CC1(C)C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C(C)(C)O1 ZINC000253426014 278388144 /nfs/dbraw/zinc/38/81/44/278388144.db2.gz XKXLZOCNGMHBBN-INIZCTEOSA-N 2 0 303.450 2.986 50 0 DFAARP C[NH+]1CCC(C[NH2+]C(C2CC2)C2CC2)(N2CCCCC2)CC1 ZINC000095423388 289878406 /nfs/dbraw/zinc/87/84/06/289878406.db2.gz SOWHVXPTWFQXIM-UHFFFAOYSA-N 2 0 305.510 2.715 50 0 DFAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534590722 334294014 /nfs/dbraw/zinc/29/40/14/334294014.db2.gz KMBLNJMYFSOFNT-OAHLLOKOSA-N 2 0 321.896 2.597 50 0 DFAARP CC[NH+]1CCC(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000003683619 398348561 /nfs/dbraw/zinc/34/85/61/398348561.db2.gz FCNOVTQGQFZVAA-UHFFFAOYSA-N 2 0 301.478 2.725 50 0 DFAARP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522493 185300289 /nfs/dbraw/zinc/30/02/89/185300289.db2.gz BTZSJBQSCWPDMS-LZQZEXGQSA-N 2 0 320.477 2.958 50 0 DFAARP C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000095391666 185351783 /nfs/dbraw/zinc/35/17/83/185351783.db2.gz CORKSQAHJALGIA-MRXNPFEDSA-N 2 0 313.449 2.614 50 0 DFAARP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000095419537 185359674 /nfs/dbraw/zinc/35/96/74/185359674.db2.gz JUUGNWICZUOLRR-UXHICEINSA-N 2 0 315.505 2.625 50 0 DFAARP c1coc([C@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)c1 ZINC000095419199 185359762 /nfs/dbraw/zinc/35/97/62/185359762.db2.gz VTJRCDYHBNJBTK-SFHVURJKSA-N 2 0 317.477 2.881 50 0 DFAARP COc1ccc2[nH]c(CC[NH2+]C3CSCCSC3)nc2c1 ZINC000584899544 398430063 /nfs/dbraw/zinc/43/00/63/398430063.db2.gz YKJULQFUKNRRRW-UHFFFAOYSA-N 2 0 323.487 2.552 50 0 DFAARP OCC[C@H](C[NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000585134894 398434363 /nfs/dbraw/zinc/43/43/63/398434363.db2.gz OIANEYHZGCFXAG-QRVBRYPASA-N 2 0 302.462 2.759 50 0 DFAARP CN1CC[NH+](CCC(C[NH3+])(c2ccccc2)c2ccccc2)CC1 ZINC000071770706 191030313 /nfs/dbraw/zinc/03/03/13/191030313.db2.gz LIYFTLBOEBDOEC-UHFFFAOYSA-N 2 0 323.484 2.569 50 0 DFAARP c1cnn(Cc2ccccc2C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000072122536 191040739 /nfs/dbraw/zinc/04/07/39/191040739.db2.gz MTKMQRBBYWWDAI-UHFFFAOYSA-N 2 0 324.472 2.897 50 0 DFAARP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188037767 186247742 /nfs/dbraw/zinc/24/77/42/186247742.db2.gz ULQKLXBNQFWOSW-HZPDHXFCSA-N 2 0 320.452 2.847 50 0 DFAARP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004325891 181097883 /nfs/dbraw/zinc/09/78/83/181097883.db2.gz ASIXXJPWMHNLIN-IJEWVQPXSA-N 2 0 306.450 2.565 50 0 DFAARP c1ccc2c(c1)CNCCC[NH2+]Cc1ccccc1OCCO2 ZINC000004521369 181119488 /nfs/dbraw/zinc/11/94/88/181119488.db2.gz CHCYHXIUMOKQRL-UHFFFAOYSA-N 2 0 312.413 2.727 50 0 DFAARP c1cc2c(cccc2C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC000076762921 398869069 /nfs/dbraw/zinc/86/90/69/398869069.db2.gz CSUDGNJKODTANJ-HNNXBMFYSA-N 2 0 313.445 2.758 50 0 DFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCO)CC2)C1 ZINC000091585939 193075806 /nfs/dbraw/zinc/07/58/06/193075806.db2.gz ABESPZMGUGLDLE-GOSISDBHSA-N 2 0 302.462 2.570 50 0 DFAARP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000091847876 193116911 /nfs/dbraw/zinc/11/69/11/193116911.db2.gz CYLMNFMQWGXSLO-HNNXBMFYSA-N 2 0 315.396 2.755 50 0 DFAARP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000093133035 193204889 /nfs/dbraw/zinc/20/48/89/193204889.db2.gz KKYQDZSTCJLVRW-IBGZPJMESA-N 2 0 301.478 2.515 50 0 DFAARP C[NH2+]CCC[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040719688 183123471 /nfs/dbraw/zinc/12/34/71/183123471.db2.gz JKMXFSOGLVXBCC-UHFFFAOYSA-N 2 0 315.255 2.935 50 0 DFAARP C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCCCC1)CC2 ZINC000065394420 184334378 /nfs/dbraw/zinc/33/43/78/184334378.db2.gz QPZCVIVSEYIXTG-UHFFFAOYSA-N 2 0 321.509 2.587 50 0 DFAARP CC/C=C\CC[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@H+](C)C[C@@H]12 ZINC000065395602 184335286 /nfs/dbraw/zinc/33/52/86/184335286.db2.gz KZHCESSOGJYCQQ-JUHUJRHYSA-N 2 0 314.473 2.770 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000408525477 257254449 /nfs/dbraw/zinc/25/44/49/257254449.db2.gz BVOLCGBVDLOIJH-NXHRZFHOSA-N 2 0 317.477 2.655 50 0 DFAARP C[N@@H+](Cc1cc(-c2ccncc2)no1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000243885903 257259374 /nfs/dbraw/zinc/25/93/74/257259374.db2.gz ADQWVSVCAOQXTR-OTVXOJSOSA-N 2 0 300.406 2.686 50 0 DFAARP C[NH+]1CCN(c2ccccc2CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000058411502 425897835 /nfs/dbraw/zinc/89/78/35/425897835.db2.gz OWMNGRTTZUBBTC-UHFFFAOYSA-N 2 0 323.444 2.575 50 0 DFAARP Cc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000067384804 425909940 /nfs/dbraw/zinc/90/99/40/425909940.db2.gz OJTADSOESYWMFG-MRXNPFEDSA-N 2 0 311.433 2.691 50 0 DFAARP C/C=C/CC(=O)NC[C@@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067696476 425912827 /nfs/dbraw/zinc/91/28/27/425912827.db2.gz JVATXDMYAIMOLD-LFAOLKIESA-N 2 0 321.509 2.700 50 0 DFAARP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)n1ccnc1 ZINC000068385348 425917515 /nfs/dbraw/zinc/91/75/15/425917515.db2.gz ZJGTZWDAOWDFGC-LSDHHAIUSA-N 2 0 314.433 2.690 50 0 DFAARP C[NH+](C)Cc1ccc([C@H]2CC[C@H](c3ccc(C[NH+](C)C)[nH]3)[NH2+]2)[nH]1 ZINC000002519584 425595514 /nfs/dbraw/zinc/59/55/14/425595514.db2.gz SFXBYWGDODJASS-QZTJIDSGSA-N 3 0 315.465 2.632 50 0 DFAARP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000071915920 426004198 /nfs/dbraw/zinc/00/41/98/426004198.db2.gz AUYRJVQDBAUUJF-GOSISDBHSA-N 2 0 321.509 2.655 50 0 DFAARP C/C(=C\c1ccccc1)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000071924531 426005528 /nfs/dbraw/zinc/00/55/28/426005528.db2.gz YTAAHHXUXJEHBU-SAPNQHFASA-N 2 0 301.478 2.706 50 0 DFAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cccc3nonc32)CC1 ZINC000077377527 426130686 /nfs/dbraw/zinc/13/06/86/426130686.db2.gz GCWPPYSAXWEMES-UHFFFAOYSA-N 2 0 323.400 2.639 50 0 DFAARP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](CCCc2ccccc2)C1 ZINC000077392551 426132228 /nfs/dbraw/zinc/13/22/28/426132228.db2.gz UMVOMNBAIUVZSY-IBGZPJMESA-N 2 0 302.462 2.542 50 0 DFAARP CC(C)C[C@H](O)C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000077422195 426133435 /nfs/dbraw/zinc/13/34/35/426133435.db2.gz JVKVXKHAZPCASB-IBGZPJMESA-N 2 0 304.478 2.807 50 0 DFAARP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000097109392 426450566 /nfs/dbraw/zinc/45/05/66/426450566.db2.gz XRZSXCOXCFAURY-RBUKOAKNSA-N 2 0 305.510 2.692 50 0 DFAARP CC(C)OCCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328606896 527937937 /nfs/dbraw/zinc/93/79/37/527937937.db2.gz TWNRRSRBQMACFQ-SFHVURJKSA-N 2 0 305.466 2.841 50 0 DFAARP O[C@H](COc1ccccc1C[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000095504470 185375235 /nfs/dbraw/zinc/37/52/35/185375235.db2.gz VWVZCKPVXDYESS-SFHVURJKSA-N 2 0 318.461 2.508 50 0 DFAARP O[C@H](COc1cccc(C[NH+]2CCC2)c1)C[NH+]1CCCCCC1 ZINC000095507982 185376006 /nfs/dbraw/zinc/37/60/06/185376006.db2.gz NSBDSTOJEANKOZ-SFHVURJKSA-N 2 0 318.461 2.508 50 0 DFAARP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419078 185359720 /nfs/dbraw/zinc/35/97/20/185359720.db2.gz UCXAVMJGMOOOLO-SJLPKXTDSA-N 2 0 304.482 2.906 50 0 DFAARP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H]2CC=CCC2)c2ccccc2)CC1 ZINC000095433966 185364007 /nfs/dbraw/zinc/36/40/07/185364007.db2.gz OGIZMDDIMBLSEN-AZUAARDMSA-N 2 0 313.489 2.921 50 0 DFAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC000072133245 191045692 /nfs/dbraw/zinc/04/56/92/191045692.db2.gz LTSLTKDOQKGWGD-LJQANCHMSA-N 2 0 320.477 2.624 50 0 DFAARP Cc1cccc(C[NH+]2CCN(CC[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000075092791 398785209 /nfs/dbraw/zinc/78/52/09/398785209.db2.gz ONHPUQOXKKLXAS-IBGZPJMESA-N 2 0 315.505 2.845 50 0 DFAARP O[C@H](C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000129445471 398836885 /nfs/dbraw/zinc/83/68/85/398836885.db2.gz GTJAXYJRYRWSDP-BFHYXJOUSA-N 2 0 308.388 2.544 50 0 DFAARP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000169782458 399001237 /nfs/dbraw/zinc/00/12/37/399001237.db2.gz TYFPRRRYRYBDEM-OAHLLOKOSA-N 2 0 320.502 2.807 50 0 DFAARP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000020264078 182200887 /nfs/dbraw/zinc/20/08/87/182200887.db2.gz ASIXXJPWMHNLIN-LZWOXQAQSA-N 2 0 306.450 2.565 50 0 DFAARP COC(=O)CCC1=C(C)/C(=C\c2[nH]cc(CC[NH3+])c2C)[NH+]=C1 ZINC000043760946 183384899 /nfs/dbraw/zinc/38/48/99/183384899.db2.gz MASRCZLLXINOSO-OVCLIPMQSA-N 2 0 301.390 2.519 50 0 DFAARP CCc1nccn1CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067818731 184486941 /nfs/dbraw/zinc/48/69/41/184486941.db2.gz QKHOSAZDLYDRLO-UHFFFAOYSA-N 2 0 304.482 2.738 50 0 DFAARP Cn1cc(CC[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)cn1 ZINC000216078004 542875024 /nfs/dbraw/zinc/87/50/24/542875024.db2.gz SECFJJFEVRTTGZ-UHFFFAOYSA-N 2 0 318.490 2.752 50 0 DFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000221888570 542882920 /nfs/dbraw/zinc/88/29/20/542882920.db2.gz WVHQVHABHLBNEB-GOEBONIOSA-N 2 0 306.450 2.566 50 0 DFAARP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249803600 146206499 /nfs/dbraw/zinc/20/64/99/146206499.db2.gz ASWKPKOETKLQGU-HOTGVXAUSA-N 2 0 324.428 2.843 50 0 DFAARP Cc1ccc(C)c(C[NH2+]C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)c1 ZINC000063835446 425901264 /nfs/dbraw/zinc/90/12/64/425901264.db2.gz VQFPGAZBCKEZPG-RTBURBONSA-N 2 0 302.462 2.772 50 0 DFAARP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012706830 425735707 /nfs/dbraw/zinc/73/57/07/425735707.db2.gz YIDLLDQUTVQDIC-MRXNPFEDSA-N 2 0 309.498 2.632 50 0 DFAARP CC[N@H+](CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011879639 425714771 /nfs/dbraw/zinc/71/47/71/425714771.db2.gz GVVLAJZDQRZSLH-UHFFFAOYSA-N 2 0 320.477 2.876 50 0 DFAARP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030907285 425833677 /nfs/dbraw/zinc/83/36/77/425833677.db2.gz FVYIBSROUCZFGK-GFCCVEGCSA-N 2 0 302.447 2.712 50 0 DFAARP CCCc1cn(C2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000048435994 425875594 /nfs/dbraw/zinc/87/55/94/425875594.db2.gz SNJORCITVMZDHS-UHFFFAOYSA-N 2 0 319.497 2.740 50 0 DFAARP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc[nH+]1 ZINC000170614932 426140728 /nfs/dbraw/zinc/14/07/28/426140728.db2.gz CYZKRDVCZNCSKJ-IBGZPJMESA-N 2 0 311.429 2.959 50 0 DFAARP C[NH+](C)CCCn1ccnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000095385941 426371040 /nfs/dbraw/zinc/37/10/40/426371040.db2.gz ARADJSAJJXHAMX-UHFFFAOYSA-N 2 0 313.449 2.614 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000123182707 426418877 /nfs/dbraw/zinc/41/88/77/426418877.db2.gz LAUJSBMOOWSDJT-UHFFFAOYSA-N 2 0 321.431 2.725 50 0 DFAARP CCC[NH+]1CCC(C[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000097081021 426445756 /nfs/dbraw/zinc/44/57/56/426445756.db2.gz KGRJANQBVSZFJK-UHFFFAOYSA-N 2 0 322.522 2.824 50 0 DFAARP CCc1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CC[NH+](C)CC2)o1 ZINC000216257199 426558283 /nfs/dbraw/zinc/55/82/83/426558283.db2.gz YRTGDLCTPLHNGC-QGZVFWFLSA-N 2 0 319.493 2.834 50 0 DFAARP Cn1ccnc1[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C1CC1 ZINC000067757440 303003337 /nfs/dbraw/zinc/00/33/37/303003337.db2.gz NSYPHMUPIYNNIK-MRXNPFEDSA-N 2 0 302.466 2.773 50 0 DFAARP CC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000534670846 334319977 /nfs/dbraw/zinc/31/99/77/334319977.db2.gz UUOPSDMXHATCIM-HNNXBMFYSA-N 2 0 305.441 2.726 50 0 DFAARP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000095419538 185359680 /nfs/dbraw/zinc/35/96/80/185359680.db2.gz JUUGNWICZUOLRR-VQTJNVASSA-N 2 0 315.505 2.625 50 0 DFAARP c1coc([C@@H](CNC2CC[NH+](CC3CC3)CC2)[NH+]2CCCC2)c1 ZINC000095419198 185359822 /nfs/dbraw/zinc/35/98/22/185359822.db2.gz VTJRCDYHBNJBTK-GOSISDBHSA-N 2 0 317.477 2.881 50 0 DFAARP CN([C@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457099 185370341 /nfs/dbraw/zinc/37/03/41/185370341.db2.gz MDYHGELKQSERGN-FQEVSTJZSA-N 2 0 313.489 2.820 50 0 DFAARP OCC[C@H](C[NH2+][C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000585134895 398434256 /nfs/dbraw/zinc/43/42/56/398434256.db2.gz OIANEYHZGCFXAG-QYZOEREBSA-N 2 0 302.462 2.759 50 0 DFAARP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000072170444 191068076 /nfs/dbraw/zinc/06/80/76/191068076.db2.gz VJJZEAFTQJQKSN-LJQANCHMSA-N 2 0 312.461 2.848 50 0 DFAARP C=Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000253394536 186304075 /nfs/dbraw/zinc/30/40/75/186304075.db2.gz ZYXGOHOCXPAYHK-VAMGGRTRSA-N 2 0 322.456 2.984 50 0 DFAARP C=Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000253394550 186304108 /nfs/dbraw/zinc/30/41/08/186304108.db2.gz ZYXGOHOCXPAYHK-XUVXKRRUSA-N 2 0 322.456 2.984 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000075602840 398812868 /nfs/dbraw/zinc/81/28/68/398812868.db2.gz CCEAIHCMROPQSF-KXBFYZLASA-N 2 0 302.462 2.746 50 0 DFAARP COC[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)CC12CC[NH2+]CC2 ZINC000169789807 399000709 /nfs/dbraw/zinc/00/07/09/399000709.db2.gz ACUOTYDIHGLAFI-MRXNPFEDSA-N 2 0 313.445 2.616 50 0 DFAARP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000091847879 193117127 /nfs/dbraw/zinc/11/71/27/193117127.db2.gz CYLMNFMQWGXSLO-OAHLLOKOSA-N 2 0 315.396 2.755 50 0 DFAARP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019789910 182149383 /nfs/dbraw/zinc/14/93/83/182149383.db2.gz AGYRXUZTFBOLMO-UHFFFAOYSA-N 2 0 301.478 2.677 50 0 DFAARP Cc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)c(-n2cccn2)c1 ZINC000065386303 184333354 /nfs/dbraw/zinc/33/33/54/184333354.db2.gz ZLWVAAIHKCTSNU-SJORKVTESA-N 2 0 310.445 2.815 50 0 DFAARP c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2cccc3nonc32)cn1 ZINC000216069966 542874519 /nfs/dbraw/zinc/87/45/19/542874519.db2.gz GZIXWGVYJKTUAM-HNNXBMFYSA-N 2 0 311.389 2.864 50 0 DFAARP CCc1ccccc1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220392390 542881345 /nfs/dbraw/zinc/88/13/45/542881345.db2.gz HMLVTLAXHYJXCU-UHFFFAOYSA-N 2 0 316.489 2.919 50 0 DFAARP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031547 158115315 /nfs/dbraw/zinc/11/53/15/158115315.db2.gz YKYQELFZTIEMET-AYOQOUSVSA-N 2 0 318.436 2.808 50 0 DFAARP CSC(C)(C)C[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000670445175 544040857 /nfs/dbraw/zinc/04/08/57/544040857.db2.gz MLDFHGCAYTYFSR-AWEZNQCLSA-N 2 0 301.544 2.522 50 0 DFAARP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)o1 ZINC000067603934 425911805 /nfs/dbraw/zinc/91/18/05/425911805.db2.gz ZWNAQRVNRIVFCL-INIZCTEOSA-N 2 0 319.493 2.793 50 0 DFAARP C/C=C/CC(=O)NC[C@H]1CC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067696479 425912770 /nfs/dbraw/zinc/91/27/70/425912770.db2.gz JVATXDMYAIMOLD-LQYUOIDQSA-N 2 0 321.509 2.700 50 0 DFAARP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(F)c(Cl)c1 ZINC000069810216 425958603 /nfs/dbraw/zinc/95/86/03/425958603.db2.gz KESJUSRSOHJEIR-LBPRGKRZSA-N 2 0 314.832 2.834 50 0 DFAARP CC(C)C[C@@H](O)C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000077422200 426132759 /nfs/dbraw/zinc/13/27/59/426132759.db2.gz JVKVXKHAZPCASB-LJQANCHMSA-N 2 0 304.478 2.807 50 0 DFAARP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccsc3)cc2)CC1 ZINC000078553940 426174544 /nfs/dbraw/zinc/17/45/44/426174544.db2.gz WKVLIJHLOFUBAX-UHFFFAOYSA-N 2 0 316.470 2.995 50 0 DFAARP Cc1c[nH+]ccc1N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095363895 426367987 /nfs/dbraw/zinc/36/79/87/426367987.db2.gz YBQUUEFFHFGZNZ-INIZCTEOSA-N 2 0 313.449 2.532 50 0 DFAARP CC(C)Oc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000244574817 426724311 /nfs/dbraw/zinc/72/43/11/426724311.db2.gz CRYPQZOHJYCKGH-HWWDLCQESA-N 2 0 304.434 2.522 50 0 DFAARP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000248051499 426978150 /nfs/dbraw/zinc/97/81/50/426978150.db2.gz XMLCYXIZXQJSCG-SJLPKXTDSA-N 2 0 317.477 2.526 50 0 DFAARP C[NH+](C)CC[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000299765779 427767903 /nfs/dbraw/zinc/76/79/03/427767903.db2.gz ASSFBVQCISCECV-GOSISDBHSA-N 2 0 317.477 2.672 50 0 DFAARP CC(C)C[NH+]1CCC(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000065382718 277386044 /nfs/dbraw/zinc/38/60/44/277386044.db2.gz QDFGIZOPAFMLRK-PKOBYXMFSA-N 2 0 307.526 2.961 50 0 DFAARP C[C@H]1OC2(C[C@@H]1[NH2+]CCCNc1ccccc1)CC[NH+](C)CC2 ZINC000685940761 546412415 /nfs/dbraw/zinc/41/24/15/546412415.db2.gz UGJBAEAXWIDIIO-AEFFLSMTSA-N 2 0 317.477 2.720 50 0 DFAARP Cc1ccc(SCCC[N@@H+](C)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072470288 191176109 /nfs/dbraw/zinc/17/61/09/191176109.db2.gz PTNUWEOOIFSFLX-QGZVFWFLSA-N 2 0 308.491 2.524 50 0 DFAARP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)C1 ZINC000237675258 202325225 /nfs/dbraw/zinc/32/52/25/202325225.db2.gz XXGJGQSCFUQXPG-INIZCTEOSA-N 2 0 312.461 2.942 50 0 DFAARP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cccs1)CC2 ZINC000169782457 399000750 /nfs/dbraw/zinc/00/07/50/399000750.db2.gz TYFPRRRYRYBDEM-HNNXBMFYSA-N 2 0 320.502 2.807 50 0 DFAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000169789836 399001619 /nfs/dbraw/zinc/00/16/19/399001619.db2.gz VOFNDFIPYDRLBS-HNNXBMFYSA-N 2 0 308.491 2.847 50 0 DFAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000169789831 399001949 /nfs/dbraw/zinc/00/19/49/399001949.db2.gz CDSQBRCXGOMTDS-OAHLLOKOSA-N 2 0 324.415 2.755 50 0 DFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCCO)CC2)C1 ZINC000091305750 193036324 /nfs/dbraw/zinc/03/63/24/193036324.db2.gz OZJWTPLRZXWCQF-LJQANCHMSA-N 2 0 316.489 2.960 50 0 DFAARP C[C@@H](c1cccc(-c2cn(CC[NH+]3CCCC3)nn2)c1)[NH+](C)C ZINC000091781755 193107072 /nfs/dbraw/zinc/10/70/72/193107072.db2.gz ASYSUVIKFJOMDY-HNNXBMFYSA-N 2 0 313.449 2.664 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000093133034 193205144 /nfs/dbraw/zinc/20/51/44/193205144.db2.gz KKYQDZSTCJLVRW-LJQANCHMSA-N 2 0 301.478 2.515 50 0 DFAARP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000042229198 183245034 /nfs/dbraw/zinc/24/50/34/183245034.db2.gz BONKLBYUGNBZOC-ZDUSSCGKSA-N 2 0 314.408 2.790 50 0 DFAARP CCc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)s1 ZINC000426409582 257250766 /nfs/dbraw/zinc/25/07/66/257250766.db2.gz YJFDXGIAFZDZIT-UHFFFAOYSA-N 2 0 307.507 2.570 50 0 DFAARP Cc1cccc(C[N@H+](C[C@@]2(O)CC[NH2+]C2)C2CCCCC2)c1 ZINC000072408600 257270838 /nfs/dbraw/zinc/27/08/38/257270838.db2.gz XWCYVEWBDPRFTL-LJQANCHMSA-N 2 0 302.462 2.854 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000092746530 542549826 /nfs/dbraw/zinc/54/98/26/542549826.db2.gz LCBRGSCNJOIDEV-AOIWGVFYSA-N 2 0 307.526 2.818 50 0 DFAARP Cn1ccnc1[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)C1CC1 ZINC000067757442 425912978 /nfs/dbraw/zinc/91/29/78/425912978.db2.gz NSYPHMUPIYNNIK-INIZCTEOSA-N 2 0 302.466 2.773 50 0 DFAARP C[N@@H+]1CCC[C@@H](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000067982568 425915194 /nfs/dbraw/zinc/91/51/94/425915194.db2.gz SYGKHFSAHYERPE-HNNXBMFYSA-N 2 0 323.525 2.781 50 0 DFAARP O=C(CCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000067966392 425915279 /nfs/dbraw/zinc/91/52/79/425915279.db2.gz DNKMXLACGMUUEC-KRWDZBQOSA-N 2 0 300.446 2.652 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000069349874 425935827 /nfs/dbraw/zinc/93/58/27/425935827.db2.gz JNOBZLHWFKZVKW-LBPRGKRZSA-N 2 0 314.832 2.662 50 0 DFAARP COc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000010434566 425701369 /nfs/dbraw/zinc/70/13/69/425701369.db2.gz BXRGEHKKEUAYGJ-UHFFFAOYSA-N 2 0 313.239 2.547 50 0 DFAARP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030907283 425833157 /nfs/dbraw/zinc/83/31/57/425833157.db2.gz FVYIBSROUCZFGK-LBPRGKRZSA-N 2 0 302.447 2.712 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348301 426014200 /nfs/dbraw/zinc/01/42/00/426014200.db2.gz OYWBNEVZRPDTGU-UYAOXDASSA-N 2 0 315.505 2.720 50 0 DFAARP Cc1ccc([C@@H](CNc2nc(N)[nH+]c3c2CCCC3)[NH+](C)C)o1 ZINC000095358889 426368075 /nfs/dbraw/zinc/36/80/75/426368075.db2.gz IDOPWGOFSQCHFF-CQSZACIVSA-N 2 0 315.421 2.554 50 0 DFAARP C[NH2+]CC1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000097095614 426448786 /nfs/dbraw/zinc/44/87/86/426448786.db2.gz BHKKCDZBCSTITJ-UHFFFAOYSA-N 2 0 312.461 2.921 50 0 DFAARP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000097200843 426457708 /nfs/dbraw/zinc/45/77/08/426457708.db2.gz BUKLTPQHNBCAAP-HNNXBMFYSA-N 2 0 300.406 2.929 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)c(C)o2)[C@@H](C)C1 ZINC000230194118 426646461 /nfs/dbraw/zinc/64/64/61/426646461.db2.gz OOVPAUSPEWBZET-LRDDRELGSA-N 2 0 308.422 2.537 50 0 DFAARP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000239672602 426713464 /nfs/dbraw/zinc/71/34/64/426713464.db2.gz BTZSJBQSCWPDMS-AYOQOUSVSA-N 2 0 320.477 2.958 50 0 DFAARP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000371472040 428393012 /nfs/dbraw/zinc/39/30/12/428393012.db2.gz XVPLBMQGHBMZMW-IPMKNSEASA-N 2 0 302.462 2.987 50 0 DFAARP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031568 275057448 /nfs/dbraw/zinc/05/74/48/275057448.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 2 0 318.436 2.808 50 0 DFAARP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000097287839 277212012 /nfs/dbraw/zinc/21/20/12/277212012.db2.gz UTBJCWWWAWXGDD-UHFFFAOYSA-N 2 0 315.255 2.507 50 0 DFAARP OC[C@H]1CCCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000000757724 398346271 /nfs/dbraw/zinc/34/62/71/398346271.db2.gz OMZWBQCUDFGCOD-LJQANCHMSA-N 2 0 302.462 2.540 50 0 DFAARP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@@]1(c2ccccc2)CC1(C)C ZINC000072121557 191040748 /nfs/dbraw/zinc/04/07/48/191040748.db2.gz OMFWABXWSYDDCQ-HXUWFJFHSA-N 2 0 324.472 2.786 50 0 DFAARP CCCSc1ncc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000072126413 191041957 /nfs/dbraw/zinc/04/19/57/191041957.db2.gz HQLAGJZMXCGWDS-UHFFFAOYSA-N 2 0 320.506 2.944 50 0 DFAARP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188037695 186247567 /nfs/dbraw/zinc/24/75/67/186247567.db2.gz ULQKLXBNQFWOSW-HOTGVXAUSA-N 2 0 320.452 2.847 50 0 DFAARP Cc1cccc(C[NH+]2CCN(CC[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000075092792 398785160 /nfs/dbraw/zinc/78/51/60/398785160.db2.gz ONHPUQOXKKLXAS-LJQANCHMSA-N 2 0 315.505 2.845 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000075602845 398812540 /nfs/dbraw/zinc/81/25/40/398812540.db2.gz CCEAIHCMROPQSF-BEFAXECRSA-N 2 0 302.462 2.746 50 0 DFAARP Cc1cc(NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091474433 193061701 /nfs/dbraw/zinc/06/17/01/193061701.db2.gz UKIUDWJCQLIJMK-INIZCTEOSA-N 2 0 311.433 2.691 50 0 DFAARP c1ccc(CC[NH+]2CCC(NCC[NH+]3CCCCC3)CC2)cc1 ZINC000022455664 182321917 /nfs/dbraw/zinc/32/19/17/182321917.db2.gz AFOYOSZCHNNUIA-UHFFFAOYSA-N 2 0 315.505 2.769 50 0 DFAARP Cc1cc(C[N@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)oc1C ZINC000023374237 182358181 /nfs/dbraw/zinc/35/81/81/182358181.db2.gz XCBHJFWHFDHHPW-KRWDZBQOSA-N 2 0 307.482 2.744 50 0 DFAARP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000244594246 257259562 /nfs/dbraw/zinc/25/95/62/257259562.db2.gz DJGITFYYFWKBPK-WOVMCDHWSA-N 2 0 305.441 2.855 50 0 DFAARP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000221762321 542882308 /nfs/dbraw/zinc/88/23/08/542882308.db2.gz NOBONNGYUUDDDU-JAZQRGJZSA-N 2 0 314.473 2.648 50 0 DFAARP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000371472035 150051201 /nfs/dbraw/zinc/05/12/01/150051201.db2.gz XVPLBMQGHBMZMW-CEXWTWQISA-N 2 0 302.462 2.987 50 0 DFAARP CCCc1cn(C2CC[NH+](C[C@H]3CCC[N@H+](CC)C3)CC2)nn1 ZINC000055168564 425892203 /nfs/dbraw/zinc/89/22/03/425892203.db2.gz XJCQMNHVHYPWTK-INIZCTEOSA-N 2 0 319.497 2.599 50 0 DFAARP CSC(C)(C)C[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000670445176 544041077 /nfs/dbraw/zinc/04/10/77/544041077.db2.gz MLDFHGCAYTYFSR-CQSZACIVSA-N 2 0 301.544 2.522 50 0 DFAARP C[NH+]1CCC(N(C(=O)CC[NH+]2CCCCCCC2)C2CC2)CC1 ZINC000063846400 425901335 /nfs/dbraw/zinc/90/13/35/425901335.db2.gz NEJONXNKOIUGNN-UHFFFAOYSA-N 2 0 321.509 2.728 50 0 DFAARP Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1[C@H]1CC[NH2+]C1 ZINC000067934831 425914995 /nfs/dbraw/zinc/91/49/95/425914995.db2.gz LPTXBGLMYMGJGH-HNNXBMFYSA-N 2 0 305.385 2.715 50 0 DFAARP c1ccc(C[NH+]2CCC(N3CC[C@@]4(C3)CCC[NH2+]C4)CC2)cc1 ZINC000067947621 425915064 /nfs/dbraw/zinc/91/50/64/425915064.db2.gz UJBGGBGNLADJCH-FQEVSTJZSA-N 2 0 313.489 2.727 50 0 DFAARP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)n1ccnc1)c1ccccc1 ZINC000068385353 425917570 /nfs/dbraw/zinc/91/75/70/425917570.db2.gz ZJGTZWDAOWDFGC-GJZGRUSLSA-N 2 0 314.433 2.690 50 0 DFAARP Cn1c[n+](CCCC[n+]2cn(C)c3ccccc32)c2ccccc21 ZINC000003077449 425608254 /nfs/dbraw/zinc/60/82/54/425608254.db2.gz FXUHCVUXKHUOBM-UHFFFAOYSA-N 2 0 320.440 2.725 50 0 DFAARP Cc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)[nH]n1 ZINC000012446307 425727047 /nfs/dbraw/zinc/72/70/47/425727047.db2.gz LVKXFAZESNSTFI-UHFFFAOYSA-N 2 0 316.449 2.964 50 0 DFAARP [NH3+]CCc1cccc(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000077506123 426137260 /nfs/dbraw/zinc/13/72/60/426137260.db2.gz RCRWFUZMCRMXEU-FQEVSTJZSA-N 2 0 315.505 2.886 50 0 DFAARP Cc1ccc([C@H](CNc2nc(N)[nH+]c3c2CCCC3)[NH+](C)C)o1 ZINC000095358890 426367548 /nfs/dbraw/zinc/36/75/48/426367548.db2.gz IDOPWGOFSQCHFF-AWEZNQCLSA-N 2 0 315.421 2.554 50 0 DFAARP CC[NH+](CC)CCn1cc(NC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000095992463 426385341 /nfs/dbraw/zinc/38/53/41/426385341.db2.gz WJYVNCNUKMHITM-UHFFFAOYSA-N 2 0 321.513 2.900 50 0 DFAARP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cn1cccn1 ZINC000097162471 426456221 /nfs/dbraw/zinc/45/62/21/426456221.db2.gz SNGHYMFXKHLNSM-MRXNPFEDSA-N 2 0 300.450 2.902 50 0 DFAARP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000241439984 426716372 /nfs/dbraw/zinc/71/63/72/426716372.db2.gz NOBONNGYUUDDDU-UHZRXMQZSA-N 2 0 314.473 2.648 50 0 DFAARP c1ccc(N2CCC([NH+]3CCC([NH2+]CC4CC4)CC3)CC2)nc1 ZINC000097165814 332193781 /nfs/dbraw/zinc/19/37/81/332193781.db2.gz GAWKZGPCIBGICH-UHFFFAOYSA-N 2 0 314.477 2.514 50 0 DFAARP C[C@H]1OC2(C[C@H]1[NH2+]CCCNc1ccccc1)CC[NH+](C)CC2 ZINC000685940766 546412259 /nfs/dbraw/zinc/41/22/59/546412259.db2.gz UGJBAEAXWIDIIO-SJLPKXTDSA-N 2 0 317.477 2.720 50 0 DFAARP c1cn2c(n1)CC[C@@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000328631905 231266010 /nfs/dbraw/zinc/26/60/10/231266010.db2.gz KXRXPVSPFOZWSQ-INIZCTEOSA-N 2 0 316.493 2.832 50 0 DFAARP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000095421859 185360716 /nfs/dbraw/zinc/36/07/16/185360716.db2.gz MWWWLYQTMASITP-HUUCEWRRSA-N 2 0 309.885 2.874 50 0 DFAARP Cn1cc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000072439893 191167611 /nfs/dbraw/zinc/16/76/11/191167611.db2.gz CERSNDOGDVLHQI-UHFFFAOYSA-N 2 0 312.461 2.764 50 0 DFAARP C[NH+](C)C[C@]1(O)CC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000072463699 191174276 /nfs/dbraw/zinc/17/42/76/191174276.db2.gz ORUOYZONVIYIOA-OAQYLSRUSA-N 2 0 324.468 2.817 50 0 DFAARP Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000005345144 181232248 /nfs/dbraw/zinc/23/22/48/181232248.db2.gz DBBNZYSYWRSOTE-UHFFFAOYSA-N 2 0 324.432 2.796 50 0 DFAARP C[NH+]1CCC(C)(C[N@@H+](C/C=C/c2ccccc2)CCO)CC1 ZINC000063857112 184289850 /nfs/dbraw/zinc/28/98/50/184289850.db2.gz BZVONPAEMGKFDT-RMKNXTFCSA-N 2 0 302.462 2.726 50 0 DFAARP C[NH+]1CCN(CC[NH2+]Cc2sc3ccccc3c2Cl)CC1 ZINC000037979295 542433629 /nfs/dbraw/zinc/43/36/29/542433629.db2.gz AUFWBVRVUJLMOV-UHFFFAOYSA-N 2 0 323.893 2.892 50 0 DFAARP COCC[NH+]1CCC(C[N@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000216502619 257273764 /nfs/dbraw/zinc/27/37/64/257273764.db2.gz FNJRBSPOXMWNGN-UHFFFAOYSA-N 2 0 315.461 2.958 50 0 DFAARP CC(C)([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000426727291 257243543 /nfs/dbraw/zinc/24/35/43/257243543.db2.gz ASKBBAKAPSPDFH-IBGZPJMESA-N 2 0 321.509 2.619 50 0 DFAARP O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000216077521 542874451 /nfs/dbraw/zinc/87/44/51/542874451.db2.gz CJJSFJCMIDBDSG-FQEVSTJZSA-N 2 0 319.408 2.966 50 0 DFAARP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261772111 146273714 /nfs/dbraw/zinc/27/37/14/146273714.db2.gz DSWGOQCUDXMWME-KRWDZBQOSA-N 2 0 312.461 2.809 50 0 DFAARP Cc1nc([C@@](C)([NH3+])Cc2ccccc2)n(-c2cc[nH+]cc2C)n1 ZINC000067649435 425912025 /nfs/dbraw/zinc/91/20/25/425912025.db2.gz ZUSWYCKNRKWWAF-SFHVURJKSA-N 2 0 307.401 2.696 50 0 DFAARP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)n1ccnc1)c1ccccc1 ZINC000068385356 425917469 /nfs/dbraw/zinc/91/74/69/425917469.db2.gz ZJGTZWDAOWDFGC-CABCVRRESA-N 2 0 314.433 2.690 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000069349875 425935165 /nfs/dbraw/zinc/93/51/65/425935165.db2.gz JNOBZLHWFKZVKW-GFCCVEGCSA-N 2 0 314.832 2.662 50 0 DFAARP C/C(=C\c1ccccc1)C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069351389 425936241 /nfs/dbraw/zinc/93/62/41/425936241.db2.gz LVSNHZBXVIYUIM-NWNNTGRJSA-N 2 0 302.462 2.772 50 0 DFAARP c1cn(-c2ccc(C[NH2+]C[C@@H]3COc4ccccc4O3)cc2)cn1 ZINC000008706495 425672319 /nfs/dbraw/zinc/67/23/19/425672319.db2.gz YHLZUUFFANPDNE-QGZVFWFLSA-N 2 0 321.380 2.802 50 0 DFAARP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000011705850 425712746 /nfs/dbraw/zinc/71/27/46/425712746.db2.gz CVPVPXGBWKCCTP-KRWDZBQOSA-N 2 0 321.509 2.774 50 0 DFAARP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745050 425877036 /nfs/dbraw/zinc/87/70/36/425877036.db2.gz MWBPIGPQPMLRDN-AWEZNQCLSA-N 2 0 314.433 2.517 50 0 DFAARP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)s1 ZINC000077408351 426131386 /nfs/dbraw/zinc/13/13/86/426131386.db2.gz ATVWRXCUEAIRGK-MRXNPFEDSA-N 2 0 321.534 2.904 50 0 DFAARP Cc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)s1 ZINC000077408352 426132059 /nfs/dbraw/zinc/13/20/59/426132059.db2.gz ATVWRXCUEAIRGK-INIZCTEOSA-N 2 0 321.534 2.904 50 0 DFAARP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccco3)cc2)CC1 ZINC000078553935 426174916 /nfs/dbraw/zinc/17/49/16/426174916.db2.gz FNOHRXRSZVMMPS-UHFFFAOYSA-N 2 0 300.402 2.526 50 0 DFAARP [NH3+]CC1(NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000148244399 426259778 /nfs/dbraw/zinc/25/97/78/426259778.db2.gz QUPLRKZQHPDCNH-UHFFFAOYSA-N 2 0 309.457 2.770 50 0 DFAARP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000089314322 426285812 /nfs/dbraw/zinc/28/58/12/426285812.db2.gz ONIDLISIKWGMSR-INIZCTEOSA-N 2 0 307.507 2.741 50 0 DFAARP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000095952908 426375953 /nfs/dbraw/zinc/37/59/53/426375953.db2.gz OYWBNEVZRPDTGU-ICSRJNTNSA-N 2 0 315.505 2.720 50 0 DFAARP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000097235565 426460478 /nfs/dbraw/zinc/46/04/78/426460478.db2.gz PISNPXRWMPRFND-CYBMUJFWSA-N 2 0 313.848 2.767 50 0 DFAARP OCC1(C[NH+]2CCCC2)CC[NH+](CCCc2ccccc2)CC1 ZINC000220594041 426576563 /nfs/dbraw/zinc/57/65/63/426576563.db2.gz KHDLBNFFPLIBTG-UHFFFAOYSA-N 2 0 316.489 2.790 50 0 DFAARP Cc1nccn1CC1CC[NH+](Cc2cncn2CC(C)C)CC1 ZINC000244795136 426727176 /nfs/dbraw/zinc/72/71/76/426727176.db2.gz RAILBZPMJSXBNR-UHFFFAOYSA-N 2 0 315.465 2.956 50 0 DFAARP C[NH+]1CCC(N2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000244874283 426728936 /nfs/dbraw/zinc/72/89/36/426728936.db2.gz WYGYCTLJQPBISB-OALUTQOASA-N 2 0 305.510 2.810 50 0 DFAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cncn1Cc1ccccc1)C2 ZINC000252485107 427179523 /nfs/dbraw/zinc/17/95/23/427179523.db2.gz GNPGPVISYBASND-ZWKOTPCHSA-N 2 0 310.445 2.600 50 0 DFAARP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000249028716 276198454 /nfs/dbraw/zinc/19/84/54/276198454.db2.gz AYVLCJGFSDWJCR-GUDVDZBRSA-N 2 0 305.510 2.691 50 0 DFAARP CC(C)OCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328606895 527937717 /nfs/dbraw/zinc/93/77/17/527937717.db2.gz TWNRRSRBQMACFQ-GOSISDBHSA-N 2 0 305.466 2.841 50 0 DFAARP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000095434090 185363954 /nfs/dbraw/zinc/36/39/54/185363954.db2.gz YCMFZMKWTXLMCX-INIZCTEOSA-N 2 0 321.509 2.559 50 0 DFAARP CC(C)[N@@H+]1CCC[C@H](C[NH+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151032 191055292 /nfs/dbraw/zinc/05/52/92/191055292.db2.gz OGVNLJAHNQVZND-LJQANCHMSA-N 3 0 303.494 2.740 50 0 DFAARP Cc1ccc(SCCC[N@@H+](C)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072470286 191176012 /nfs/dbraw/zinc/17/60/12/191176012.db2.gz PTNUWEOOIFSFLX-KRWDZBQOSA-N 2 0 308.491 2.524 50 0 DFAARP C[C@@H](C1CC[NH+](Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCCC1 ZINC000072478520 191179447 /nfs/dbraw/zinc/17/94/47/191179447.db2.gz CYMFJKPEWRYRJW-HNNXBMFYSA-N 2 0 316.493 2.994 50 0 DFAARP CCOc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000010434684 181669702 /nfs/dbraw/zinc/66/97/02/181669702.db2.gz JWWHCAUZWBXPNI-UHFFFAOYSA-N 2 0 312.841 2.837 50 0 DFAARP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000187975777 399162458 /nfs/dbraw/zinc/16/24/58/399162458.db2.gz JWLGATTWNVIPRV-VQTJNVASSA-N 2 0 316.489 2.791 50 0 DFAARP Cn1cc(CCC[N@H+](C)C2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000067743075 542460190 /nfs/dbraw/zinc/46/01/90/542460190.db2.gz MMTGEIFIIYLTLN-UHFFFAOYSA-N 2 0 304.482 2.597 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000408525478 257254736 /nfs/dbraw/zinc/25/47/36/257254736.db2.gz BVOLCGBVDLOIJH-SZMVWBNQSA-N 2 0 317.477 2.655 50 0 DFAARP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261772117 146274249 /nfs/dbraw/zinc/27/42/49/146274249.db2.gz DSWGOQCUDXMWME-QGZVFWFLSA-N 2 0 312.461 2.809 50 0 DFAARP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000670440466 544040157 /nfs/dbraw/zinc/04/01/57/544040157.db2.gz XWJDTUIHDDQECM-IBGZPJMESA-N 2 0 322.456 2.791 50 0 DFAARP C[N@@H+]1CCC[C@@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562051 425911323 /nfs/dbraw/zinc/91/13/23/425911323.db2.gz MQDONIGXKAGVCF-MRXNPFEDSA-N 2 0 302.397 2.790 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000069349889 425935035 /nfs/dbraw/zinc/93/50/35/425935035.db2.gz KAEYOXZNJCPXET-GFCCVEGCSA-N 2 0 314.832 2.662 50 0 DFAARP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)NC1CCCCC1 ZINC000069571303 425947828 /nfs/dbraw/zinc/94/78/28/425947828.db2.gz NZAMUIFMWOXFQO-UHFFFAOYSA-N 2 0 321.509 2.633 50 0 DFAARP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932857 426200520 /nfs/dbraw/zinc/20/05/20/426200520.db2.gz YKYQELFZTIEMET-ATZDWAIDSA-N 2 0 318.436 2.808 50 0 DFAARP COC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000089761801 426307225 /nfs/dbraw/zinc/30/72/25/426307225.db2.gz MSCHUTPFAWEWRC-UHFFFAOYSA-N 2 0 319.493 2.732 50 0 DFAARP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491280 426435849 /nfs/dbraw/zinc/43/58/49/426435849.db2.gz IDXPHEUFTGJFRC-ZBFHGGJFSA-N 2 0 317.433 2.778 50 0 DFAARP C[C@@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000097162637 426456313 /nfs/dbraw/zinc/45/63/13/426456313.db2.gz DTKUHUSVQVMBAW-CQSZACIVSA-N 2 0 305.441 2.985 50 0 DFAARP Cc1c2cc(C)ccc2oc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097294706 426462643 /nfs/dbraw/zinc/46/26/43/426462643.db2.gz HPXODDSXWAQXPK-INIZCTEOSA-N 2 0 313.445 2.529 50 0 DFAARP C[NH+](C)Cc1csc(C[NH+]2CCC(Cn3ccnc3)CC2)c1 ZINC000097631948 426470774 /nfs/dbraw/zinc/47/07/74/426470774.db2.gz DFKFQHDLHFAQNT-UHFFFAOYSA-N 2 0 318.490 2.918 50 0 DFAARP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000239672601 426712801 /nfs/dbraw/zinc/71/28/01/426712801.db2.gz BTZSJBQSCWPDMS-ATZDWAIDSA-N 2 0 320.477 2.958 50 0 DFAARP C1=CC2(CC[NH+](Cc3cc4n(n3)CC[NH2+]C4)CC2)c2ccccc21 ZINC000072143371 275411435 /nfs/dbraw/zinc/41/14/35/275411435.db2.gz JNJTVMDOJOUFOQ-UHFFFAOYSA-N 2 0 320.440 2.547 50 0 DFAARP OC1(C[NH+](Cc2ccccc2)Cc2ccccc2)CC[NH2+]CC1 ZINC000040566706 304820797 /nfs/dbraw/zinc/82/07/97/304820797.db2.gz PIPXDBRSAWZSQW-UHFFFAOYSA-N 2 0 310.441 2.803 50 0 DFAARP COC1(OC)CC[C@@H]([N@H+](C)Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000725261738 563567829 /nfs/dbraw/zinc/56/78/29/563567829.db2.gz DYGREQAGYOOJFA-DLBZAZTESA-N 2 0 306.450 2.625 50 0 DFAARP O[C@@H](COc1cccc(C[NH+]2CCC2)c1)C[NH+]1CCCCCC1 ZINC000095507981 185375990 /nfs/dbraw/zinc/37/59/90/185375990.db2.gz NSBDSTOJEANKOZ-GOSISDBHSA-N 2 0 318.461 2.508 50 0 DFAARP Cc1cc(C)c2[nH]c(C[NH2+]CC[C@H]3CCC[N@H+]3C)cc(=O)c2c1 ZINC000091782486 193107074 /nfs/dbraw/zinc/10/70/74/193107074.db2.gz KKLCHODRTNBCIQ-MRXNPFEDSA-N 2 0 313.445 2.719 50 0 DFAARP Cc1cc(C[N@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)oc1C ZINC000023374234 182358119 /nfs/dbraw/zinc/35/81/19/182358119.db2.gz XCBHJFWHFDHHPW-QGZVFWFLSA-N 2 0 307.482 2.744 50 0 DFAARP c1sc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1C[NH+]1CCCCC1 ZINC000426517678 257247546 /nfs/dbraw/zinc/24/75/46/257247546.db2.gz VDTZUTLUWLYORV-DOTOQJQBSA-N 2 0 305.491 2.528 50 0 DFAARP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000371472038 150051876 /nfs/dbraw/zinc/05/18/76/150051876.db2.gz XVPLBMQGHBMZMW-GUDVDZBRSA-N 2 0 302.462 2.987 50 0 DFAARP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]C(C)(C)C ZINC000007984416 425657703 /nfs/dbraw/zinc/65/77/03/425657703.db2.gz UIFSFLQATRSTLZ-CQSZACIVSA-N 2 0 321.465 2.780 50 0 DFAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C3CCOCC3)CC2)o1 ZINC000012075382 425718789 /nfs/dbraw/zinc/71/87/89/425718789.db2.gz SIYIEHKMXYOVHX-UHFFFAOYSA-N 2 0 306.450 2.911 50 0 DFAARP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2ccco2)CC1)c1ccccc1 ZINC000069490771 425942696 /nfs/dbraw/zinc/94/26/96/425942696.db2.gz SNKGLOWXHAFVRP-IBGZPJMESA-N 2 0 314.429 2.815 50 0 DFAARP C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000097229002 426459807 /nfs/dbraw/zinc/45/98/07/426459807.db2.gz GUKIXORTYCIUMN-PKOBYXMFSA-N 2 0 301.478 2.582 50 0 DFAARP C[N@@H+]1CCC2(C1)CC[NH+](C[C@@]1(c3ccccc3)CCOC1)CC2 ZINC000215186535 426549432 /nfs/dbraw/zinc/54/94/32/426549432.db2.gz XWFCJVWEDMVNIY-FQEVSTJZSA-N 2 0 314.473 2.762 50 0 DFAARP OCC1(C[NH+]2CCCC2)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000219746835 426573753 /nfs/dbraw/zinc/57/37/53/426573753.db2.gz IANCCJQOXPKDFM-RMKNXTFCSA-N 2 0 314.473 2.870 50 0 DFAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000252476742 427175269 /nfs/dbraw/zinc/17/52/69/427175269.db2.gz APISCBGGXRRKCK-MJGOQNOKSA-N 2 0 313.445 2.645 50 0 DFAARP C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C1CC[NH2+]CC1)CC2 ZINC000095497033 185374554 /nfs/dbraw/zinc/37/45/54/185374554.db2.gz JMIRQFVJAJOHNM-SFHVURJKSA-N 2 0 313.489 2.692 50 0 DFAARP CCc1ccc(C[NH2+]CC(C)(C)N2CCC([NH+](C)C)CC2)o1 ZINC000095415471 185358798 /nfs/dbraw/zinc/35/87/98/185358798.db2.gz JMEHKUSBFINIST-UHFFFAOYSA-N 2 0 307.482 2.736 50 0 DFAARP CCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370396 398422396 /nfs/dbraw/zinc/42/23/96/398422396.db2.gz QFTVYFGYGIYQGL-DFQSSKMNSA-N 2 0 324.472 2.903 50 0 DFAARP OC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](C1CCC1)CC2 ZINC000169783584 399001944 /nfs/dbraw/zinc/00/19/44/399001944.db2.gz BDMZIGIQYKOMJZ-GOSISDBHSA-N 2 0 314.473 2.745 50 0 DFAARP C[NH+]1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022078480 182308372 /nfs/dbraw/zinc/30/83/72/182308372.db2.gz WYGYCTLJQPBISB-MOPGFXCFSA-N 2 0 305.510 2.810 50 0 DFAARP O[C@@]1(C[NH2+]CCCc2ccccc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855837 184289724 /nfs/dbraw/zinc/28/97/24/184289724.db2.gz JXPSLURLVBNSTI-RTBURBONSA-N 2 0 302.462 2.588 50 0 DFAARP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000069349895 184508393 /nfs/dbraw/zinc/50/83/93/184508393.db2.gz KODSCPYVKQTLBR-INIZCTEOSA-N 2 0 320.477 2.656 50 0 DFAARP Cc1nn(C[C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c(C)c1Cl ZINC000426389964 257252447 /nfs/dbraw/zinc/25/24/47/257252447.db2.gz VXALYVAJUYAVMT-LLVKDONJSA-N 2 0 306.841 2.790 50 0 DFAARP CCOc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000215884166 542874042 /nfs/dbraw/zinc/87/40/42/542874042.db2.gz AWIFKRKRIFRBRV-UHFFFAOYSA-N 2 0 318.461 2.508 50 0 DFAARP c1cnn(Cc2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)c1 ZINC000067713711 425912541 /nfs/dbraw/zinc/91/25/41/425912541.db2.gz HCJCGBONZITFLG-IBGZPJMESA-N 2 0 310.445 2.507 50 0 DFAARP CC(C)=CC(=O)NC[C@H]1CC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC000067846941 425914036 /nfs/dbraw/zinc/91/40/36/425914036.db2.gz QSQZXXRGNKPIFC-QGZVFWFLSA-N 2 0 321.509 2.511 50 0 DFAARP C[NH+]1CCC2(CC1)CCCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC000067868409 425914266 /nfs/dbraw/zinc/91/42/66/425914266.db2.gz WQYBPNXBCFCPEV-UHFFFAOYSA-N 2 0 321.509 2.587 50 0 DFAARP Cc1cccc2[nH]c(C3CC[NH+](C[C@H]4[C@@H]5C[NH2+]C[C@H]45)CC3)nc21 ZINC000102501497 425921799 /nfs/dbraw/zinc/92/17/99/425921799.db2.gz JYQLYFWSOQTODR-ZSHCYNCHSA-N 3 0 310.445 2.516 50 0 DFAARP OCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095353209 426367259 /nfs/dbraw/zinc/36/72/59/426367259.db2.gz RPDBGXFTFUETRN-SFHVURJKSA-N 2 0 314.473 2.713 50 0 DFAARP C(=C\c1ccccc1)\C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000096256135 426411489 /nfs/dbraw/zinc/41/14/89/426411489.db2.gz SSFJIIYMDRAJID-DAXSKMNVSA-N 2 0 300.446 2.744 50 0 DFAARP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000096439513 426425836 /nfs/dbraw/zinc/42/58/36/426425836.db2.gz QYQJTWSPPULTRS-YOEHRIQHSA-N 2 0 323.506 2.589 50 0 DFAARP Cc1cc(N2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)cc[nH+]1 ZINC000097743156 426473969 /nfs/dbraw/zinc/47/39/69/426473969.db2.gz LEPLFPPLLXOUBG-INIZCTEOSA-N 2 0 303.450 2.717 50 0 DFAARP C[C@@H](c1cccc(C[N@H+](C)CCN2CCCCC2=O)c1)[NH+](C)C ZINC000097819537 426474208 /nfs/dbraw/zinc/47/42/08/426474208.db2.gz LQHRVBKLZODCNV-INIZCTEOSA-N 2 0 317.477 2.754 50 0 DFAARP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000229706227 426637966 /nfs/dbraw/zinc/63/79/66/426637966.db2.gz HERVYXKBLZHRFF-HZPDHXFCSA-N 2 0 321.465 2.511 50 0 DFAARP C[NH+](C)CCC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000242339212 426720325 /nfs/dbraw/zinc/72/03/25/426720325.db2.gz ZFZVVJSAHCTYAH-GOSISDBHSA-N 2 0 315.461 2.604 50 0 DFAARP C[C@H](C1CC[NH+](Cc2cnc(N(C)C)s2)CC1)[NH+]1CCCC1 ZINC000072421291 289408846 /nfs/dbraw/zinc/40/88/46/289408846.db2.gz HDPPRDAWWBFEEZ-CQSZACIVSA-N 2 0 322.522 2.905 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000097103143 323208944 /nfs/dbraw/zinc/20/89/44/323208944.db2.gz STQRGHGRXRYHLJ-VQTJNVASSA-N 2 0 315.505 2.940 50 0 DFAARP c1cn2c(n1)CC[C@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000328631906 231266304 /nfs/dbraw/zinc/26/63/04/231266304.db2.gz KXRXPVSPFOZWSQ-MRXNPFEDSA-N 2 0 316.493 2.832 50 0 DFAARP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000245343898 398381849 /nfs/dbraw/zinc/38/18/49/398381849.db2.gz WJIJBPIVNYPBCD-MSOLQXFVSA-N 2 0 310.445 2.897 50 0 DFAARP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522496 185300461 /nfs/dbraw/zinc/30/04/61/185300461.db2.gz BTZSJBQSCWPDMS-MNEFBYGVSA-N 2 0 320.477 2.958 50 0 DFAARP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3ccnc3)CC2)C1 ZINC000095419077 185359866 /nfs/dbraw/zinc/35/98/66/185359866.db2.gz UCXAVMJGMOOOLO-WMZOPIPTSA-N 2 0 304.482 2.906 50 0 DFAARP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCC1OCCO1 ZINC000252586698 398420291 /nfs/dbraw/zinc/42/02/91/398420291.db2.gz RXUIKAGYYMDHRX-FUHWJXTLSA-N 2 0 318.461 2.592 50 0 DFAARP CC1(C)CC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC(C)(C)[NH2+]1 ZINC000584896685 398429829 /nfs/dbraw/zinc/42/98/29/398429829.db2.gz BUGBTIQXBKJVFW-UHFFFAOYSA-N 2 0 302.422 2.667 50 0 DFAARP CC[NH+]1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019877250 182159810 /nfs/dbraw/zinc/15/98/10/182159810.db2.gz JYMZYBIXRUJDQS-UHFFFAOYSA-N 2 0 315.505 2.721 50 0 DFAARP CC[NH+]1CCN(C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000019888837 182160948 /nfs/dbraw/zinc/16/09/48/182160948.db2.gz LGYKAPWGZFMKPT-UHFFFAOYSA-N 2 0 301.478 2.597 50 0 DFAARP CCc1ccc(C[NH+]2CCC(N3CC[NH+](CC)CC3)CC2)cc1 ZINC000019888829 182161136 /nfs/dbraw/zinc/16/11/36/182161136.db2.gz KHIZYERVYHCXCO-UHFFFAOYSA-N 2 0 315.505 2.851 50 0 DFAARP CCCOc1ccc(C[NH2+]CCC[NH2+]C)cc1Br ZINC000020967446 182256699 /nfs/dbraw/zinc/25/66/99/182256699.db2.gz UANVVRYQBVTITJ-UHFFFAOYSA-N 2 0 315.255 2.937 50 0 DFAARP O[C@H](C[NH+]1CCC(C[NH2+]Cc2ccco2)CC1)c1ccccc1 ZINC000069490769 285349807 /nfs/dbraw/zinc/34/98/07/285349807.db2.gz SNKGLOWXHAFVRP-LJQANCHMSA-N 2 0 314.429 2.815 50 0 DFAARP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262052508 146326929 /nfs/dbraw/zinc/32/69/29/146326929.db2.gz QJXIXKLUFJQZKM-LPHOPBHVSA-N 2 0 312.461 2.809 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000069349888 425935523 /nfs/dbraw/zinc/93/55/23/425935523.db2.gz KAEYOXZNJCPXET-LBPRGKRZSA-N 2 0 314.832 2.662 50 0 DFAARP CCOc1c(C[NH2+]CC2CC[NH2+]CC2)cc(Cl)cc1OC ZINC000010435478 425701996 /nfs/dbraw/zinc/70/19/96/425701996.db2.gz HUSVMZLUZICOIA-UHFFFAOYSA-N 2 0 312.841 2.837 50 0 DFAARP c1ccc(CCC[N@@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000106986724 425982130 /nfs/dbraw/zinc/98/21/30/425982130.db2.gz VGRWUKDHVGBNTC-FQEVSTJZSA-N 2 0 315.505 2.627 50 0 DFAARP C[C@H](C1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1)[NH+]1CCCC1 ZINC000072473361 426015450 /nfs/dbraw/zinc/01/54/50/426015450.db2.gz IKXOAORAJSQMHU-QGZVFWFLSA-N 3 0 315.505 2.884 50 0 DFAARP COc1ccc2n[nH]c(C[NH+]3CCC([C@H](C)[NH+](C)C)CC3)c2c1 ZINC000077407432 426132213 /nfs/dbraw/zinc/13/22/13/426132213.db2.gz IVKOUPLAWQXJHP-ZDUSSCGKSA-N 2 0 316.449 2.734 50 0 DFAARP Cc1c2cc(C)ccc2oc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097294704 426462474 /nfs/dbraw/zinc/46/24/74/426462474.db2.gz HPXODDSXWAQXPK-MRXNPFEDSA-N 2 0 313.445 2.529 50 0 DFAARP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348305 276201737 /nfs/dbraw/zinc/20/17/37/276201737.db2.gz OYWBNEVZRPDTGU-QUCCMNQESA-N 2 0 315.505 2.720 50 0 DFAARP Cc1nc(NCC[NH+]2CCCCCC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067789598 302610548 /nfs/dbraw/zinc/61/05/48/302610548.db2.gz HNIOVUGTFYWSMP-INIZCTEOSA-N 2 0 317.481 2.540 50 0 DFAARP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188037718 186247206 /nfs/dbraw/zinc/24/72/06/186247206.db2.gz ULQKLXBNQFWOSW-CVEARBPZSA-N 2 0 320.452 2.847 50 0 DFAARP C=Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000225583680 186279803 /nfs/dbraw/zinc/27/98/03/186279803.db2.gz ZYXGOHOCXPAYHK-SLFFLAALSA-N 2 0 322.456 2.984 50 0 DFAARP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC1OCCO1 ZINC000124585590 398803507 /nfs/dbraw/zinc/80/35/07/398803507.db2.gz RXUIKAGYYMDHRX-AEFFLSMTSA-N 2 0 318.461 2.592 50 0 DFAARP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cncn2C)C1 ZINC000237673312 202325754 /nfs/dbraw/zinc/32/57/54/202325754.db2.gz BAUNCDIGCVRQCQ-INIZCTEOSA-N 2 0 312.461 2.942 50 0 DFAARP Cc1nn(C)c2ncc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000237844507 202369525 /nfs/dbraw/zinc/36/95/25/202369525.db2.gz FNWWQNNUXNTQQE-UHFFFAOYSA-N 2 0 315.465 2.676 50 0 DFAARP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@@H]3CO)CC2)o1 ZINC000169783889 399001066 /nfs/dbraw/zinc/00/10/66/399001066.db2.gz CFXFHFXVGZPSEV-MRXNPFEDSA-N 2 0 318.461 2.647 50 0 DFAARP CCc1[nH+]c(N)nc(N2CCC(CC[NH+]3CCCC3)CC2)c1C ZINC000092066921 193152042 /nfs/dbraw/zinc/15/20/42/193152042.db2.gz WPVKFUCCURVVTE-UHFFFAOYSA-N 2 0 317.481 2.632 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000262676381 203378580 /nfs/dbraw/zinc/37/85/80/203378580.db2.gz SAQLQJUSLYCNRT-XYVMCAHJSA-N 2 0 317.477 2.511 50 0 DFAARP C[N@H+](Cc1ccccc1CNC1=[NH+]CCCN1)C1CCCCC1 ZINC000066244448 184398596 /nfs/dbraw/zinc/39/85/96/184398596.db2.gz FPRDYBLVSGUGAE-UHFFFAOYSA-N 2 0 314.477 2.890 50 0 DFAARP c1cc([C@H]2CCCO2)sc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426479159 257249731 /nfs/dbraw/zinc/24/97/31/257249731.db2.gz WWHFMFBLAFKHEL-OAHLLOKOSA-N 2 0 322.474 2.554 50 0 DFAARP CC[NH+]1CCC(N2CCC[N@H+](CC3=CCCCC3)CC2)CC1 ZINC000408521766 257254640 /nfs/dbraw/zinc/25/46/40/257254640.db2.gz FCBOBMHBEIZIOZ-UHFFFAOYSA-N 2 0 305.510 2.979 50 0 DFAARP Cc1nn(C)c(C)c1CN(C)Cc1cc(C[NH+](C)C)cs1 ZINC000216037302 542875129 /nfs/dbraw/zinc/87/51/29/542875129.db2.gz NUKKEESNDJGTRB-UHFFFAOYSA-N 2 0 306.479 2.792 50 0 DFAARP Cc1cccnc1NCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055182815 425892428 /nfs/dbraw/zinc/89/24/28/425892428.db2.gz IPTPTUWZTLGLHT-DLBZAZTESA-N 2 0 302.466 2.656 50 0 DFAARP CC(C)C[NH+]1CCC([NH2+]CCc2nc3ccccc3[nH]2)CC1 ZINC000067805180 425913252 /nfs/dbraw/zinc/91/32/52/425913252.db2.gz BRPKKWAGMQZSQS-UHFFFAOYSA-N 2 0 300.450 2.815 50 0 DFAARP COc1cccc2c1OCC(C[N@@H+]1CCC3(C1)CC[NH2+]CC3)=C2 ZINC000067872750 425914270 /nfs/dbraw/zinc/91/42/70/425914270.db2.gz KQQOOBKTBNJHMX-UHFFFAOYSA-N 2 0 314.429 2.547 50 0 DFAARP CC(C)=CC(=O)NC[C@@H]1CC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC000067846942 425914106 /nfs/dbraw/zinc/91/41/06/425914106.db2.gz QSQZXXRGNKPIFC-KRWDZBQOSA-N 2 0 321.509 2.511 50 0 DFAARP C/C(=C\c1ccccc1)C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069351388 425936400 /nfs/dbraw/zinc/93/64/00/425936400.db2.gz LVSNHZBXVIYUIM-MOKGIYGOSA-N 2 0 302.462 2.772 50 0 DFAARP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000011705845 425711790 /nfs/dbraw/zinc/71/17/90/425711790.db2.gz CVPVPXGBWKCCTP-QGZVFWFLSA-N 2 0 321.509 2.774 50 0 DFAARP C[C@@H](C1CC[NH+](Cc2cc(C[NH+](C)C)cs2)CC1)[NH+](C)C ZINC000077356551 426129069 /nfs/dbraw/zinc/12/90/69/426129069.db2.gz LUOCLSXIBBKZRZ-AWEZNQCLSA-N 3 0 309.523 2.972 50 0 DFAARP Fc1ccc(CCN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000121194392 426323805 /nfs/dbraw/zinc/32/38/05/426323805.db2.gz DOTJVHPYJCOYNK-QRVBRYPASA-N 2 0 318.436 2.742 50 0 DFAARP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCSCC1 ZINC000096500765 426436766 /nfs/dbraw/zinc/43/67/66/426436766.db2.gz GQHYJMYCKNFDHZ-SFHVURJKSA-N 2 0 320.502 2.629 50 0 DFAARP C[N@@H+]1CCC2(C1)CC[NH+](C[C@]1(c3ccccc3)CCOC1)CC2 ZINC000215186487 426550761 /nfs/dbraw/zinc/55/07/61/426550761.db2.gz XWFCJVWEDMVNIY-HXUWFJFHSA-N 2 0 314.473 2.762 50 0 DFAARP CC[NH+]1CCC(N(C)Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000225393912 426600137 /nfs/dbraw/zinc/60/01/37/426600137.db2.gz KYUAQKNXENEFNQ-UHFFFAOYSA-N 2 0 304.482 2.842 50 0 DFAARP COc1cc(C[N@H+](C)CC2CC[NH2+]CC2)c(SC)cc1OC ZINC000178974865 426729536 /nfs/dbraw/zinc/72/95/36/426729536.db2.gz QRBZAEVABFFVQP-UHFFFAOYSA-N 2 0 324.490 2.857 50 0 DFAARP Cn1nccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000253418709 427205662 /nfs/dbraw/zinc/20/56/62/427205662.db2.gz FTOBTNVXRQAKAN-UHFFFAOYSA-N 2 0 324.472 2.908 50 0 DFAARP CCCC[N@@H+]1CCn2nc(C[NH2+]C3Cc4ccccc4C3)cc2C1 ZINC000299775576 427768459 /nfs/dbraw/zinc/76/84/59/427768459.db2.gz DXVSALZIFZFSCQ-UHFFFAOYSA-N 2 0 324.472 2.756 50 0 DFAARP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000095419539 185359817 /nfs/dbraw/zinc/35/98/17/185359817.db2.gz JUUGNWICZUOLRR-PMACEKPBSA-N 2 0 315.505 2.625 50 0 DFAARP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000095421857 185360694 /nfs/dbraw/zinc/36/06/94/185360694.db2.gz MWWWLYQTMASITP-CABCVRRESA-N 2 0 309.885 2.874 50 0 DFAARP C[NH+](C)CCCC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000095452472 185369192 /nfs/dbraw/zinc/36/91/92/185369192.db2.gz HTSCLGIFGKWUSO-QFIPXVFZSA-N 2 0 322.518 2.848 50 0 DFAARP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000072170445 191068336 /nfs/dbraw/zinc/06/83/36/191068336.db2.gz VJJZEAFTQJQKSN-IBGZPJMESA-N 2 0 312.461 2.848 50 0 DFAARP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000065382988 184332526 /nfs/dbraw/zinc/33/25/26/184332526.db2.gz RXSCTTVBVZVZEK-LJQANCHMSA-N 2 0 301.478 2.679 50 0 DFAARP c1ccc(-c2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000067742547 542460964 /nfs/dbraw/zinc/46/09/64/542460964.db2.gz CTMYFBYUGMURKE-UHFFFAOYSA-N 2 0 308.429 2.719 50 0 DFAARP Clc1ccccc1N1CCC([N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000426534997 257247529 /nfs/dbraw/zinc/24/75/29/257247529.db2.gz AWCVQQRCYIIDRH-SUMWQHHRSA-N 2 0 305.853 2.603 50 0 DFAARP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000102374842 425920146 /nfs/dbraw/zinc/92/01/46/425920146.db2.gz SGKSSSWOTMKDFU-ZSOGYDGISA-N 2 0 317.458 2.951 50 0 DFAARP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000000360065 425556172 /nfs/dbraw/zinc/55/61/72/425556172.db2.gz ASIXXJPWMHNLIN-IIAWOOMASA-N 2 0 306.450 2.565 50 0 DFAARP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)C[NH+]1CCCC1 ZINC000048749241 425877329 /nfs/dbraw/zinc/87/73/29/425877329.db2.gz CGBFWLBLRJDKIZ-ZDUSSCGKSA-N 2 0 304.463 2.960 50 0 DFAARP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000072308462 426013857 /nfs/dbraw/zinc/01/38/57/426013857.db2.gz HUWWNLRELSNFMS-AWEZNQCLSA-N 2 0 311.420 2.595 50 0 DFAARP C[C@H](C1CC[NH+](Cc2cc(C[NH+](C)C)cs2)CC1)[NH+](C)C ZINC000077356554 426128965 /nfs/dbraw/zinc/12/89/65/426128965.db2.gz LUOCLSXIBBKZRZ-CQSZACIVSA-N 3 0 309.523 2.972 50 0 DFAARP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000225514287 426602582 /nfs/dbraw/zinc/60/25/82/426602582.db2.gz JUOPBAQLZQBKFK-OTWHNJEPSA-N 2 0 305.510 2.691 50 0 DFAARP Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000225514194 426604261 /nfs/dbraw/zinc/60/42/61/426604261.db2.gz RCPBIJBIDHMXPO-SFHVURJKSA-N 2 0 311.429 2.959 50 0 DFAARP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccn2C)C1 ZINC000190458879 427114057 /nfs/dbraw/zinc/11/40/57/427114057.db2.gz PMLDEYSOYLZDDU-HNNXBMFYSA-N 2 0 318.490 2.744 50 0 DFAARP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000095967788 278363142 /nfs/dbraw/zinc/36/31/42/278363142.db2.gz PKIPIKLJFLARTB-QWHCGFSZSA-N 2 0 313.848 2.766 50 0 DFAARP COC1(OC)CC[C@H]([N@H+](C)Cc2ccccc2)C[C@@H]1CC[NH3+] ZINC000725261740 563567868 /nfs/dbraw/zinc/56/78/68/563567868.db2.gz DYGREQAGYOOJFA-IRXDYDNUSA-N 2 0 306.450 2.625 50 0 DFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000090050204 398476094 /nfs/dbraw/zinc/47/60/94/398476094.db2.gz KZYVQLMELLATGB-HZPDHXFCSA-N 2 0 314.477 2.826 50 0 DFAARP O[C@@H]1CCC[N@@H+](C2CCN(CCSc3ccccc3)CC2)C1 ZINC000072167692 191066423 /nfs/dbraw/zinc/06/64/23/191066423.db2.gz ZSEQAPFQHOIPCZ-QGZVFWFLSA-N 2 0 320.502 2.700 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000262676377 203378777 /nfs/dbraw/zinc/37/87/77/203378777.db2.gz SAQLQJUSLYCNRT-LMSBXDPUSA-N 2 0 317.477 2.511 50 0 DFAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000058231832 184092228 /nfs/dbraw/zinc/09/22/28/184092228.db2.gz USGRYGAYDGZSOJ-QGZVFWFLSA-N 2 0 318.465 2.566 50 0 DFAARP c1cnn(Cc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)c1 ZINC000067956009 425915196 /nfs/dbraw/zinc/91/51/96/425915196.db2.gz SDFUUTJYQNFRSM-LJQANCHMSA-N 2 0 310.445 2.507 50 0 DFAARP [NH3+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020283419 425791317 /nfs/dbraw/zinc/79/13/17/425791317.db2.gz VOPRQONKUAZUBX-UHFFFAOYSA-N 2 0 301.356 2.566 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccccc2)CC1 ZINC000071877587 425997864 /nfs/dbraw/zinc/99/78/64/425997864.db2.gz CWJQCQXYAQKYKQ-RCMYXZNBSA-N 2 0 302.462 2.724 50 0 DFAARP [NH3+]CCc1ccc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000077437305 426133540 /nfs/dbraw/zinc/13/35/40/426133540.db2.gz MFKYHZCGNMKNEH-UHFFFAOYSA-N 3 0 315.505 2.886 50 0 DFAARP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCCCC1 ZINC000089337141 426286653 /nfs/dbraw/zinc/28/66/53/426286653.db2.gz PZEUFPBPEFAYEC-UHFFFAOYSA-N 2 0 321.509 2.774 50 0 DFAARP COc1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1C[NH+]1CCCC1 ZINC000215111027 426549110 /nfs/dbraw/zinc/54/91/10/426549110.db2.gz NXFGKGCXBNNOCJ-MRXNPFEDSA-N 2 0 318.461 2.902 50 0 DFAARP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000275727112 426905883 /nfs/dbraw/zinc/90/58/83/426905883.db2.gz OSMWPJQSCPFKON-INIZCTEOSA-N 2 0 318.490 2.744 50 0 DFAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534590721 334294057 /nfs/dbraw/zinc/29/40/57/334294057.db2.gz KMBLNJMYFSOFNT-HNNXBMFYSA-N 2 0 321.896 2.597 50 0 DFAARP c1ccc(C[NH+]2CCC(NCC[NH+]3CCCCC3)CC2)cc1 ZINC000022045001 398415891 /nfs/dbraw/zinc/41/58/91/398415891.db2.gz GRXRECHMTVSURC-UHFFFAOYSA-N 2 0 301.478 2.727 50 0 DFAARP CCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000253370397 398422454 /nfs/dbraw/zinc/42/24/54/398422454.db2.gz QFTVYFGYGIYQGL-MISYRCLQSA-N 2 0 324.472 2.903 50 0 DFAARP Cn1ncc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000072121695 191039827 /nfs/dbraw/zinc/03/98/27/191039827.db2.gz CYYBQHGOBATXHN-UHFFFAOYSA-N 2 0 316.493 2.851 50 0 DFAARP CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072125398 191041724 /nfs/dbraw/zinc/04/17/24/191041724.db2.gz VNFPHQBPLYKXRH-UHFFFAOYSA-N 2 0 310.873 2.602 50 0 DFAARP CC[C@H]1CN(Cc2[nH+]c(C)n3ccccc23)CC[N@@H+]1C(C)C ZINC000072164033 191063798 /nfs/dbraw/zinc/06/37/98/191063798.db2.gz MOKMKLQVPFIGCW-INIZCTEOSA-N 2 0 300.450 2.947 50 0 DFAARP CC[N@H+](C)C1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CCCCC1 ZINC000244774027 202495346 /nfs/dbraw/zinc/49/53/46/202495346.db2.gz PMRNFUVDZZGIJF-GASCZTMLSA-N 2 0 317.481 2.748 50 0 DFAARP CCc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092028145 193143668 /nfs/dbraw/zinc/14/36/68/193143668.db2.gz WTMCMAIZXNQRDB-WOJBJXKFSA-N 2 0 316.489 2.775 50 0 DFAARP Cc1ccccc1C[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000095968945 193466014 /nfs/dbraw/zinc/46/60/14/193466014.db2.gz GRYRYGLBYJLBSC-KRWDZBQOSA-N 2 0 303.494 2.542 50 0 DFAARP Fc1ccccc1C[NH+]1CCC(C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000019735504 182140436 /nfs/dbraw/zinc/14/04/36/182140436.db2.gz ZWXLBRRULUXMDJ-KRWDZBQOSA-N 2 0 306.425 2.806 50 0 DFAARP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000284423306 218020993 /nfs/dbraw/zinc/02/09/93/218020993.db2.gz RJZIMPGSKZOVTP-WBVHZDCISA-N 2 0 318.461 2.674 50 0 DFAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2sccc2c1 ZINC000065380286 184332183 /nfs/dbraw/zinc/33/21/83/184332183.db2.gz GPPKACYTGUSIPP-CQSZACIVSA-N 2 0 303.475 2.627 50 0 DFAARP c1cncc(OCCC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000065406952 184338836 /nfs/dbraw/zinc/33/88/36/184338836.db2.gz AKRVHJUDGZZINK-FUHWJXTLSA-N 2 0 303.450 2.705 50 0 DFAARP CCc1oc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1C[NH+](CC)CC ZINC000055042560 542451841 /nfs/dbraw/zinc/45/18/41/542451841.db2.gz YNRMOMRMSVCVSF-OAHLLOKOSA-N 2 0 321.465 2.637 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000408525476 257254344 /nfs/dbraw/zinc/25/43/44/257254344.db2.gz BVOLCGBVDLOIJH-NJAFHUGGSA-N 2 0 317.477 2.655 50 0 DFAARP CCOc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1C[NH+](C)C ZINC000670447556 544041751 /nfs/dbraw/zinc/04/17/51/544041751.db2.gz QDDHPFLPOYRGMG-MRXNPFEDSA-N 2 0 306.450 2.615 50 0 DFAARP CN(C1CC[NH+](C)CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000220725 425546511 /nfs/dbraw/zinc/54/65/11/425546511.db2.gz AJQMAKJGEPQDDG-UHFFFAOYSA-N 2 0 315.505 2.720 50 0 DFAARP CC[N@H+](CCO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011817885 425714393 /nfs/dbraw/zinc/71/43/93/425714393.db2.gz LBLUBTPEEZOCSS-UHFFFAOYSA-N 2 0 304.478 2.564 50 0 DFAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccon3)CC2)o1 ZINC000015064771 425778631 /nfs/dbraw/zinc/77/86/31/425778631.db2.gz KZTIRIXHHMNTHI-UHFFFAOYSA-N 2 0 303.406 2.920 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000107525360 425994067 /nfs/dbraw/zinc/99/40/67/425994067.db2.gz NHSWTTFEGRSKGE-HXUWFJFHSA-N 2 0 315.505 2.625 50 0 DFAARP C/C(=C/c1ccccc1)C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000104060634 425957669 /nfs/dbraw/zinc/95/76/69/425957669.db2.gz LVSNHZBXVIYUIM-WBILKINKSA-N 2 0 302.462 2.772 50 0 DFAARP C[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccs2)CC1 ZINC000072275610 426012305 /nfs/dbraw/zinc/01/23/05/426012305.db2.gz SOOBEPVGEZNRHK-UHFFFAOYSA-N 2 0 301.459 2.790 50 0 DFAARP [NH3+]CCc1cccc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000077439173 426132870 /nfs/dbraw/zinc/13/28/70/426132870.db2.gz CSWRXQOTBLBCOI-UHFFFAOYSA-N 3 0 315.505 2.886 50 0 DFAARP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000089375353 426288479 /nfs/dbraw/zinc/28/84/79/426288479.db2.gz JWMWQGYAQKJOQN-SFHVURJKSA-N 2 0 321.509 2.632 50 0 DFAARP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000096439514 426425881 /nfs/dbraw/zinc/42/58/81/426425881.db2.gz QYQJTWSPPULTRS-PBHICJAKSA-N 2 0 323.506 2.589 50 0 DFAARP COc1ccc(C[NH+]2CCC(OC)CC2)cc1C[NH+]1CCCC1 ZINC000215384828 426554413 /nfs/dbraw/zinc/55/44/13/426554413.db2.gz IVDIDJQKNZAVNW-UHFFFAOYSA-N 2 0 318.461 2.902 50 0 DFAARP CCc1ccc(C[N@@H+]2CCCC[C@H]2CCN2CC[NH+](C)CC2)o1 ZINC000216257245 426556453 /nfs/dbraw/zinc/55/64/53/426556453.db2.gz YRTGDLCTPLHNGC-KRWDZBQOSA-N 2 0 319.493 2.834 50 0 DFAARP CCC[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246045220 426793174 /nfs/dbraw/zinc/79/31/74/426793174.db2.gz XOCVICUQYYPUGB-WBVHZDCISA-N 2 0 309.498 2.617 50 0 DFAARP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472785 290184776 /nfs/dbraw/zinc/18/47/76/290184776.db2.gz NMJZPIGGSODBMN-LJQANCHMSA-N 3 0 305.510 2.717 50 0 DFAARP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000095421856 185360740 /nfs/dbraw/zinc/36/07/40/185360740.db2.gz MWWWLYQTMASITP-GJZGRUSLSA-N 2 0 309.885 2.874 50 0 DFAARP O[C@H](C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C[NH+]1CCCCC1 ZINC000249257234 398412225 /nfs/dbraw/zinc/41/22/25/398412225.db2.gz GTJAXYJRYRWSDP-HZSPNIEDSA-N 2 0 308.388 2.544 50 0 DFAARP Cc1nc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)n(C)c1C ZINC000584902620 398430972 /nfs/dbraw/zinc/43/09/72/398430972.db2.gz GUQZIMMMQYHPRH-UHFFFAOYSA-N 2 0 304.482 2.591 50 0 DFAARP C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072151882 191055661 /nfs/dbraw/zinc/05/56/61/191055661.db2.gz MWVXGICRLZBTAL-SJLPKXTDSA-N 2 0 302.466 2.777 50 0 DFAARP C[NH+](C)Cc1cc(C[NH2+]C2CCC3(CC2)OCCO3)ccc1F ZINC000155853032 186118383 /nfs/dbraw/zinc/11/83/83/186118383.db2.gz OVRATRRQCGJQIK-UHFFFAOYSA-N 2 0 322.424 2.663 50 0 DFAARP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000060161738 184145209 /nfs/dbraw/zinc/14/52/09/184145209.db2.gz WLALDPZXIJGDFL-QGZVFWFLSA-N 2 0 305.466 2.526 50 0 DFAARP C[C@@H](CCc1ccccc1)[NH2+]CC1(CN2CC[NH+](C)CC2)CC1 ZINC000065394098 184334309 /nfs/dbraw/zinc/33/43/09/184334309.db2.gz KINGXCFRKKQXAD-SFHVURJKSA-N 2 0 315.505 2.625 50 0 DFAARP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)C1CC[NH+](C)CC1 ZINC000090920006 542538480 /nfs/dbraw/zinc/53/84/80/542538480.db2.gz NDDCGECWZWRTEK-CQSZACIVSA-N 3 0 307.457 2.707 50 0 DFAARP Cc1cc(F)ccc1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219882831 542878871 /nfs/dbraw/zinc/87/88/71/542878871.db2.gz NNKJKTCRSWFCAB-UHFFFAOYSA-N 2 0 320.452 2.804 50 0 DFAARP c1cncc(NCCC[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000055153257 425892470 /nfs/dbraw/zinc/89/24/70/425892470.db2.gz MARWNKYJWBYGOO-FUHWJXTLSA-N 2 0 302.466 2.738 50 0 DFAARP C[NH+](C)Cc1cc(C[NH+](C)C)c(O)c(CCc2ccccc2)n1 ZINC000000186196 425544015 /nfs/dbraw/zinc/54/40/15/425544015.db2.gz UWPCLYFCWDLOBG-UHFFFAOYSA-N 2 0 313.445 2.696 50 0 DFAARP C[N@@H+]1CCC[C@H]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000000757254 425571205 /nfs/dbraw/zinc/57/12/05/425571205.db2.gz MWRGHCWYMGERLO-FQEVSTJZSA-N 2 0 315.505 2.767 50 0 DFAARP Nc1ccc2[nH]c(CCCc3[nH]c4ccc(N)cc4[nH+]3)[nH+]c2c1 ZINC000001504965 425581488 /nfs/dbraw/zinc/58/14/88/425581488.db2.gz YVGGTBMNMKTKDZ-UHFFFAOYSA-N 2 0 306.373 2.779 50 0 DFAARP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCSCC1 ZINC000096500764 426437324 /nfs/dbraw/zinc/43/73/24/426437324.db2.gz GQHYJMYCKNFDHZ-GOSISDBHSA-N 2 0 320.502 2.629 50 0 DFAARP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000097160169 426455230 /nfs/dbraw/zinc/45/52/30/426455230.db2.gz VEVXPYYBQYABPY-ZDUSSCGKSA-N 2 0 304.463 2.960 50 0 DFAARP COc1c(C)cc(C)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000216220950 426557877 /nfs/dbraw/zinc/55/78/77/426557877.db2.gz FTGDVLWEQYYWKX-UHFFFAOYSA-N 2 0 320.477 2.855 50 0 DFAARP C[N@H+](Cc1ccc(CC[NH3+])cc1)Cc1ccc2nsnc2c1 ZINC000216432880 426559539 /nfs/dbraw/zinc/55/95/39/426559539.db2.gz STPHZJLABDFLGP-UHFFFAOYSA-N 2 0 312.442 2.825 50 0 DFAARP COc1cccc(OCC[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000244633147 426724382 /nfs/dbraw/zinc/72/43/82/426724382.db2.gz FXNCBTFVISPCAU-UHFFFAOYSA-N 2 0 318.461 2.930 50 0 DFAARP [NH3+][C@H]1C[C@@H](c2nnc(CN3CCC4(CCCC4)C3)n2C2CC2)C1 ZINC000252503766 427181437 /nfs/dbraw/zinc/18/14/37/427181437.db2.gz VGUHEDHEDIZPSP-OKILXGFUSA-N 2 0 315.465 2.584 50 0 DFAARP Cn1nccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293490252 427339726 /nfs/dbraw/zinc/33/97/26/427339726.db2.gz YZGDAPPWXLXIQA-UHFFFAOYSA-N 2 0 324.472 2.908 50 0 DFAARP CC1(C)C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C(C)(C)O1 ZINC000253426018 276142780 /nfs/dbraw/zinc/14/27/80/276142780.db2.gz XKXLZOCNGMHBBN-MRXNPFEDSA-N 2 0 303.450 2.986 50 0 DFAARP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000069538236 279045534 /nfs/dbraw/zinc/04/55/34/279045534.db2.gz XMLCYXIZXQJSCG-WMZOPIPTSA-N 2 0 317.477 2.526 50 0 DFAARP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012706835 279091380 /nfs/dbraw/zinc/09/13/80/279091380.db2.gz YIDLLDQUTVQDIC-INIZCTEOSA-N 2 0 309.498 2.632 50 0 DFAARP Cc1nc(NCC[NH+]2CCCCCC2)cc(C2CC[NH2+]CC2)n1 ZINC000067981669 293339509 /nfs/dbraw/zinc/33/95/09/293339509.db2.gz QYRKOQXRDQGHNG-UHFFFAOYSA-N 2 0 317.481 2.540 50 0 DFAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000178306235 315990180 /nfs/dbraw/zinc/99/01/80/315990180.db2.gz HQBPPNGTGURMSQ-OAHLLOKOSA-N 2 0 302.462 2.922 50 0 DFAARP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCC[N@H+](C)C2)CCCCCC1 ZINC000534645441 334306954 /nfs/dbraw/zinc/30/69/54/334306954.db2.gz UTGGFHPRGYHFSA-KRWDZBQOSA-N 2 0 323.525 2.879 50 0 DFAARP COC1(OC)CC[C@H]([N@H+](C)Cc2ccccc2)C[C@H]1CC[NH3+] ZINC000725261741 563567811 /nfs/dbraw/zinc/56/78/11/563567811.db2.gz DYGREQAGYOOJFA-SJORKVTESA-N 2 0 306.450 2.625 50 0 DFAARP Cc1cccc(N2CCC([NH2+][C@@H]3CN(C(C)C)C[C@H]3C)CC2)n1 ZINC000230163530 398356659 /nfs/dbraw/zinc/35/66/59/398356659.db2.gz IIWXNRHDSOHGAU-CRAIPNDOSA-N 3 0 316.493 2.677 50 0 DFAARP C[N@H+](Cc1cc2n(n1)CC[NH2+]C2)C[C@]1(c2ccccc2)CC1(C)C ZINC000072121558 191039810 /nfs/dbraw/zinc/03/98/10/191039810.db2.gz OMFWABXWSYDDCQ-FQEVSTJZSA-N 2 0 324.472 2.786 50 0 DFAARP CC(C)[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(CC[NH3+])c2)C1 ZINC000072151033 191055520 /nfs/dbraw/zinc/05/55/20/191055520.db2.gz OGVNLJAHNQVZND-IBGZPJMESA-N 3 0 303.494 2.740 50 0 DFAARP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072436122 191165938 /nfs/dbraw/zinc/16/59/38/191165938.db2.gz MDYVZLBMUNHGNF-HXUWFJFHSA-N 2 0 316.489 2.918 50 0 DFAARP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC000067472786 283165344 /nfs/dbraw/zinc/16/53/44/283165344.db2.gz NMJZPIGGSODBMN-IBGZPJMESA-N 3 0 305.510 2.717 50 0 DFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414201 199155901 /nfs/dbraw/zinc/15/59/01/199155901.db2.gz ZTOLSCYQHXNOCL-RVKKMQEKSA-N 2 0 312.461 2.905 50 0 DFAARP COC[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)CC12CC[NH2+]CC2 ZINC000169789806 399001118 /nfs/dbraw/zinc/00/11/18/399001118.db2.gz ACUOTYDIHGLAFI-INIZCTEOSA-N 2 0 313.445 2.616 50 0 DFAARP COC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CC12CC[NH2+]CC2 ZINC000169789811 399001464 /nfs/dbraw/zinc/00/14/64/399001464.db2.gz KTYVGSWGYCXTBF-MRXNPFEDSA-N 2 0 313.445 2.616 50 0 DFAARP Cc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091365260 193046536 /nfs/dbraw/zinc/04/65/36/193046536.db2.gz WLJZMIXGECUOSY-RTBURBONSA-N 2 0 302.462 2.521 50 0 DFAARP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000187975829 399162436 /nfs/dbraw/zinc/16/24/36/399162436.db2.gz JWLGATTWNVIPRV-WOJBJXKFSA-N 2 0 316.489 2.791 50 0 DFAARP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000187975802 399162581 /nfs/dbraw/zinc/16/25/81/399162581.db2.gz JWLGATTWNVIPRV-UXHICEINSA-N 2 0 316.489 2.791 50 0 DFAARP COc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000020967638 182257362 /nfs/dbraw/zinc/25/73/62/182257362.db2.gz WVIBZVXNBCTDPA-UHFFFAOYSA-N 2 0 313.239 2.547 50 0 DFAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000060161733 184144900 /nfs/dbraw/zinc/14/49/00/184144900.db2.gz WLALDPZXIJGDFL-KRWDZBQOSA-N 2 0 305.466 2.526 50 0 DFAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000191402779 256592305 /nfs/dbraw/zinc/59/23/05/256592305.db2.gz ZECDSLHIODAWPF-UHFFFAOYSA-N 2 0 307.507 2.522 50 0 DFAARP CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000236905211 257239097 /nfs/dbraw/zinc/23/90/97/257239097.db2.gz BVOLCGBVDLOIJH-JQHSSLGASA-N 2 0 317.477 2.655 50 0 DFAARP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069628444 184828306 /nfs/dbraw/zinc/82/83/06/184828306.db2.gz ZFKUTTWFQQJXMI-ZDUSSCGKSA-N 2 0 312.404 2.662 50 0 DFAARP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262052511 146326991 /nfs/dbraw/zinc/32/69/91/146326991.db2.gz QJXIXKLUFJQZKM-VQIMIIECSA-N 2 0 312.461 2.809 50 0 DFAARP Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000670449765 544041989 /nfs/dbraw/zinc/04/19/89/544041989.db2.gz AOUVMNHIVSPQIE-HNNXBMFYSA-N 2 0 300.450 2.740 50 0 DFAARP Cc1cccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](C)C3)CC2)c1C ZINC000065433775 425902685 /nfs/dbraw/zinc/90/26/85/425902685.db2.gz LZOUWHLTCFHKIR-QGZVFWFLSA-N 2 0 301.478 2.814 50 0 DFAARP CCC[NH+]1CCC(N2CCN(c3cc(C)[nH+]c(C)c3)CC2)CC1 ZINC000019840036 425788783 /nfs/dbraw/zinc/78/87/83/425788783.db2.gz GCNGZBVTMDNDTN-UHFFFAOYSA-N 2 0 316.493 2.695 50 0 DFAARP OCC[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000069431851 425939285 /nfs/dbraw/zinc/93/92/85/425939285.db2.gz IRLUTPXVMFBRAL-UHFFFAOYSA-N 2 0 317.260 2.787 50 0 DFAARP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000108464618 426017625 /nfs/dbraw/zinc/01/76/25/426017625.db2.gz NOBONNGYUUDDDU-VYJAJWGXSA-N 2 0 314.473 2.648 50 0 DFAARP CSc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000077406912 426131822 /nfs/dbraw/zinc/13/18/22/426131822.db2.gz JUGCSJZLWLTFTB-UHFFFAOYSA-N 2 0 320.502 2.953 50 0 DFAARP OCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095353208 426366210 /nfs/dbraw/zinc/36/62/10/426366210.db2.gz RPDBGXFTFUETRN-GOSISDBHSA-N 2 0 314.473 2.713 50 0 DFAARP Cc1ccccc1C[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000095968944 426379225 /nfs/dbraw/zinc/37/92/25/426379225.db2.gz GRYRYGLBYJLBSC-QGZVFWFLSA-N 2 0 303.494 2.542 50 0 DFAARP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491284 426435351 /nfs/dbraw/zinc/43/53/51/426435351.db2.gz IDXPHEUFTGJFRC-GDBMZVCRSA-N 2 0 317.433 2.778 50 0 DFAARP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160171 426454895 /nfs/dbraw/zinc/45/48/95/426454895.db2.gz RFMDXJAJCBSRIP-AWEZNQCLSA-N 2 0 302.422 2.800 50 0 DFAARP CN(C)c1cc[nH+]cc1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000189583196 426896128 /nfs/dbraw/zinc/89/61/28/426896128.db2.gz DTABSYQOSBGPOE-OAHLLOKOSA-N 2 0 301.365 2.900 50 0 DFAARP Cc1ccccc1C1CC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000253429135 427208117 /nfs/dbraw/zinc/20/81/17/427208117.db2.gz SGZRYITUJAPKKO-UHFFFAOYSA-N 2 0 315.505 2.857 50 0 DFAARP C[NH+](C)CC[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000299765780 427767838 /nfs/dbraw/zinc/76/78/38/427767838.db2.gz ASSFBVQCISCECV-SFHVURJKSA-N 2 0 317.477 2.672 50 0 DFAARP C[NH+](C)CCC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000242339213 273794614 /nfs/dbraw/zinc/79/46/14/273794614.db2.gz ZFZVVJSAHCTYAH-SFHVURJKSA-N 2 0 315.461 2.604 50 0 DFAARP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3cccn3)CC2)C1 ZINC000095419820 332169766 /nfs/dbraw/zinc/16/97/66/332169766.db2.gz PCSSIBZRKBXHJJ-SJLPKXTDSA-N 2 0 304.482 2.906 50 0 DFAARP C[C@@H]1OC2(C[C@@H]1[NH2+]CCCNc1ccccc1)CC[NH+](C)CC2 ZINC000685940767 546411824 /nfs/dbraw/zinc/41/18/24/546411824.db2.gz UGJBAEAXWIDIIO-WMZOPIPTSA-N 2 0 317.477 2.720 50 0 DFAARP C[C@H](C1CC[NH+](Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCCC1 ZINC000072478521 191179213 /nfs/dbraw/zinc/17/92/13/191179213.db2.gz CYMFJKPEWRYRJW-OAHLLOKOSA-N 2 0 316.493 2.994 50 0 DFAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000075602837 398812715 /nfs/dbraw/zinc/81/27/15/398812715.db2.gz CCEAIHCMROPQSF-DNVCBOLYSA-N 2 0 302.462 2.746 50 0 DFAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000075602836 398812852 /nfs/dbraw/zinc/81/28/52/398812852.db2.gz CCEAIHCMROPQSF-HNAYVOBHSA-N 2 0 302.462 2.746 50 0 DFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414168 199155134 /nfs/dbraw/zinc/15/51/34/199155134.db2.gz ZTOLSCYQHXNOCL-VKJFTORMSA-N 2 0 312.461 2.905 50 0 DFAARP Cc1cc(NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000091474426 193061437 /nfs/dbraw/zinc/06/14/37/193061437.db2.gz UKIUDWJCQLIJMK-MRXNPFEDSA-N 2 0 311.433 2.691 50 0 DFAARP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043586 193145986 /nfs/dbraw/zinc/14/59/86/193145986.db2.gz YRWGLXCCXODRIQ-HKUYNNGSSA-N 2 0 318.461 2.628 50 0 DFAARP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043587 193146488 /nfs/dbraw/zinc/14/64/88/193146488.db2.gz YRWGLXCCXODRIQ-MJGOQNOKSA-N 2 0 318.461 2.628 50 0 DFAARP Fc1ccccc1C[NH+]1CCC(C[NH2+]C[C@H]2CCCO2)CC1 ZINC000019735505 182140071 /nfs/dbraw/zinc/14/00/71/182140071.db2.gz ZWXLBRRULUXMDJ-QGZVFWFLSA-N 2 0 306.425 2.806 50 0 DFAARP C[NH+](C)CC(C)(C)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000023283521 182356534 /nfs/dbraw/zinc/35/65/34/182356534.db2.gz VPSFLDMAIGDNFC-UHFFFAOYSA-N 2 0 303.494 2.828 50 0 DFAARP C[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)C[NH+]1CCCC1 ZINC000048749242 183684859 /nfs/dbraw/zinc/68/48/59/183684859.db2.gz CGBFWLBLRJDKIZ-CYBMUJFWSA-N 2 0 304.463 2.960 50 0 DFAARP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000065382987 184332598 /nfs/dbraw/zinc/33/25/98/184332598.db2.gz RXSCTTVBVZVZEK-IBGZPJMESA-N 2 0 301.478 2.679 50 0 DFAARP c1cn(-c2ccc(CN3CCO[C@H](c4cccnc4)C3)cc2)cn1 ZINC000216073036 542874630 /nfs/dbraw/zinc/87/46/30/542874630.db2.gz CCZLENZPWPVIOD-IBGZPJMESA-N 2 0 320.396 2.841 50 0 DFAARP O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000216077569 542874964 /nfs/dbraw/zinc/87/49/64/542874964.db2.gz CJJSFJCMIDBDSG-HXUWFJFHSA-N 2 0 319.408 2.966 50 0 DFAARP C[NH+](C)CC(C)(C)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000000221449 425546366 /nfs/dbraw/zinc/54/63/66/425546366.db2.gz SWDYZOSBDCGPIR-UHFFFAOYSA-N 2 0 317.521 2.871 50 0 DFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012715232 425734165 /nfs/dbraw/zinc/73/41/65/425734165.db2.gz IJNUGXOECPBXHV-MRXNPFEDSA-N 2 0 321.509 2.630 50 0 DFAARP Cc1cn2c(C[NH2+]CCC3CC[NH+](C)CC3)c(C)nc2s1 ZINC000105454430 425968170 /nfs/dbraw/zinc/96/81/70/425968170.db2.gz VFYYCPRIYFTVIS-UHFFFAOYSA-N 2 0 306.479 2.834 50 0 DFAARP CC(C)(C)OC(=O)NC1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000096102468 426397573 /nfs/dbraw/zinc/39/75/73/426397573.db2.gz QOIZKNIWRBIXPY-UHFFFAOYSA-N 2 0 319.449 2.505 50 0 DFAARP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000097104768 426449167 /nfs/dbraw/zinc/44/91/67/426449167.db2.gz XRZSXCOXCFAURY-MOPGFXCFSA-N 2 0 305.510 2.692 50 0 DFAARP Cc1cc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)ccc1F ZINC000222329698 426582974 /nfs/dbraw/zinc/58/29/74/426582974.db2.gz UITNIFDPEHFMJX-UHFFFAOYSA-N 2 0 320.452 2.804 50 0 DFAARP CSCC[NH+]1CCN(Cc2cccc([C@H](C)[NH+](C)C)c2)CC1 ZINC000216124354 426557526 /nfs/dbraw/zinc/55/75/26/426557526.db2.gz YAWQMCJEBREGLC-INIZCTEOSA-N 2 0 321.534 2.790 50 0 DFAARP CN(C)c1cc[nH+]cc1CN[C@H]1CCOc2ccc(F)cc21 ZINC000189583213 426896973 /nfs/dbraw/zinc/89/69/73/426896973.db2.gz DTABSYQOSBGPOE-HNNXBMFYSA-N 2 0 301.365 2.900 50 0 DFAARP C[NH+](C)C1(CNC(=O)CC[C@H]2CCC[N@H+](C)C2)CCCCCC1 ZINC000534645453 334306985 /nfs/dbraw/zinc/30/69/85/334306985.db2.gz UTGGFHPRGYHFSA-QGZVFWFLSA-N 2 0 323.525 2.879 50 0 DFAARP C[C@H](C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1)[NH+]1CCCC1 ZINC000072457481 191172557 /nfs/dbraw/zinc/17/25/57/191172557.db2.gz DWTZBMCMKKCDRI-QGZVFWFLSA-N 3 0 315.505 2.884 50 0 DFAARP Cc1cc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000091817823 193112569 /nfs/dbraw/zinc/11/25/69/193112569.db2.gz IUBODZYYLMRSGN-UHFFFAOYSA-N 2 0 311.433 2.616 50 0 DFAARP Cc1c[nH]c(C[N@H+](C)CC2CC[NH+](Cc3ccco3)CC2)n1 ZINC000020857441 182249391 /nfs/dbraw/zinc/24/93/91/182249391.db2.gz BVLGGHVUANQLIR-UHFFFAOYSA-N 2 0 302.422 2.655 50 0 DFAARP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1 ZINC000066243289 184398589 /nfs/dbraw/zinc/39/85/89/184398589.db2.gz BQPPOUXPSRQGEG-UHFFFAOYSA-N 2 0 322.456 2.749 50 0 DFAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ncc[nH]3)CC2)o1 ZINC000012301855 542421315 /nfs/dbraw/zinc/42/13/15/542421315.db2.gz IYSNWKBSPNBKHI-UHFFFAOYSA-N 2 0 302.422 2.655 50 0 DFAARP CCc1oc(C(=O)N2CCCC[C@H]2C[NH3+])cc1C[NH+](CC)CC ZINC000055042561 542451818 /nfs/dbraw/zinc/45/18/18/542451818.db2.gz YNRMOMRMSVCVSF-HNNXBMFYSA-N 2 0 321.465 2.637 50 0 DFAARP c1cnn(Cc2ccccc2C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067739958 542459885 /nfs/dbraw/zinc/45/98/85/542459885.db2.gz KBJVZJXXTAORBC-UHFFFAOYSA-N 2 0 310.445 2.507 50 0 DFAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000003682062 257267449 /nfs/dbraw/zinc/26/74/49/257267449.db2.gz QLKQBDWEQOJORL-UHFFFAOYSA-N 2 0 313.436 2.670 50 0 DFAARP Cc1cccc(C[N@H+](C[C@]2(O)CC[NH2+]C2)C2CCCCC2)c1 ZINC000072408599 257270863 /nfs/dbraw/zinc/27/08/63/257270863.db2.gz XWCYVEWBDPRFTL-IBGZPJMESA-N 2 0 302.462 2.854 50 0 DFAARP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c(F)c1)C1CC[NH+](C)CC1 ZINC000090920005 542538598 /nfs/dbraw/zinc/53/85/98/542538598.db2.gz NDDCGECWZWRTEK-AWEZNQCLSA-N 3 0 307.457 2.707 50 0 DFAARP CSCC[NH+]1CCN(Cc2ccc([C@@H](C)[NH+](C)C)cc2)CC1 ZINC000215842029 542874234 /nfs/dbraw/zinc/87/42/34/542874234.db2.gz HUMCUICVSVLAIV-MRXNPFEDSA-N 2 0 321.534 2.790 50 0 DFAARP C[NH+]1CCC(Cc2noc(C[NH+]3CCCCCCC3)n2)CC1 ZINC000067491114 425910976 /nfs/dbraw/zinc/91/09/76/425910976.db2.gz RUXQZUQNKMTKOR-UHFFFAOYSA-N 2 0 306.454 2.720 50 0 DFAARP C[N@@H+]1CCC[C@H]1CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562056 425911512 /nfs/dbraw/zinc/91/15/12/425911512.db2.gz MQDONIGXKAGVCF-INIZCTEOSA-N 2 0 302.397 2.790 50 0 DFAARP Cc1ccc(C[N@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1C ZINC000067869167 425914363 /nfs/dbraw/zinc/91/43/63/425914363.db2.gz BHHSCJYVKCTHGJ-UHFFFAOYSA-N 2 0 315.505 2.905 50 0 DFAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C[C@H]21 ZINC000102552380 425922575 /nfs/dbraw/zinc/92/25/75/425922575.db2.gz MOVNBMBHXSWXDH-LDLYASANSA-N 2 0 316.489 2.630 50 0 DFAARP C[N@@H+](Cc1ccc(Cl)s1)CC1CC[NH+](CCO)CC1 ZINC000071871546 425997560 /nfs/dbraw/zinc/99/75/60/425997560.db2.gz DNDPTDDYNIXYBV-UHFFFAOYSA-N 2 0 302.871 2.538 50 0 DFAARP C[C@@H](C1CC[NH+](Cc2cnc(N(C)C)s2)CC1)[NH+]1CCCC1 ZINC000072421290 426016038 /nfs/dbraw/zinc/01/60/38/426016038.db2.gz HDPPRDAWWBFEEZ-AWEZNQCLSA-N 2 0 322.522 2.905 50 0 DFAARP CCc1c(C)[nH+]c(N)nc1NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000095383365 426371125 /nfs/dbraw/zinc/37/11/25/426371125.db2.gz PHBMPNSHRLVCEK-CYBMUJFWSA-N 2 0 303.454 2.606 50 0 DFAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000095967787 426379153 /nfs/dbraw/zinc/37/91/53/426379153.db2.gz PKIPIKLJFLARTB-OLZOCXBDSA-N 2 0 313.848 2.766 50 0 DFAARP C[C@H]([NH3+])C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000097162636 426456624 /nfs/dbraw/zinc/45/66/24/426456624.db2.gz DTKUHUSVQVMBAW-AWEZNQCLSA-N 2 0 305.441 2.985 50 0 DFAARP COCC[N@H+](C)CCC[NH2+]Cc1cccc(Br)c1 ZINC000097287836 426462908 /nfs/dbraw/zinc/46/29/08/426462908.db2.gz LEKATWVVGUWZCQ-UHFFFAOYSA-N 2 0 315.255 2.507 50 0 DFAARP COc1ccc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)c(OC)c1 ZINC000178956287 426726094 /nfs/dbraw/zinc/72/60/94/426726094.db2.gz RFEBYNGOYUNIKE-KRWDZBQOSA-N 2 0 304.434 2.840 50 0 DFAARP C[NH+]1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000244874285 426729471 /nfs/dbraw/zinc/72/94/71/426729471.db2.gz WYGYCTLJQPBISB-RTBURBONSA-N 2 0 305.510 2.810 50 0 DFAARP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000097033333 277051448 /nfs/dbraw/zinc/05/14/48/277051448.db2.gz HDOSKDIKWPTDKM-LJQANCHMSA-N 2 0 319.468 2.820 50 0 DFAARP CN(Cc1cc(C[NH+]2CCCCC2)cs1)[C@H]1CC[N@H+](C)C1 ZINC000230577324 563773527 /nfs/dbraw/zinc/77/35/27/563773527.db2.gz LKYSPYZCHZAQDU-INIZCTEOSA-N 2 0 307.507 2.870 50 0 DFAARP