smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)Cc1ccccc1 ZINC000159621192 508867115 /nfs/dbraw/zinc/86/71/15/508867115.db2.gz YPVIEYIBAZQUMU-FQEVSTJZSA-N 2 0 360.546 2.677 20 70 FFIDRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)c1ccsc1 ZINC000159620123 508867231 /nfs/dbraw/zinc/86/72/31/508867231.db2.gz PFKOMXVYIJDOED-QGZVFWFLSA-N 2 0 352.548 2.868 20 70 FFIDRP Cc1cnn([C@@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)C[N@@H+](C)C(C)C ZINC000159749810 508884736 /nfs/dbraw/zinc/88/47/36/508884736.db2.gz MKVNHENGBZTMKE-LJQANCHMSA-N 2 0 369.513 2.917 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000160002767 508923365 /nfs/dbraw/zinc/92/33/65/508923365.db2.gz FTDSPKQTNHVQLD-PKOBYXMFSA-N 2 0 362.562 2.909 20 70 FFIDRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1cnn(C)c1 ZINC000160307103 508968515 /nfs/dbraw/zinc/96/85/15/508968515.db2.gz AJMWVOHACPSAIO-NRFANRHFSA-N 2 0 355.530 2.799 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160407701 508982539 /nfs/dbraw/zinc/98/25/39/508982539.db2.gz DOHKKAHERQSWDN-RAUXBKROSA-N 2 0 358.530 2.774 20 70 FFIDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000161195784 509084482 /nfs/dbraw/zinc/08/44/82/509084482.db2.gz CCBWYNQOWMJLEO-FQEVSTJZSA-N 2 0 355.457 2.894 20 70 FFIDRP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161234990 509090143 /nfs/dbraw/zinc/09/01/43/509090143.db2.gz XZYBPQQDNINMKK-INIZCTEOSA-N 2 0 355.482 2.837 20 70 FFIDRP CCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160069712 508934296 /nfs/dbraw/zinc/93/42/96/508934296.db2.gz TWEWYMWCLWEATI-XLIONFOSSA-N 2 0 358.530 2.775 20 70 FFIDRP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161235101 509089659 /nfs/dbraw/zinc/08/96/59/509089659.db2.gz XZYBPQQDNINMKK-MRXNPFEDSA-N 2 0 355.482 2.837 20 70 FFIDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000161256762 509093169 /nfs/dbraw/zinc/09/31/69/509093169.db2.gz CRMQSGLXRPKGDR-FQEVSTJZSA-N 2 0 367.493 2.982 20 70 FFIDRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000161269971 509094651 /nfs/dbraw/zinc/09/46/51/509094651.db2.gz VDVJAQHMBXUXRS-AWEZNQCLSA-N 2 0 370.335 2.504 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000161286231 509096383 /nfs/dbraw/zinc/09/63/83/509096383.db2.gz WSVGOWGYYIFJAW-FUHIMQAGSA-N 2 0 373.545 2.731 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000159783704 508890607 /nfs/dbraw/zinc/89/06/07/508890607.db2.gz NTCDOBUWWAGHFK-QGZVFWFLSA-N 2 0 364.559 2.697 20 70 FFIDRP C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000160002490 508923839 /nfs/dbraw/zinc/92/38/39/508923839.db2.gz FTDSPKQTNHVQLD-HKUYNNGSSA-N 2 0 362.562 2.909 20 70 FFIDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)CC1 ZINC000160050822 508930580 /nfs/dbraw/zinc/93/05/80/508930580.db2.gz AKGUCUKYCMPEAO-HXUWFJFHSA-N 2 0 373.541 2.854 20 70 FFIDRP CC(C)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1-c1ccccc1 ZINC000159723993 508880922 /nfs/dbraw/zinc/88/09/22/508880922.db2.gz BTECNJQFGBUVJM-UHFFFAOYSA-N 2 0 371.529 2.561 20 70 FFIDRP CC1CC[NH+](CCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000159945341 508914956 /nfs/dbraw/zinc/91/49/56/508914956.db2.gz DNPRSNRRCHKPBY-UHFFFAOYSA-N 2 0 352.567 2.872 20 70 FFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2)CC1 ZINC000160331346 508971708 /nfs/dbraw/zinc/97/17/08/508971708.db2.gz QDIFLQZWKFPSGH-OAQYLSRUSA-N 2 0 367.541 2.725 20 70 FFIDRP C(CN1CCCN(CCC[NH+]2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000160430923 508986174 /nfs/dbraw/zinc/98/61/74/508986174.db2.gz VANXQQQHUHLQOX-UHFFFAOYSA-N 2 0 350.595 2.746 20 70 FFIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000159999930 508923198 /nfs/dbraw/zinc/92/31/98/508923198.db2.gz ZSJDDKIBUORRSO-NQIIRXRSSA-N 2 0 372.557 2.880 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160339270 508972560 /nfs/dbraw/zinc/97/25/60/508972560.db2.gz JKBWJKPIIOLXPW-FXAWDEMLSA-N 2 0 358.530 2.633 20 70 FFIDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000160430804 508986172 /nfs/dbraw/zinc/98/61/72/508986172.db2.gz SSKDNPHYYDVSQY-IAGOWNOFSA-N 2 0 358.530 2.797 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000160921962 509047964 /nfs/dbraw/zinc/04/79/64/509047964.db2.gz MYIKNDAEEOZKDC-IBGZPJMESA-N 2 0 350.551 2.767 20 70 FFIDRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001125 509058726 /nfs/dbraw/zinc/05/87/26/509058726.db2.gz YAFIOQDMPQLDPS-OAGGEKHMSA-N 2 0 363.502 2.883 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000161286497 509097186 /nfs/dbraw/zinc/09/71/86/509097186.db2.gz WSVGOWGYYIFJAW-UWVAXJGDSA-N 2 0 373.545 2.731 20 70 FFIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160000068 508923508 /nfs/dbraw/zinc/92/35/08/508923508.db2.gz ZSJDDKIBUORRSO-RXVVDRJESA-N 2 0 372.557 2.880 20 70 FFIDRP C[NH+](C)CCN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000160240033 508959119 /nfs/dbraw/zinc/95/91/19/508959119.db2.gz CQOVCUAFQXXXSJ-UHFFFAOYSA-N 2 0 358.530 2.561 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000160289769 508965522 /nfs/dbraw/zinc/96/55/22/508965522.db2.gz VMVUXJQWAQJXMC-UHFFFAOYSA-N 2 0 372.557 2.808 20 70 FFIDRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000160715294 509024161 /nfs/dbraw/zinc/02/41/61/509024161.db2.gz HHDIDEGYLFTAEJ-KRWDZBQOSA-N 2 0 350.551 2.767 20 70 FFIDRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000160714730 509024352 /nfs/dbraw/zinc/02/43/52/509024352.db2.gz BKRJNGSKCRDEQD-IBGZPJMESA-N 2 0 350.551 2.624 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000160996443 509057889 /nfs/dbraw/zinc/05/78/89/509057889.db2.gz NPLVOJBZISLURP-GOSISDBHSA-N 2 0 364.534 2.863 20 70 FFIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000159962071 508918534 /nfs/dbraw/zinc/91/85/34/508918534.db2.gz PFUVIBBFPJTURR-QGZVKYPTSA-N 2 0 358.530 2.631 20 70 FFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160316842 508969216 /nfs/dbraw/zinc/96/92/16/508969216.db2.gz OFVOONMPFUHXBX-NNMXDRDESA-N 3 0 358.574 2.642 20 70 FFIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000160363579 508976019 /nfs/dbraw/zinc/97/60/19/508976019.db2.gz WUSBOWMHDDSISD-OAQYLSRUSA-N 2 0 367.541 2.725 20 70 FFIDRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000160630122 509012362 /nfs/dbraw/zinc/01/23/62/509012362.db2.gz SARLNBIBYZDHKL-WOJBJXKFSA-N 2 0 362.562 2.624 20 70 FFIDRP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160663705 509016950 /nfs/dbraw/zinc/01/69/50/509016950.db2.gz GXADHSPWIDWVRH-LJQANCHMSA-N 2 0 350.551 2.624 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000159561727 508858838 /nfs/dbraw/zinc/85/88/38/508858838.db2.gz XSJJUAUYJNMHAX-UHFFFAOYSA-N 2 0 358.530 2.910 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000159781159 508889223 /nfs/dbraw/zinc/88/92/23/508889223.db2.gz JEUBMIVUSBJHLL-FQEVSTJZSA-N 2 0 358.530 2.869 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159955499 508916673 /nfs/dbraw/zinc/91/66/73/508916673.db2.gz YVKOMWBZPHMTOB-QUCCMNQESA-N 2 0 358.530 2.777 20 70 FFIDRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1cnn(C)c1 ZINC000160338343 508972542 /nfs/dbraw/zinc/97/25/42/508972542.db2.gz SNKZUSFRZUAQDR-OAQYLSRUSA-N 2 0 355.530 2.799 20 70 FFIDRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000160630039 509012130 /nfs/dbraw/zinc/01/21/30/509012130.db2.gz SARLNBIBYZDHKL-VQTJNVASSA-N 2 0 362.562 2.624 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000160921829 509048016 /nfs/dbraw/zinc/04/80/16/509048016.db2.gz MYIKNDAEEOZKDC-LJQANCHMSA-N 2 0 350.551 2.767 20 70 FFIDRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161160980 509078876 /nfs/dbraw/zinc/07/88/76/509078876.db2.gz XZJHXRWGTBKIRY-ZWKOTPCHSA-N 2 0 373.545 2.590 20 70 FFIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159725607 508880565 /nfs/dbraw/zinc/88/05/65/508880565.db2.gz AMHZYQJEDKBLBV-KNQAVFIVSA-N 3 0 359.558 2.988 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC1 ZINC000159903723 508909428 /nfs/dbraw/zinc/90/94/28/508909428.db2.gz JSIGTDJJLQUMFU-AEFFLSMTSA-N 2 0 364.559 2.868 20 70 FFIDRP C[NH+](C)CCN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000160291700 508965612 /nfs/dbraw/zinc/96/56/12/508965612.db2.gz QPTWCOKLOPHEJG-UHFFFAOYSA-N 2 0 372.557 2.951 20 70 FFIDRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000160689999 509021343 /nfs/dbraw/zinc/02/13/43/509021343.db2.gz MPGCBWBNMYFNNX-WOJBJXKFSA-N 2 0 362.562 2.768 20 70 FFIDRP CCCn1c(C)nnc1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160702265 509022585 /nfs/dbraw/zinc/02/25/85/509022585.db2.gz OALZAEYMAIQDCP-CALCHBBNSA-N 2 0 363.550 2.708 20 70 FFIDRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)o1 ZINC000160779054 509031867 /nfs/dbraw/zinc/03/18/67/509031867.db2.gz DYWLAQGQVUQBCH-QGZVFWFLSA-N 2 0 362.518 2.678 20 70 FFIDRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160804525 509034728 /nfs/dbraw/zinc/03/47/28/509034728.db2.gz TZULAQHZJJLMAE-QGZVFWFLSA-N 2 0 374.529 2.902 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000160939214 509051077 /nfs/dbraw/zinc/05/10/77/509051077.db2.gz VOYVIHCBVHBJJI-GUDVDZBRSA-N 2 0 350.551 2.623 20 70 FFIDRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1F ZINC000161228609 509088752 /nfs/dbraw/zinc/08/87/52/509088752.db2.gz SMSKCLNIFFKXEA-OAHLLOKOSA-N 2 0 373.472 2.977 20 70 FFIDRP NC(=O)[C@@H]1CCCN1C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000159427607 508840964 /nfs/dbraw/zinc/84/09/64/508840964.db2.gz CGUXDCHQGSIKNC-SFHVURJKSA-N 2 0 365.905 2.523 20 70 FFIDRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)Cc1ccccc1 ZINC000159621063 508866798 /nfs/dbraw/zinc/86/67/98/508866798.db2.gz YPVIEYIBAZQUMU-HXUWFJFHSA-N 2 0 360.546 2.677 20 70 FFIDRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159625310 508867857 /nfs/dbraw/zinc/86/78/57/508867857.db2.gz DMNAWRURUOVPBL-KRWDZBQOSA-N 2 0 369.962 2.668 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159920299 508911960 /nfs/dbraw/zinc/91/19/60/508911960.db2.gz ODANHKNDQCAKCD-KVPLUYHFSA-N 2 0 358.530 2.631 20 70 FFIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000159975112 508920041 /nfs/dbraw/zinc/92/00/41/508920041.db2.gz JSAZSHCQHMXASM-NQIIRXRSSA-N 2 0 370.541 2.777 20 70 FFIDRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000161229124 509088845 /nfs/dbraw/zinc/08/88/45/509088845.db2.gz XHWJLCMCFMONDP-NRFANRHFSA-N 2 0 367.493 2.764 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159920692 508911624 /nfs/dbraw/zinc/91/16/24/508911624.db2.gz ODANHKNDQCAKCD-RAUXBKROSA-N 2 0 358.530 2.631 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159947034 508915638 /nfs/dbraw/zinc/91/56/38/508915638.db2.gz LDSFFKBCMFMULP-UYAOXDASSA-N 2 0 370.541 2.919 20 70 FFIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000159961807 508918288 /nfs/dbraw/zinc/91/82/88/508918288.db2.gz PFUVIBBFPJTURR-RAUXBKROSA-N 2 0 358.530 2.631 20 70 FFIDRP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cn1 ZINC000160337217 508972801 /nfs/dbraw/zinc/97/28/01/508972801.db2.gz POJUKCLDUZDADB-GOSISDBHSA-N 2 0 355.530 2.891 20 70 FFIDRP O=C1Nc2ccccc2C12CCC([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000160746366 509028034 /nfs/dbraw/zinc/02/80/34/509028034.db2.gz ILNMIZMDEUTONI-WUZYXKQASA-N 2 0 371.525 2.646 20 70 FFIDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000161160862 509078855 /nfs/dbraw/zinc/07/88/55/509078855.db2.gz XZJHXRWGTBKIRY-ROUUACIJSA-N 2 0 373.545 2.590 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000159870620 508903500 /nfs/dbraw/zinc/90/35/00/508903500.db2.gz SFOKSPSILDFXDL-GOSISDBHSA-N 2 0 358.530 2.949 20 70 FFIDRP CCN(C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160642682 509013302 /nfs/dbraw/zinc/01/33/02/509013302.db2.gz UCEFKVADVDJSGF-DSKINZAPSA-N 2 0 370.541 2.918 20 70 FFIDRP CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160683138 509019311 /nfs/dbraw/zinc/01/93/11/509019311.db2.gz QJOQREOPBHEQIG-HXUWFJFHSA-N 2 0 370.541 2.777 20 70 FFIDRP C[N@H+](CCN1CCN(CCC[NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000161031021 509062276 /nfs/dbraw/zinc/06/22/76/509062276.db2.gz AUXANCZAKJIZJA-UHFFFAOYSA-N 2 0 358.574 2.612 20 70 FFIDRP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000161211611 509086522 /nfs/dbraw/zinc/08/65/22/509086522.db2.gz CVAYPNXVSKNTDK-GOSISDBHSA-N 2 0 352.567 2.870 20 70 FFIDRP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000161273179 509094645 /nfs/dbraw/zinc/09/46/45/509094645.db2.gz IURQCHXDZMUCOV-INIZCTEOSA-N 2 0 357.502 2.606 20 70 FFIDRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161306495 509100006 /nfs/dbraw/zinc/10/00/06/509100006.db2.gz GECMADZBSAUSJJ-GOSISDBHSA-N 2 0 373.545 2.590 20 70 FFIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cn2)CC1 ZINC000159468297 508846256 /nfs/dbraw/zinc/84/62/56/508846256.db2.gz OVIUVEHTWGXXNM-INIZCTEOSA-N 2 0 368.481 2.803 20 70 FFIDRP CC[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000159587575 508862151 /nfs/dbraw/zinc/86/21/51/508862151.db2.gz SWGOREUQJSOGDW-SFHVURJKSA-N 2 0 360.502 2.780 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159920572 508911993 /nfs/dbraw/zinc/91/19/93/508911993.db2.gz ODANHKNDQCAKCD-ONCXSQPRSA-N 2 0 358.530 2.631 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160981522 509056725 /nfs/dbraw/zinc/05/67/25/509056725.db2.gz ZEEFXOZIKYSTDN-MOPGFXCFSA-N 2 0 350.551 2.624 20 70 FFIDRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161085658 509069788 /nfs/dbraw/zinc/06/97/88/509069788.db2.gz PROPMTDSEMZXEI-WBAXXEDZSA-N 2 0 353.532 2.972 20 70 FFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161301337 509099069 /nfs/dbraw/zinc/09/90/69/509099069.db2.gz CCKPOGCGUGPANO-UHFFFAOYSA-N 2 0 361.530 2.944 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000159540115 508855630 /nfs/dbraw/zinc/85/56/30/508855630.db2.gz RLCNJQNCGKHMSY-FQEVSTJZSA-N 2 0 374.529 2.569 20 70 FFIDRP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000159906964 508909015 /nfs/dbraw/zinc/90/90/15/508909015.db2.gz XGJLPEHNIXZDSK-KRWDZBQOSA-N 2 0 351.494 2.925 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000160714738 509024173 /nfs/dbraw/zinc/02/41/73/509024173.db2.gz NSDFPJMZKIDFQI-YLJYHZDGSA-N 2 0 359.514 2.701 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160986454 509057236 /nfs/dbraw/zinc/05/72/36/509057236.db2.gz WQSDNGBNXVTTCW-LJQANCHMSA-N 2 0 352.567 2.870 20 70 FFIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000159924518 508912484 /nfs/dbraw/zinc/91/24/84/508912484.db2.gz KGRUXTPSBMXAGR-NRSPTQNISA-N 2 0 370.541 2.634 20 70 FFIDRP CCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160069595 508934100 /nfs/dbraw/zinc/93/41/00/508934100.db2.gz TWEWYMWCLWEATI-YLJYHZDGSA-N 2 0 358.530 2.775 20 70 FFIDRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160266602 508962668 /nfs/dbraw/zinc/96/26/68/508962668.db2.gz IBQLQVPRIVBHFM-CVEARBPZSA-N 2 0 353.532 2.973 20 70 FFIDRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001226 509058442 /nfs/dbraw/zinc/05/84/42/509058442.db2.gz YAFIOQDMPQLDPS-JYJNAYRXSA-N 2 0 363.502 2.883 20 70 FFIDRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017578 509060316 /nfs/dbraw/zinc/06/03/16/509060316.db2.gz LDGAAFVNMUNHDV-XHSDSOJGSA-N 2 0 363.502 2.883 20 70 FFIDRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000159636808 508869431 /nfs/dbraw/zinc/86/94/31/508869431.db2.gz UCWGREOAMHWCON-ZDUSSCGKSA-N 2 0 353.532 2.555 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000160002617 508923474 /nfs/dbraw/zinc/92/34/74/508923474.db2.gz FTDSPKQTNHVQLD-IEBWSBKVSA-N 2 0 362.562 2.909 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160338886 508972499 /nfs/dbraw/zinc/97/24/99/508972499.db2.gz JKBWJKPIIOLXPW-XLIONFOSSA-N 2 0 358.530 2.633 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000160996569 509057863 /nfs/dbraw/zinc/05/78/63/509057863.db2.gz NPLVOJBZISLURP-SFHVURJKSA-N 2 0 364.534 2.863 20 70 FFIDRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161232253 509090049 /nfs/dbraw/zinc/09/00/49/509090049.db2.gz RVUDAYNIRMVNCH-FQEVSTJZSA-N 2 0 354.498 2.544 20 70 FFIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)Cc3ccccc3)cn2)CC1 ZINC000159506048 508851569 /nfs/dbraw/zinc/85/15/69/508851569.db2.gz QJTZBTITFCPRFU-NRFANRHFSA-N 2 0 368.525 2.571 20 70 FFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000160254390 508961038 /nfs/dbraw/zinc/96/10/38/508961038.db2.gz YVTJJKHVEWGQPM-SFHVURJKSA-N 2 0 355.530 2.608 20 70 FFIDRP CCn1cc([C@H](C)[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cn1 ZINC000160337338 508972630 /nfs/dbraw/zinc/97/26/30/508972630.db2.gz POJUKCLDUZDADB-SFHVURJKSA-N 2 0 355.530 2.891 20 70 FFIDRP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160663824 509016560 /nfs/dbraw/zinc/01/65/60/509016560.db2.gz GXADHSPWIDWVRH-IBGZPJMESA-N 2 0 350.551 2.624 20 70 FFIDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000160748697 509028212 /nfs/dbraw/zinc/02/82/12/509028212.db2.gz ZUHGAROPNJPNJK-YZGWKJHDSA-N 2 0 362.562 2.767 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000160860628 509040783 /nfs/dbraw/zinc/04/07/83/509040783.db2.gz JZGLIFRTTXFMJB-UHFFFAOYSA-N 2 0 360.546 2.882 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160981384 509056487 /nfs/dbraw/zinc/05/64/87/509056487.db2.gz ZEEFXOZIKYSTDN-RTBURBONSA-N 2 0 350.551 2.624 20 70 FFIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161160722 509078749 /nfs/dbraw/zinc/07/87/49/509078749.db2.gz UPBICPFBFDAVQQ-QGZVFWFLSA-N 2 0 361.534 2.589 20 70 FFIDRP CC(C)[N@H+](CCc1nccs1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159510444 508851415 /nfs/dbraw/zinc/85/14/15/508851415.db2.gz KKKDQGVPUWLSOJ-GOSISDBHSA-N 2 0 374.554 2.815 20 70 FFIDRP NC(=O)N1CCC([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000159705065 508878218 /nfs/dbraw/zinc/87/82/18/508878218.db2.gz IQGKGRBSXMQLBE-UHFFFAOYSA-N 2 0 372.557 2.854 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159949124 508915758 /nfs/dbraw/zinc/91/57/58/508915758.db2.gz BGRCTQNTJLOXIQ-ICSRJNTNSA-N 2 0 358.530 2.634 20 70 FFIDRP Cc1c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000160196285 508952966 /nfs/dbraw/zinc/95/29/66/508952966.db2.gz CFIMSUVCXOQXKY-MRXNPFEDSA-N 2 0 373.520 2.996 20 70 FFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cc2)CC1 ZINC000160331485 508971657 /nfs/dbraw/zinc/97/16/57/508971657.db2.gz QDIFLQZWKFPSGH-NRFANRHFSA-N 2 0 367.541 2.725 20 70 FFIDRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000161463494 509118955 /nfs/dbraw/zinc/11/89/55/509118955.db2.gz UOMBCLFIUSGTNG-UHFFFAOYSA-N 2 0 368.481 2.891 20 70 FFIDRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)C[NH+]1CCCCC1 ZINC000160706209 509022813 /nfs/dbraw/zinc/02/28/13/509022813.db2.gz NAAYHBXZIGPVEC-SFHVURJKSA-N 2 0 352.567 2.872 20 70 FFIDRP O=C1Nc2ccccc2C12CCC([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000160746508 509028378 /nfs/dbraw/zinc/02/83/78/509028378.db2.gz ILNMIZMDEUTONI-DKTYTTGXSA-N 2 0 371.525 2.646 20 70 FFIDRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000161298443 509099011 /nfs/dbraw/zinc/09/90/11/509099011.db2.gz IYRPTVQNDLACHW-SFHVURJKSA-N 2 0 374.529 2.556 20 70 FFIDRP CC[NH+](CC)CC(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159761673 508886421 /nfs/dbraw/zinc/88/64/21/508886421.db2.gz QARBDGHSTYWFBA-IBGZPJMESA-N 2 0 369.513 2.919 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000159857050 508901880 /nfs/dbraw/zinc/90/18/80/508901880.db2.gz MACKYSGHMLHTPB-OAQYLSRUSA-N 2 0 374.573 2.923 20 70 FFIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159993826 508921434 /nfs/dbraw/zinc/92/14/34/508921434.db2.gz MSBMVSORQVDZRH-GIVPXCGWSA-N 2 0 370.541 2.777 20 70 FFIDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000160053177 508930850 /nfs/dbraw/zinc/93/08/50/508930850.db2.gz SJNBWRJQFRAGJR-QGZVFWFLSA-N 2 0 371.447 2.840 20 70 FFIDRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160266695 508962442 /nfs/dbraw/zinc/96/24/42/508962442.db2.gz IBQLQVPRIVBHFM-HOTGVXAUSA-N 2 0 353.532 2.973 20 70 FFIDRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000160304392 508967614 /nfs/dbraw/zinc/96/76/14/508967614.db2.gz BGCUPNWEKWPTIK-ROUUACIJSA-N 2 0 352.567 2.870 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000160738796 509026790 /nfs/dbraw/zinc/02/67/90/509026790.db2.gz WANWWVYPXZLOTD-WIYYLYMNSA-N 2 0 356.514 2.819 20 70 FFIDRP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160873083 509042431 /nfs/dbraw/zinc/04/24/31/509042431.db2.gz YYGHTXVXQRHEER-ZDUSSCGKSA-N 2 0 351.292 2.886 20 70 FFIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000159961685 508918482 /nfs/dbraw/zinc/91/84/82/508918482.db2.gz PFUVIBBFPJTURR-ONCXSQPRSA-N 2 0 358.530 2.631 20 70 FFIDRP CC(=O)NC1CCC([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000161256445 509093082 /nfs/dbraw/zinc/09/30/82/509093082.db2.gz SKZWCBSDAWTXMK-WZGNDQMWSA-N 2 0 373.541 2.833 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160362054 508976176 /nfs/dbraw/zinc/97/61/76/508976176.db2.gz WTDPZXBVIBWTQG-HOJAQTOUSA-N 2 0 356.514 2.529 20 70 FFIDRP CC[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000159580552 508861501 /nfs/dbraw/zinc/86/15/01/508861501.db2.gz KGDUWNUGGQFDQN-SFHVURJKSA-N 2 0 360.502 2.780 20 70 FFIDRP C[NH+](C)CCN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000160019144 508926828 /nfs/dbraw/zinc/92/68/28/508926828.db2.gz QABURKARTPBMHD-UHFFFAOYSA-N 2 0 373.545 2.562 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160154432 508946878 /nfs/dbraw/zinc/94/68/78/508946878.db2.gz PDZJEYQBVSDZRL-GIVPXCGWSA-N 2 0 370.541 2.919 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160683042 509019679 /nfs/dbraw/zinc/01/96/79/509019679.db2.gz AEYIRQZQOJFUKI-DOTOQJQBSA-N 2 0 359.514 2.804 20 70 FFIDRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000160690124 509021373 /nfs/dbraw/zinc/02/13/73/509021373.db2.gz MPGCBWBNMYFNNX-PMACEKPBSA-N 2 0 362.562 2.768 20 70 FFIDRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160804627 509034694 /nfs/dbraw/zinc/03/46/94/509034694.db2.gz TZULAQHZJJLMAE-KRWDZBQOSA-N 2 0 374.529 2.902 20 70 FFIDRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161188836 509082660 /nfs/dbraw/zinc/08/26/60/509082660.db2.gz RHHOVOZYICANGQ-KRWDZBQOSA-N 2 0 373.545 2.779 20 70 FFIDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159955687 508916640 /nfs/dbraw/zinc/91/66/40/508916640.db2.gz ITQVAHHREUDHLL-FYZZASKESA-N 2 0 370.541 2.775 20 70 FFIDRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000160011919 508925006 /nfs/dbraw/zinc/92/50/06/508925006.db2.gz WLEVYAOKLILYMW-DFQSSKMNSA-N 2 0 358.530 2.633 20 70 FFIDRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000160150294 508945892 /nfs/dbraw/zinc/94/58/92/508945892.db2.gz QLTYSIRHCNHGFE-UHFFFAOYSA-N 2 0 361.555 2.840 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000160731489 509025909 /nfs/dbraw/zinc/02/59/09/509025909.db2.gz LUEIHWVXHJYNMQ-OAQYLSRUSA-N 2 0 374.573 2.923 20 70 FFIDRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+]1CCC(C)CC1 ZINC000161211485 509086677 /nfs/dbraw/zinc/08/66/77/509086677.db2.gz CVAYPNXVSKNTDK-SFHVURJKSA-N 2 0 352.567 2.870 20 70 FFIDRP C[NH+](Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159785610 508890376 /nfs/dbraw/zinc/89/03/76/508890376.db2.gz JAAOBYNTKSQKIS-CMOCDZPBSA-N 2 0 360.542 2.872 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000159870468 508903392 /nfs/dbraw/zinc/90/33/92/508903392.db2.gz SFOKSPSILDFXDL-SFHVURJKSA-N 2 0 358.530 2.949 20 70 FFIDRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160093113 508937288 /nfs/dbraw/zinc/93/72/88/508937288.db2.gz YXIIESKPGYYECW-PXNSSMCTSA-N 2 0 358.530 2.821 20 70 FFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160171815 508949037 /nfs/dbraw/zinc/94/90/37/508949037.db2.gz QSZDYOOVZMIYMM-INIZCTEOSA-N 2 0 373.545 2.647 20 70 FFIDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000161195670 509084184 /nfs/dbraw/zinc/08/41/84/509084184.db2.gz CCBWYNQOWMJLEO-HXUWFJFHSA-N 2 0 355.457 2.894 20 70 FFIDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000161256658 509093051 /nfs/dbraw/zinc/09/30/51/509093051.db2.gz CRMQSGLXRPKGDR-HXUWFJFHSA-N 2 0 367.493 2.982 20 70 FFIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161302290 509099532 /nfs/dbraw/zinc/09/95/32/509099532.db2.gz DMFAEYLZJIFCGV-UHFFFAOYSA-N 2 0 373.541 2.599 20 70 FFIDRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C2CCOCC2)CC1)c1ccccc1 ZINC000159483078 508848698 /nfs/dbraw/zinc/84/86/98/508848698.db2.gz CYODHLCJVMZIHX-NRFANRHFSA-N 2 0 373.541 2.544 20 70 FFIDRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160684269 509020357 /nfs/dbraw/zinc/02/03/57/509020357.db2.gz DFIUUWIKWREPNM-HXUWFJFHSA-N 2 0 358.530 2.553 20 70 FFIDRP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000160714587 509024316 /nfs/dbraw/zinc/02/43/16/509024316.db2.gz BKRJNGSKCRDEQD-LJQANCHMSA-N 2 0 350.551 2.624 20 70 FFIDRP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001017 509058500 /nfs/dbraw/zinc/05/85/00/509058500.db2.gz YAFIOQDMPQLDPS-XHSDSOJGSA-N 2 0 363.502 2.883 20 70 FFIDRP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161276125 509095697 /nfs/dbraw/zinc/09/56/97/509095697.db2.gz HZVRALMVYRHFDP-INIZCTEOSA-N 2 0 363.468 2.985 20 70 FFIDRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000159907105 508909183 /nfs/dbraw/zinc/90/91/83/508909183.db2.gz XGJLPEHNIXZDSK-QGZVFWFLSA-N 2 0 351.494 2.925 20 70 FFIDRP C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000159920439 508911691 /nfs/dbraw/zinc/91/16/91/508911691.db2.gz ODANHKNDQCAKCD-QGZVKYPTSA-N 2 0 358.530 2.631 20 70 FFIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000160013191 508925866 /nfs/dbraw/zinc/92/58/66/508925866.db2.gz JAFWJAAZWWUEIM-AYWYSENESA-N 2 0 370.541 2.633 20 70 FFIDRP COc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1OC(F)F ZINC000160184795 508951275 /nfs/dbraw/zinc/95/12/75/508951275.db2.gz GISJMFGPXKUXBT-CQSZACIVSA-N 2 0 371.472 2.973 20 70 FFIDRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000160288320 508965667 /nfs/dbraw/zinc/96/56/67/508965667.db2.gz IQYAMPSBWUCHBC-QGZVFWFLSA-N 2 0 361.534 2.670 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCOC2=O)cc1 ZINC000160678710 509018670 /nfs/dbraw/zinc/01/86/70/509018670.db2.gz ILOFWRWQQATNIY-QFBILLFUSA-N 2 0 361.486 2.531 20 70 FFIDRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000160689854 509020982 /nfs/dbraw/zinc/02/09/82/509020982.db2.gz MPGCBWBNMYFNNX-VQTJNVASSA-N 2 0 362.562 2.768 20 70 FFIDRP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161276002 509095673 /nfs/dbraw/zinc/09/56/73/509095673.db2.gz HZVRALMVYRHFDP-MRXNPFEDSA-N 2 0 363.468 2.985 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000161352915 509106298 /nfs/dbraw/zinc/10/62/98/509106298.db2.gz MKBDBMRDIGWHCG-UWVAXJGDSA-N 2 0 373.545 2.589 20 70 FFIDRP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159952955 508916457 /nfs/dbraw/zinc/91/64/57/508916457.db2.gz YOQQNVAQIXCSIK-FQEVSTJZSA-N 2 0 358.530 2.777 20 70 FFIDRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160093390 508937517 /nfs/dbraw/zinc/93/75/17/508937517.db2.gz YXIIESKPGYYECW-FXAWDEMLSA-N 2 0 358.530 2.821 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000160122365 508940946 /nfs/dbraw/zinc/94/09/46/508940946.db2.gz FNIGZMRRMXRTQW-UHFFFAOYSA-N 2 0 373.545 2.945 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160677554 509018650 /nfs/dbraw/zinc/01/86/50/509018650.db2.gz GRTNLEWIYQJPPX-OXJNMPFZSA-N 2 0 374.529 2.858 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000159540243 508855441 /nfs/dbraw/zinc/85/54/41/508855441.db2.gz RLCNJQNCGKHMSY-HXUWFJFHSA-N 2 0 374.529 2.569 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159884568 508906098 /nfs/dbraw/zinc/90/60/98/508906098.db2.gz SRYOLRFVOHHQDG-RLLQIKCJSA-N 2 0 358.530 2.633 20 70 FFIDRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000159936824 508914221 /nfs/dbraw/zinc/91/42/21/508914221.db2.gz XYSFMRUBSIRFCW-ZSXPUABSSA-N 2 0 372.557 2.879 20 70 FFIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000160363728 508976244 /nfs/dbraw/zinc/97/62/44/508976244.db2.gz WUSBOWMHDDSISD-NRFANRHFSA-N 2 0 367.541 2.725 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160677674 509018757 /nfs/dbraw/zinc/01/87/57/509018757.db2.gz GRTNLEWIYQJPPX-OXQOHEQNSA-N 2 0 374.529 2.858 20 70 FFIDRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161306388 509099819 /nfs/dbraw/zinc/09/98/19/509099819.db2.gz GECMADZBSAUSJJ-SFHVURJKSA-N 2 0 373.545 2.590 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000161329712 509102576 /nfs/dbraw/zinc/10/25/76/509102576.db2.gz GGBGJIMIFVASKU-ROUUACIJSA-N 2 0 373.545 2.590 20 70 FFIDRP CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000160630363 509012422 /nfs/dbraw/zinc/01/24/22/509012422.db2.gz SARLNBIBYZDHKL-UXHICEINSA-N 2 0 362.562 2.624 20 70 FFIDRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161085326 509069481 /nfs/dbraw/zinc/06/94/81/509069481.db2.gz PROPMTDSEMZXEI-OLMNPRSZSA-N 2 0 353.532 2.972 20 70 FFIDRP COc1ccc(C[NH+]2CCC(C[NH2+]C3CCC(NC(C)=O)CC3)CC2)cc1 ZINC000161384010 509109183 /nfs/dbraw/zinc/10/91/83/509109183.db2.gz RFUIGZUURNCQDF-UHFFFAOYSA-N 2 0 373.541 2.944 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000159782126 508890203 /nfs/dbraw/zinc/89/02/03/508890203.db2.gz UEXYUTSICAPQBZ-UHFFFAOYSA-N 2 0 364.559 2.697 20 70 FFIDRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000161270046 509095025 /nfs/dbraw/zinc/09/50/25/509095025.db2.gz VDVJAQHMBXUXRS-CQSZACIVSA-N 2 0 370.335 2.504 20 70 FFIDRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000161281034 509096477 /nfs/dbraw/zinc/09/64/77/509096477.db2.gz LVKKJGPQTOYCIM-OAHLLOKOSA-N 2 0 369.465 2.558 20 70 FFIDRP CC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000159575451 508860442 /nfs/dbraw/zinc/86/04/42/508860442.db2.gz ZELQIIUOGYBSFM-UHFFFAOYSA-N 2 0 350.551 2.768 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000159846244 508900231 /nfs/dbraw/zinc/90/02/31/508900231.db2.gz OKOSWNJECRRSSA-SEJPIABJSA-N 2 0 370.541 2.919 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160407577 508983064 /nfs/dbraw/zinc/98/30/64/508983064.db2.gz DOHKKAHERQSWDN-PIKOESSRSA-N 2 0 358.530 2.774 20 70 FFIDRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017976 509061008 /nfs/dbraw/zinc/06/10/08/509061008.db2.gz LDGAAFVNMUNHDV-PMPSAXMXSA-N 2 0 363.502 2.883 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000161286367 509096580 /nfs/dbraw/zinc/09/65/80/509096580.db2.gz WSVGOWGYYIFJAW-ABSDTBQOSA-N 2 0 373.545 2.731 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000161329473 509102591 /nfs/dbraw/zinc/10/25/91/509102591.db2.gz GGBGJIMIFVASKU-ZWKOTPCHSA-N 2 0 373.545 2.590 20 70 FFIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000159975265 508920054 /nfs/dbraw/zinc/92/00/54/508920054.db2.gz JSAZSHCQHMXASM-RXVVDRJESA-N 2 0 370.541 2.777 20 70 FFIDRP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000161256202 509093222 /nfs/dbraw/zinc/09/32/22/509093222.db2.gz SKZWCBSDAWTXMK-RGMRCXJASA-N 2 0 373.541 2.833 20 70 FFIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000161329828 509102835 /nfs/dbraw/zinc/10/28/35/509102835.db2.gz GGBGJIMIFVASKU-MSOLQXFVSA-N 2 0 373.545 2.590 20 70 FFIDRP O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(CN2CCOCC2)cc1 ZINC000159616567 508866229 /nfs/dbraw/zinc/86/62/29/508866229.db2.gz AQKUIOBXCODWLB-ICSRJNTNSA-N 2 0 357.498 2.722 20 70 FFIDRP Cc1cnn([C@H]2CC[NH+](Cc3ccccc3)C2)c1NC(=O)C[N@@H+](C)C(C)C ZINC000159749946 508884726 /nfs/dbraw/zinc/88/47/26/508884726.db2.gz MKVNHENGBZTMKE-IBGZPJMESA-N 2 0 369.513 2.917 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000159781266 508889937 /nfs/dbraw/zinc/88/99/37/508889937.db2.gz JEUBMIVUSBJHLL-HXUWFJFHSA-N 2 0 358.530 2.869 20 70 FFIDRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000160630230 509012382 /nfs/dbraw/zinc/01/23/82/509012382.db2.gz SARLNBIBYZDHKL-PMACEKPBSA-N 2 0 362.562 2.624 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160683191 509019596 /nfs/dbraw/zinc/01/95/96/509019596.db2.gz AEYIRQZQOJFUKI-NVXWUHKLSA-N 2 0 359.514 2.804 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 ZINC000159604434 508864342 /nfs/dbraw/zinc/86/43/42/508864342.db2.gz VMXGGLOTMIJCHE-UHFFFAOYSA-N 2 0 359.518 2.699 20 70 FFIDRP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160092986 508937451 /nfs/dbraw/zinc/93/74/51/508937451.db2.gz YXIIESKPGYYECW-XLIONFOSSA-N 2 0 358.530 2.821 20 70 FFIDRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1cnn(C)c1 ZINC000160307218 508968102 /nfs/dbraw/zinc/96/81/02/508968102.db2.gz AJMWVOHACPSAIO-OAQYLSRUSA-N 2 0 355.530 2.799 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160407793 508983228 /nfs/dbraw/zinc/98/32/28/508983228.db2.gz DOHKKAHERQSWDN-BWPNAZKDSA-N 2 0 358.530 2.774 20 70 FFIDRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000160929082 509049810 /nfs/dbraw/zinc/04/98/10/509049810.db2.gz SGWKBPDFPFEYPK-QYZOEREBSA-N 2 0 352.567 2.869 20 70 FFIDRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017713 509060223 /nfs/dbraw/zinc/06/02/23/509060223.db2.gz LDGAAFVNMUNHDV-OAGGEKHMSA-N 2 0 363.502 2.883 20 70 FFIDRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000161122179 509074427 /nfs/dbraw/zinc/07/44/27/509074427.db2.gz HBFKOZIHNYGERU-LJQANCHMSA-N 2 0 361.505 2.886 20 70 FFIDRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161246555 509091908 /nfs/dbraw/zinc/09/19/08/509091908.db2.gz OYOJROFTZZJGCM-PXNSSMCTSA-N 2 0 373.545 2.589 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000159597395 508863938 /nfs/dbraw/zinc/86/39/38/508863938.db2.gz KQIRHHXCCPIMNG-UHFFFAOYSA-N 2 0 358.530 2.697 20 70 FFIDRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000159636943 508869606 /nfs/dbraw/zinc/86/96/06/508869606.db2.gz UCWGREOAMHWCON-CYBMUJFWSA-N 2 0 353.532 2.555 20 70 FFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160177342 508949841 /nfs/dbraw/zinc/94/98/41/508949841.db2.gz YCZUSELUJDCSGC-OAHLLOKOSA-N 2 0 358.530 2.593 20 70 FFIDRP Cc1c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000160196420 508953018 /nfs/dbraw/zinc/95/30/18/508953018.db2.gz CFIMSUVCXOQXKY-INIZCTEOSA-N 2 0 373.520 2.996 20 70 FFIDRP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160304292 508967350 /nfs/dbraw/zinc/96/73/50/508967350.db2.gz BGCUPNWEKWPTIK-MSOLQXFVSA-N 2 0 352.567 2.870 20 70 FFIDRP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C(C)C)nc(N(C)C)n2)[C@H](C)C1 ZINC000159802411 508892971 /nfs/dbraw/zinc/89/29/71/508892971.db2.gz ICTWKINFZICFKJ-CVEARBPZSA-N 2 0 364.538 2.610 20 70 FFIDRP C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159884716 508905810 /nfs/dbraw/zinc/90/58/10/508905810.db2.gz SRYOLRFVOHHQDG-SXLOBPIMSA-N 2 0 358.530 2.633 20 70 FFIDRP CCC[NH+]1CCN(c2ccccc2CNCc2c(C)nn(C)c2OC)CC1 ZINC000160121390 508941466 /nfs/dbraw/zinc/94/14/66/508941466.db2.gz FCEGKCXDKRTNRY-UHFFFAOYSA-N 2 0 371.529 2.559 20 70 FFIDRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160220723 508955808 /nfs/dbraw/zinc/95/58/08/508955808.db2.gz GTLHENTXMAMNLQ-QGZVFWFLSA-N 2 0 355.530 2.857 20 70 FFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000160254501 508961108 /nfs/dbraw/zinc/96/11/08/508961108.db2.gz YVTJJKHVEWGQPM-GOSISDBHSA-N 2 0 355.530 2.608 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCOC2=O)cc1 ZINC000160678827 509018197 /nfs/dbraw/zinc/01/81/97/509018197.db2.gz ILOFWRWQQATNIY-VQIMIIECSA-N 2 0 361.486 2.531 20 70 FFIDRP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000161122286 509074103 /nfs/dbraw/zinc/07/41/03/509074103.db2.gz HBFKOZIHNYGERU-IBGZPJMESA-N 2 0 361.505 2.886 20 70 FFIDRP CC(=O)NC1CCC([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000161256318 509093152 /nfs/dbraw/zinc/09/31/52/509093152.db2.gz SKZWCBSDAWTXMK-UOBYYGQQSA-N 2 0 373.541 2.833 20 70 FFIDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000160430536 508986224 /nfs/dbraw/zinc/98/62/24/508986224.db2.gz SSKDNPHYYDVSQY-CALCHBBNSA-N 2 0 358.530 2.797 20 70 FFIDRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000161298333 509098948 /nfs/dbraw/zinc/09/89/48/509098948.db2.gz IYRPTVQNDLACHW-GOSISDBHSA-N 2 0 374.529 2.556 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)CC1 ZINC000159903590 508909034 /nfs/dbraw/zinc/90/90/34/508909034.db2.gz JSIGTDJJLQUMFU-WMZOPIPTSA-N 2 0 364.559 2.868 20 70 FFIDRP CCn1nccc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000160037995 508929129 /nfs/dbraw/zinc/92/91/29/508929129.db2.gz GTCSKIDSOVHTBD-UHFFFAOYSA-N 2 0 355.530 2.591 20 70 FFIDRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161232136 509090165 /nfs/dbraw/zinc/09/01/65/509090165.db2.gz RVUDAYNIRMVNCH-HXUWFJFHSA-N 2 0 354.498 2.544 20 70 FFIDRP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000161263141 509093989 /nfs/dbraw/zinc/09/39/89/509093989.db2.gz RPSVTFSLEODSQJ-QGZVFWFLSA-N 2 0 372.538 2.910 20 70 FFIDRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C2CCOCC2)CC1)c1ccccc1 ZINC000159483222 508848545 /nfs/dbraw/zinc/84/85/45/508848545.db2.gz CYODHLCJVMZIHX-OAQYLSRUSA-N 2 0 373.541 2.544 20 70 FFIDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000160689146 509020177 /nfs/dbraw/zinc/02/01/77/509020177.db2.gz HOTLVUGSNLIETQ-JOCHJYFZSA-N 2 0 359.558 2.520 20 70 FFIDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000160715147 509024512 /nfs/dbraw/zinc/02/45/12/509024512.db2.gz HHDIDEGYLFTAEJ-QGZVFWFLSA-N 2 0 350.551 2.767 20 70 FFIDRP CC(C)[N@H+](CCc1nccs1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159510297 508851551 /nfs/dbraw/zinc/85/15/51/508851551.db2.gz KKKDQGVPUWLSOJ-SFHVURJKSA-N 2 0 374.554 2.815 20 70 FFIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C(C)C)c3)cn2)CC1 ZINC000159534060 508854257 /nfs/dbraw/zinc/85/42/57/508854257.db2.gz QHBVLAUYKYDCGJ-QGZVFWFLSA-N 2 0 356.518 2.852 20 70 FFIDRP C[NH+](Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@@H]1CCC[C@@H]1O ZINC000159668870 508873366 /nfs/dbraw/zinc/87/33/66/508873366.db2.gz ZERNICYGASZJNW-CMOCDZPBSA-N 2 0 360.542 2.872 20 70 FFIDRP COc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1OC(F)F ZINC000160184650 508951306 /nfs/dbraw/zinc/95/13/06/508951306.db2.gz GISJMFGPXKUXBT-AWEZNQCLSA-N 2 0 371.472 2.973 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000159699933 508877090 /nfs/dbraw/zinc/87/70/90/508877090.db2.gz NXARWUWWSHVLDF-UHFFFAOYSA-N 2 0 362.493 2.527 20 70 FFIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159725731 508880458 /nfs/dbraw/zinc/88/04/58/508880458.db2.gz AMHZYQJEDKBLBV-UGKGYDQZSA-N 3 0 359.558 2.988 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159946836 508915675 /nfs/dbraw/zinc/91/56/75/508915675.db2.gz LDSFFKBCMFMULP-QUCCMNQESA-N 2 0 370.541 2.919 20 70 FFIDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000160409337 508983207 /nfs/dbraw/zinc/98/32/07/508983207.db2.gz HCAFQMMWHLFIQT-KCLUMXDGSA-N 2 0 370.541 2.918 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCOC2=O)c1 ZINC000160705205 509022759 /nfs/dbraw/zinc/02/27/59/509022759.db2.gz HHFAJUZHCMBUIT-QFBILLFUSA-N 2 0 361.486 2.531 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCOC2=O)c1 ZINC000160705340 509022886 /nfs/dbraw/zinc/02/28/86/509022886.db2.gz HHFAJUZHCMBUIT-VQIMIIECSA-N 2 0 361.486 2.531 20 70 FFIDRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000161329587 509102692 /nfs/dbraw/zinc/10/26/92/509102692.db2.gz GGBGJIMIFVASKU-QZTJIDSGSA-N 2 0 373.545 2.590 20 70 FFIDRP CC[NH+](CC)CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159761547 508886436 /nfs/dbraw/zinc/88/64/36/508886436.db2.gz QARBDGHSTYWFBA-LJQANCHMSA-N 2 0 369.513 2.919 20 70 FFIDRP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159952833 508916722 /nfs/dbraw/zinc/91/67/22/508916722.db2.gz YOQQNVAQIXCSIK-HXUWFJFHSA-N 2 0 358.530 2.777 20 70 FFIDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000160053297 508930605 /nfs/dbraw/zinc/93/06/05/508930605.db2.gz SJNBWRJQFRAGJR-KRWDZBQOSA-N 2 0 371.447 2.840 20 70 FFIDRP COc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000160676785 509018466 /nfs/dbraw/zinc/01/84/66/509018466.db2.gz DLMANDAQJFHZBI-DLBZAZTESA-N 2 0 350.503 2.900 20 70 FFIDRP COc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000160676670 509018634 /nfs/dbraw/zinc/01/86/34/509018634.db2.gz DLMANDAQJFHZBI-IAGOWNOFSA-N 2 0 350.503 2.900 20 70 FFIDRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1NC(C)=O ZINC000160735543 509026640 /nfs/dbraw/zinc/02/66/40/509026640.db2.gz NTUBHZBYLHLDOC-MAUKXSAKSA-N 2 0 363.502 2.541 20 70 FFIDRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1NC(C)=O ZINC000160735653 509026818 /nfs/dbraw/zinc/02/68/18/509026818.db2.gz NTUBHZBYLHLDOC-CRAIPNDOSA-N 2 0 363.502 2.541 20 70 FFIDRP Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)n1 ZINC000161175789 509081306 /nfs/dbraw/zinc/08/13/06/509081306.db2.gz GMYUISXDFXFPIX-HNNXBMFYSA-N 2 0 354.498 2.901 20 70 FFIDRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000161228999 509088780 /nfs/dbraw/zinc/08/87/80/509088780.db2.gz XHWJLCMCFMONDP-OAQYLSRUSA-N 2 0 367.493 2.764 20 70 FFIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C(C)C)c3)cn2)CC1 ZINC000159533968 508854769 /nfs/dbraw/zinc/85/47/69/508854769.db2.gz QHBVLAUYKYDCGJ-KRWDZBQOSA-N 2 0 356.518 2.852 20 70 FFIDRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160008950 508925086 /nfs/dbraw/zinc/92/50/86/508925086.db2.gz NPTHFBYXKRKKKH-ICSRJNTNSA-N 2 0 358.530 2.633 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160333057 508971885 /nfs/dbraw/zinc/97/18/85/508971885.db2.gz JYDYHJJTHYIEGF-NRSPTQNISA-N 2 0 370.541 2.777 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160362338 508975860 /nfs/dbraw/zinc/97/58/60/508975860.db2.gz WTDPZXBVIBWTQG-RLLQIKCJSA-N 2 0 356.514 2.529 20 70 FFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCCC2=O)cc1 ZINC000160744323 509027395 /nfs/dbraw/zinc/02/73/95/509027395.db2.gz UMSIDJMQDBVQQY-YLJYHZDGSA-N 2 0 359.514 2.701 20 70 FFIDRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161188936 509083196 /nfs/dbraw/zinc/08/31/96/509083196.db2.gz RHHOVOZYICANGQ-QGZVFWFLSA-N 2 0 373.545 2.779 20 70 FFIDRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161268018 509094880 /nfs/dbraw/zinc/09/48/80/509094880.db2.gz BCPIWHWFUHLRRN-MRXNPFEDSA-N 2 0 355.482 2.837 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000161353027 509106190 /nfs/dbraw/zinc/10/61/90/509106190.db2.gz MKBDBMRDIGWHCG-ZWOKBUDYSA-N 2 0 373.545 2.589 20 70 FFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160177249 508949986 /nfs/dbraw/zinc/94/99/86/508949986.db2.gz YCZUSELUJDCSGC-HNNXBMFYSA-N 2 0 358.530 2.593 20 70 FFIDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C2)CC1 ZINC000160050960 508930647 /nfs/dbraw/zinc/93/06/47/508930647.db2.gz AKGUCUKYCMPEAO-FQEVSTJZSA-N 2 0 373.541 2.854 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159948983 508916073 /nfs/dbraw/zinc/91/60/73/508916073.db2.gz BGRCTQNTJLOXIQ-AZUAARDMSA-N 2 0 358.530 2.634 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159955358 508916895 /nfs/dbraw/zinc/91/68/95/508916895.db2.gz YVKOMWBZPHMTOB-UYAOXDASSA-N 2 0 358.530 2.777 20 70 FFIDRP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000160008819 508924903 /nfs/dbraw/zinc/92/49/03/508924903.db2.gz NPTHFBYXKRKKKH-QUCCMNQESA-N 2 0 358.530 2.633 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160339143 508972581 /nfs/dbraw/zinc/97/25/81/508972581.db2.gz JKBWJKPIIOLXPW-YLJYHZDGSA-N 2 0 358.530 2.633 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(N2CCCC2=O)c1 ZINC000160714612 509024137 /nfs/dbraw/zinc/02/41/37/509024137.db2.gz NSDFPJMZKIDFQI-FXAWDEMLSA-N 2 0 359.514 2.701 20 70 FFIDRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)o1 ZINC000160779171 509031991 /nfs/dbraw/zinc/03/19/91/509031991.db2.gz DYWLAQGQVUQBCH-KRWDZBQOSA-N 2 0 362.518 2.678 20 70 FFIDRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160882001 509043439 /nfs/dbraw/zinc/04/34/39/509043439.db2.gz NHKWMDYGODJNRW-ZWKOTPCHSA-N 2 0 352.567 2.870 20 70 FFIDRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000161286624 509097230 /nfs/dbraw/zinc/09/72/30/509097230.db2.gz WSVGOWGYYIFJAW-ZWOKBUDYSA-N 2 0 373.545 2.731 20 70 FFIDRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000217037616 509266759 /nfs/dbraw/zinc/26/67/59/509266759.db2.gz ZZRAZKNPPYTZOQ-RBUKOAKNSA-N 2 0 350.551 2.911 20 70 FFIDRP CC[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCc2ccccc2C1 ZINC000159623138 508867381 /nfs/dbraw/zinc/86/73/81/508867381.db2.gz ADSMBOPHJJIJCV-HXUWFJFHSA-N 2 0 358.530 2.561 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1 ZINC000159783566 508890511 /nfs/dbraw/zinc/89/05/11/508890511.db2.gz NTCDOBUWWAGHFK-KRWDZBQOSA-N 2 0 364.559 2.697 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159994922 508922706 /nfs/dbraw/zinc/92/27/06/508922706.db2.gz APCOFVWAUNEFKS-OALUTQOASA-N 2 0 372.557 2.880 20 70 FFIDRP CCn1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cn1 ZINC000160306201 508968288 /nfs/dbraw/zinc/96/82/88/508968288.db2.gz GSXCHRKVZLESHL-SFHVURJKSA-N 2 0 355.530 2.891 20 70 FFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000160316579 508969449 /nfs/dbraw/zinc/96/94/49/508969449.db2.gz OFVOONMPFUHXBX-CNNODRBYSA-N 3 0 358.574 2.642 20 70 FFIDRP Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(C)n1 ZINC000161175678 509081581 /nfs/dbraw/zinc/08/15/81/509081581.db2.gz GMYUISXDFXFPIX-OAHLLOKOSA-N 2 0 354.498 2.901 20 70 FFIDRP CC[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCc2ccccc2C1 ZINC000159623007 508866844 /nfs/dbraw/zinc/86/68/44/508866844.db2.gz ADSMBOPHJJIJCV-FQEVSTJZSA-N 2 0 358.530 2.561 20 70 FFIDRP C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159946927 508916144 /nfs/dbraw/zinc/91/61/44/508916144.db2.gz LDSFFKBCMFMULP-ICSRJNTNSA-N 2 0 370.541 2.919 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160154657 508946912 /nfs/dbraw/zinc/94/69/12/508946912.db2.gz PDZJEYQBVSDZRL-NRSPTQNISA-N 2 0 370.541 2.919 20 70 FFIDRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1cnn(C)c1 ZINC000160338199 508972659 /nfs/dbraw/zinc/97/26/59/508972659.db2.gz SNKZUSFRZUAQDR-NRFANRHFSA-N 2 0 355.530 2.799 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N2CCCC2=O)cc1 ZINC000160744183 509027439 /nfs/dbraw/zinc/02/74/39/509027439.db2.gz UMSIDJMQDBVQQY-FXAWDEMLSA-N 2 0 359.514 2.701 20 70 FFIDRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160805428 509034747 /nfs/dbraw/zinc/03/47/47/509034747.db2.gz GFEWRCHVWOXRHB-LJQANCHMSA-N 2 0 358.530 2.777 20 70 FFIDRP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161188856 509082733 /nfs/dbraw/zinc/08/27/33/509082733.db2.gz OIGWHBFUWCBZGS-QFIPXVFZSA-N 2 0 368.521 2.991 20 70 FFIDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161301580 509098759 /nfs/dbraw/zinc/09/87/59/509098759.db2.gz KAKIMNWIDOBJOP-UHFFFAOYSA-N 2 0 361.530 2.944 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000160407930 508982610 /nfs/dbraw/zinc/98/26/10/508982610.db2.gz DOHKKAHERQSWDN-XEYPJELSSA-N 2 0 358.530 2.774 20 70 FFIDRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000161263287 509094095 /nfs/dbraw/zinc/09/40/95/509094095.db2.gz RPSVTFSLEODSQJ-KRWDZBQOSA-N 2 0 372.538 2.910 20 70 FFIDRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161267905 509094212 /nfs/dbraw/zinc/09/42/12/509094212.db2.gz BCPIWHWFUHLRRN-INIZCTEOSA-N 2 0 355.482 2.837 20 70 FFIDRP CCC[NH+]1CCC(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000161413761 509113359 /nfs/dbraw/zinc/11/33/59/509113359.db2.gz BBKROTWHMIRZKQ-UHFFFAOYSA-N 2 0 352.567 2.872 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159884966 508905690 /nfs/dbraw/zinc/90/56/90/508905690.db2.gz SRYOLRFVOHHQDG-DFQSSKMNSA-N 2 0 358.530 2.633 20 70 FFIDRP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000160873213 509042035 /nfs/dbraw/zinc/04/20/35/509042035.db2.gz YYGHTXVXQRHEER-CYBMUJFWSA-N 2 0 351.292 2.886 20 70 FFIDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000160011783 508924983 /nfs/dbraw/zinc/92/49/83/508924983.db2.gz WLEVYAOKLILYMW-YSIASYRMSA-N 2 0 358.530 2.633 20 70 FFIDRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cn1 ZINC000160306073 508968039 /nfs/dbraw/zinc/96/80/39/508968039.db2.gz GSXCHRKVZLESHL-GOSISDBHSA-N 2 0 355.530 2.891 20 70 FFIDRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000160690261 509021182 /nfs/dbraw/zinc/02/11/82/509021182.db2.gz MPGCBWBNMYFNNX-UXHICEINSA-N 2 0 362.562 2.768 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC000159533626 508854839 /nfs/dbraw/zinc/85/48/39/508854839.db2.gz UPKNVJUHCBLHMJ-LJQANCHMSA-N 2 0 374.529 2.569 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000159884840 508905569 /nfs/dbraw/zinc/90/55/69/508905569.db2.gz SRYOLRFVOHHQDG-MISYRCLQSA-N 2 0 358.530 2.633 20 70 FFIDRP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000161273064 509095103 /nfs/dbraw/zinc/09/51/03/509095103.db2.gz IURQCHXDZMUCOV-MRXNPFEDSA-N 2 0 357.502 2.606 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000159562656 508859080 /nfs/dbraw/zinc/85/90/80/508859080.db2.gz CESMVYSLHGEMMC-UHFFFAOYSA-N 2 0 358.530 2.910 20 70 FFIDRP CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160683272 509019378 /nfs/dbraw/zinc/01/93/78/509019378.db2.gz QJOQREOPBHEQIG-FQEVSTJZSA-N 2 0 370.541 2.777 20 70 FFIDRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001277 509058749 /nfs/dbraw/zinc/05/87/49/509058749.db2.gz YAFIOQDMPQLDPS-PMPSAXMXSA-N 2 0 363.502 2.883 20 70 FFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000161302006 509099105 /nfs/dbraw/zinc/09/91/05/509099105.db2.gz AXQIVKFDNWMBDJ-UHFFFAOYSA-N 2 0 373.541 2.599 20 70 FFIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cn2)CC1 ZINC000159468433 508845934 /nfs/dbraw/zinc/84/59/34/508845934.db2.gz OVIUVEHTWGXXNM-MRXNPFEDSA-N 2 0 368.481 2.803 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000159857177 508901890 /nfs/dbraw/zinc/90/18/90/508901890.db2.gz MACKYSGHMLHTPB-NRFANRHFSA-N 2 0 374.573 2.923 20 70 FFIDRP C[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000159947104 508915856 /nfs/dbraw/zinc/91/58/56/508915856.db2.gz LDSFFKBCMFMULP-AZUAARDMSA-N 2 0 370.541 2.919 20 70 FFIDRP C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C[N@@H+]1C1CC1 ZINC000160002380 508923590 /nfs/dbraw/zinc/92/35/90/508923590.db2.gz FTDSPKQTNHVQLD-MJGOQNOKSA-N 2 0 362.562 2.909 20 70 FFIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160986584 509057338 /nfs/dbraw/zinc/05/73/38/509057338.db2.gz WQSDNGBNXVTTCW-IBGZPJMESA-N 2 0 352.567 2.870 20 70 FFIDRP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161188732 509082447 /nfs/dbraw/zinc/08/24/47/509082447.db2.gz OIGWHBFUWCBZGS-JOCHJYFZSA-N 2 0 368.521 2.991 20 70 FFIDRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000161280917 509096494 /nfs/dbraw/zinc/09/64/94/509096494.db2.gz LVKKJGPQTOYCIM-HNNXBMFYSA-N 2 0 369.465 2.558 20 70 FFIDRP CC(=O)NC1CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000161315507 509101373 /nfs/dbraw/zinc/10/13/73/509101373.db2.gz YNIWSSDFVSHVFF-UHFFFAOYSA-N 2 0 372.557 2.626 20 70 FFIDRP NC(=O)[C@H]1CCCN1C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000159427454 508840876 /nfs/dbraw/zinc/84/08/76/508840876.db2.gz CGUXDCHQGSIKNC-GOSISDBHSA-N 2 0 365.905 2.523 20 70 FFIDRP CC[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000159587702 508862025 /nfs/dbraw/zinc/86/20/25/508862025.db2.gz SWGOREUQJSOGDW-GOSISDBHSA-N 2 0 360.502 2.780 20 70 FFIDRP Cc1nn(C)cc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000159834213 508898468 /nfs/dbraw/zinc/89/84/68/508898468.db2.gz KPBXWLZQTSUSMY-UHFFFAOYSA-N 2 0 355.530 2.729 20 70 FFIDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000159945650 508915953 /nfs/dbraw/zinc/91/59/53/508915953.db2.gz DHCHUBAOPWSWAU-HZEGPAAWSA-N 2 0 370.541 2.633 20 70 FFIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161160634 509078905 /nfs/dbraw/zinc/07/89/05/509078905.db2.gz UPBICPFBFDAVQQ-KRWDZBQOSA-N 2 0 361.534 2.589 20 70 FFIDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000159961948 508918182 /nfs/dbraw/zinc/91/81/82/508918182.db2.gz PFUVIBBFPJTURR-KVPLUYHFSA-N 2 0 358.530 2.631 20 70 FFIDRP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160220807 508955795 /nfs/dbraw/zinc/95/57/95/508955795.db2.gz GTLHENTXMAMNLQ-KRWDZBQOSA-N 2 0 355.530 2.857 20 70 FFIDRP CC[N@H+](Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1)C(C)C ZINC000160294590 508966296 /nfs/dbraw/zinc/96/62/96/508966296.db2.gz KFLFAVRLLKZANP-UHFFFAOYSA-N 2 0 361.530 2.759 20 70 FFIDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000160430682 508985921 /nfs/dbraw/zinc/98/59/21/508985921.db2.gz SSKDNPHYYDVSQY-IRXDYDNUSA-N 2 0 358.530 2.797 20 70 FFIDRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160437159 508986507 /nfs/dbraw/zinc/98/65/07/508986507.db2.gz HQWDDOHCICDQAX-MOPGFXCFSA-N 2 0 350.551 2.911 20 70 FFIDRP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)C[NH+]1CCCCC1 ZINC000160706338 509022659 /nfs/dbraw/zinc/02/26/59/509022659.db2.gz NAAYHBXZIGPVEC-GOSISDBHSA-N 2 0 352.567 2.872 20 70 FFIDRP C[NH+](C)CCCC1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000160731353 509026016 /nfs/dbraw/zinc/02/60/16/509026016.db2.gz LUEIHWVXHJYNMQ-NRFANRHFSA-N 2 0 374.573 2.923 20 70 FFIDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)Cc3ccccc3)cn2)CC1 ZINC000159506180 508851368 /nfs/dbraw/zinc/85/13/68/508851368.db2.gz QJTZBTITFCPRFU-OAQYLSRUSA-N 2 0 368.525 2.571 20 70 FFIDRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159631240 508868797 /nfs/dbraw/zinc/86/87/97/508868797.db2.gz IQGZTEBPIBYMKY-LJQANCHMSA-N 2 0 362.562 2.768 20 70 FFIDRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160684384 509020093 /nfs/dbraw/zinc/02/00/93/509020093.db2.gz DFIUUWIKWREPNM-FQEVSTJZSA-N 2 0 358.530 2.553 20 70 FFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnn(Cc2ccccc2)c1 ZINC000160738673 509026521 /nfs/dbraw/zinc/02/65/21/509026521.db2.gz WANWWVYPXZLOTD-GHTZIAJQSA-N 2 0 356.514 2.819 20 70 FFIDRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160881867 509043558 /nfs/dbraw/zinc/04/35/58/509043558.db2.gz NHKWMDYGODJNRW-QZTJIDSGSA-N 2 0 352.567 2.870 20 70 FFIDRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161085518 509069920 /nfs/dbraw/zinc/06/99/20/509069920.db2.gz PROPMTDSEMZXEI-JLSDUUJJSA-N 2 0 353.532 2.972 20 70 FFIDRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1F ZINC000161228529 509089062 /nfs/dbraw/zinc/08/90/62/509089062.db2.gz SMSKCLNIFFKXEA-HNNXBMFYSA-N 2 0 373.472 2.977 20 70 FFIDRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161246678 509091327 /nfs/dbraw/zinc/09/13/27/509091327.db2.gz OYOJROFTZZJGCM-FXAWDEMLSA-N 2 0 373.545 2.589 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000159537843 508854813 /nfs/dbraw/zinc/85/48/13/508854813.db2.gz FGAZFYAAOYLBHG-MRXNPFEDSA-N 2 0 350.532 2.622 20 70 FFIDRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000160093255 508937262 /nfs/dbraw/zinc/93/72/62/508937262.db2.gz YXIIESKPGYYECW-YLJYHZDGSA-N 2 0 358.530 2.821 20 70 FFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160171945 508949016 /nfs/dbraw/zinc/94/90/16/508949016.db2.gz QSZDYOOVZMIYMM-MRXNPFEDSA-N 2 0 373.545 2.647 20 70 FFIDRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160437298 508986651 /nfs/dbraw/zinc/98/66/51/508986651.db2.gz HQWDDOHCICDQAX-OALUTQOASA-N 2 0 350.551 2.911 20 70 FFIDRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161085437 509069564 /nfs/dbraw/zinc/06/95/64/509069564.db2.gz PROPMTDSEMZXEI-QGTPRVQTSA-N 2 0 353.532 2.972 20 70 FFIDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000217037576 509265645 /nfs/dbraw/zinc/26/56/45/509265645.db2.gz ZZRAZKNPPYTZOQ-RTBURBONSA-N 2 0 350.551 2.911 20 70 FFIDRP CCn1nccc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000159936941 508914040 /nfs/dbraw/zinc/91/40/40/508914040.db2.gz SZWUSIYIXJEHRJ-UHFFFAOYSA-N 2 0 355.530 2.903 20 70 FFIDRP CC[NH2+]CC1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000161142265 509076659 /nfs/dbraw/zinc/07/66/59/509076659.db2.gz CZMQAYZDWLLBCJ-UHFFFAOYSA-N 2 0 372.557 2.679 20 70 FFIDRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)c1ccsc1 ZINC000159619992 508867211 /nfs/dbraw/zinc/86/72/11/508867211.db2.gz PFKOMXVYIJDOED-KRWDZBQOSA-N 2 0 352.548 2.868 20 70 FFIDRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159625176 508868073 /nfs/dbraw/zinc/86/80/73/508868073.db2.gz DMNAWRURUOVPBL-QGZVFWFLSA-N 2 0 369.962 2.668 20 70 FFIDRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159631131 508868731 /nfs/dbraw/zinc/86/87/31/508868731.db2.gz IQGZTEBPIBYMKY-IBGZPJMESA-N 2 0 362.562 2.768 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)CC1 ZINC000159670768 508873859 /nfs/dbraw/zinc/87/38/59/508873859.db2.gz MVJBYSRRVZXBJR-UHFFFAOYSA-N 2 0 358.530 2.561 20 70 FFIDRP CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C(C)C)nc(N(C)C)n2)[C@H](C)C1 ZINC000159802553 508892535 /nfs/dbraw/zinc/89/25/35/508892535.db2.gz ICTWKINFZICFKJ-HZPDHXFCSA-N 2 0 364.538 2.610 20 70 FFIDRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160333297 508971649 /nfs/dbraw/zinc/97/16/49/508971649.db2.gz JYDYHJJTHYIEGF-HMXCVIKNSA-N 2 0 370.541 2.777 20 70 FFIDRP C[C@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160338995 508972642 /nfs/dbraw/zinc/97/26/42/508972642.db2.gz JKBWJKPIIOLXPW-PXNSSMCTSA-N 2 0 358.530 2.633 20 70 FFIDRP CCN(C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160642558 509013291 /nfs/dbraw/zinc/01/32/91/509013291.db2.gz UCEFKVADVDJSGF-FBBABVLZSA-N 2 0 370.541 2.918 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC1 ZINC000159533494 508854735 /nfs/dbraw/zinc/85/47/35/508854735.db2.gz UPKNVJUHCBLHMJ-IBGZPJMESA-N 2 0 374.529 2.569 20 70 FFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000159537718 508854533 /nfs/dbraw/zinc/85/45/33/508854533.db2.gz FGAZFYAAOYLBHG-INIZCTEOSA-N 2 0 350.532 2.622 20 70 FFIDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000160689305 509019916 /nfs/dbraw/zinc/01/99/16/509019916.db2.gz HOTLVUGSNLIETQ-QFIPXVFZSA-N 2 0 359.558 2.520 20 70 FFIDRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160805548 509034679 /nfs/dbraw/zinc/03/46/79/509034679.db2.gz GFEWRCHVWOXRHB-IBGZPJMESA-N 2 0 358.530 2.777 20 70 FFIDRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017834 509059836 /nfs/dbraw/zinc/05/98/36/509059836.db2.gz LDGAAFVNMUNHDV-JYJNAYRXSA-N 2 0 363.502 2.883 20 70 FFIDRP