smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000159621192 508867125 /nfs/dbraw/zinc/86/71/25/508867125.db2.gz YPVIEYIBAZQUMU-FQEVSTJZSA-N 1 3 360.546 2.677 20 70 FFIDHO CCN(CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)c1ccsc1 ZINC000159620123 508867243 /nfs/dbraw/zinc/86/72/43/508867243.db2.gz PFKOMXVYIJDOED-QGZVFWFLSA-N 1 3 352.548 2.868 20 70 FFIDHO CCN(CC)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)c1ccsc1 ZINC000159620123 508867246 /nfs/dbraw/zinc/86/72/46/508867246.db2.gz PFKOMXVYIJDOED-QGZVFWFLSA-N 1 3 352.548 2.868 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000160002767 508923377 /nfs/dbraw/zinc/92/33/77/508923377.db2.gz FTDSPKQTNHVQLD-PKOBYXMFSA-N 1 3 362.562 2.909 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000160407701 508982548 /nfs/dbraw/zinc/98/25/48/508982548.db2.gz DOHKKAHERQSWDN-RAUXBKROSA-N 1 3 358.530 2.774 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000160407701 508982550 /nfs/dbraw/zinc/98/25/50/508982550.db2.gz DOHKKAHERQSWDN-RAUXBKROSA-N 1 3 358.530 2.774 20 70 FFIDHO CCN(C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000160069712 508934316 /nfs/dbraw/zinc/93/43/16/508934316.db2.gz TWEWYMWCLWEATI-XLIONFOSSA-N 1 3 358.530 2.775 20 70 FFIDHO CCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000160069712 508934322 /nfs/dbraw/zinc/93/43/22/508934322.db2.gz TWEWYMWCLWEATI-XLIONFOSSA-N 1 3 358.530 2.775 20 70 FFIDHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000161269971 509094652 /nfs/dbraw/zinc/09/46/52/509094652.db2.gz VDVJAQHMBXUXRS-AWEZNQCLSA-N 1 3 370.335 2.504 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000161286231 509096391 /nfs/dbraw/zinc/09/63/91/509096391.db2.gz WSVGOWGYYIFJAW-FUHIMQAGSA-N 1 3 373.545 2.731 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000159783704 508890620 /nfs/dbraw/zinc/89/06/20/508890620.db2.gz NTCDOBUWWAGHFK-QGZVFWFLSA-N 1 3 364.559 2.697 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000159783704 508890623 /nfs/dbraw/zinc/89/06/23/508890623.db2.gz NTCDOBUWWAGHFK-QGZVFWFLSA-N 1 3 364.559 2.697 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000160002490 508923844 /nfs/dbraw/zinc/92/38/44/508923844.db2.gz FTDSPKQTNHVQLD-HKUYNNGSSA-N 1 3 362.562 2.909 20 70 FFIDHO CC(C)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1-c1ccccc1 ZINC000159723993 508880927 /nfs/dbraw/zinc/88/09/27/508880927.db2.gz BTECNJQFGBUVJM-UHFFFAOYSA-N 1 3 371.529 2.561 20 70 FFIDHO CSc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC000161144585 509077583 /nfs/dbraw/zinc/07/75/83/509077583.db2.gz PJJVNMFWHLFXNW-UHFFFAOYSA-N 1 3 365.518 2.836 20 70 FFIDHO C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000159864613 508902470 /nfs/dbraw/zinc/90/24/70/508902470.db2.gz GBIIEJWRRVNKIN-KRWDZBQOSA-N 1 3 350.551 2.767 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000159999930 508923208 /nfs/dbraw/zinc/92/32/08/508923208.db2.gz ZSJDDKIBUORRSO-NQIIRXRSSA-N 1 3 372.557 2.880 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000160339270 508972562 /nfs/dbraw/zinc/97/25/62/508972562.db2.gz JKBWJKPIIOLXPW-FXAWDEMLSA-N 1 3 358.530 2.633 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000161001125 509058731 /nfs/dbraw/zinc/05/87/31/509058731.db2.gz YAFIOQDMPQLDPS-OAGGEKHMSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001125 509058733 /nfs/dbraw/zinc/05/87/33/509058733.db2.gz YAFIOQDMPQLDPS-OAGGEKHMSA-N 1 3 363.502 2.883 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000161286497 509097190 /nfs/dbraw/zinc/09/71/90/509097190.db2.gz WSVGOWGYYIFJAW-UWVAXJGDSA-N 1 3 373.545 2.731 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000161286497 509097193 /nfs/dbraw/zinc/09/71/93/509097193.db2.gz WSVGOWGYYIFJAW-UWVAXJGDSA-N 1 3 373.545 2.731 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000160000068 508923515 /nfs/dbraw/zinc/92/35/15/508923515.db2.gz ZSJDDKIBUORRSO-RXVVDRJESA-N 1 3 372.557 2.880 20 70 FFIDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000160715294 509024167 /nfs/dbraw/zinc/02/41/67/509024167.db2.gz HHDIDEGYLFTAEJ-KRWDZBQOSA-N 1 3 350.551 2.767 20 70 FFIDHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000160715294 509024170 /nfs/dbraw/zinc/02/41/70/509024170.db2.gz HHDIDEGYLFTAEJ-KRWDZBQOSA-N 1 3 350.551 2.767 20 70 FFIDHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160714730 509024358 /nfs/dbraw/zinc/02/43/58/509024358.db2.gz BKRJNGSKCRDEQD-IBGZPJMESA-N 1 3 350.551 2.624 20 70 FFIDHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160714730 509024359 /nfs/dbraw/zinc/02/43/59/509024359.db2.gz BKRJNGSKCRDEQD-IBGZPJMESA-N 1 3 350.551 2.624 20 70 FFIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000160996443 509057894 /nfs/dbraw/zinc/05/78/94/509057894.db2.gz NPLVOJBZISLURP-GOSISDBHSA-N 1 3 364.534 2.863 20 70 FFIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000160996443 509057896 /nfs/dbraw/zinc/05/78/96/509057896.db2.gz NPLVOJBZISLURP-GOSISDBHSA-N 1 3 364.534 2.863 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000159962071 508918551 /nfs/dbraw/zinc/91/85/51/508918551.db2.gz PFUVIBBFPJTURR-QGZVKYPTSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000159962071 508918557 /nfs/dbraw/zinc/91/85/57/508918557.db2.gz PFUVIBBFPJTURR-QGZVKYPTSA-N 1 3 358.530 2.631 20 70 FFIDHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000160630122 509012368 /nfs/dbraw/zinc/01/23/68/509012368.db2.gz SARLNBIBYZDHKL-WOJBJXKFSA-N 1 3 362.562 2.624 20 70 FFIDHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160663705 509016956 /nfs/dbraw/zinc/01/69/56/509016956.db2.gz GXADHSPWIDWVRH-LJQANCHMSA-N 1 3 350.551 2.624 20 70 FFIDHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160663705 509016959 /nfs/dbraw/zinc/01/69/59/509016959.db2.gz GXADHSPWIDWVRH-LJQANCHMSA-N 1 3 350.551 2.624 20 70 FFIDHO CCN1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000159561727 508858847 /nfs/dbraw/zinc/85/88/47/508858847.db2.gz XSJJUAUYJNMHAX-UHFFFAOYSA-N 1 3 358.530 2.910 20 70 FFIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159955499 508916682 /nfs/dbraw/zinc/91/66/82/508916682.db2.gz YVKOMWBZPHMTOB-QUCCMNQESA-N 1 3 358.530 2.777 20 70 FFIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159955499 508916684 /nfs/dbraw/zinc/91/66/84/508916684.db2.gz YVKOMWBZPHMTOB-QUCCMNQESA-N 1 3 358.530 2.777 20 70 FFIDHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000160630039 509012137 /nfs/dbraw/zinc/01/21/37/509012137.db2.gz SARLNBIBYZDHKL-VQTJNVASSA-N 1 3 362.562 2.624 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000159903723 508909445 /nfs/dbraw/zinc/90/94/45/508909445.db2.gz JSIGTDJJLQUMFU-AEFFLSMTSA-N 1 3 364.559 2.868 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000159903723 508909449 /nfs/dbraw/zinc/90/94/49/508909449.db2.gz JSIGTDJJLQUMFU-AEFFLSMTSA-N 1 3 364.559 2.868 20 70 FFIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000160689999 509021354 /nfs/dbraw/zinc/02/13/54/509021354.db2.gz MPGCBWBNMYFNNX-WOJBJXKFSA-N 1 3 362.562 2.768 20 70 FFIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)o1 ZINC000160779054 509031871 /nfs/dbraw/zinc/03/18/71/509031871.db2.gz DYWLAQGQVUQBCH-QGZVFWFLSA-N 1 3 362.518 2.678 20 70 FFIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)o1 ZINC000160779054 509031875 /nfs/dbraw/zinc/03/18/75/509031875.db2.gz DYWLAQGQVUQBCH-QGZVFWFLSA-N 1 3 362.518 2.678 20 70 FFIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160804525 509034731 /nfs/dbraw/zinc/03/47/31/509034731.db2.gz TZULAQHZJJLMAE-QGZVFWFLSA-N 1 3 374.529 2.902 20 70 FFIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160804525 509034733 /nfs/dbraw/zinc/03/47/33/509034733.db2.gz TZULAQHZJJLMAE-QGZVFWFLSA-N 1 3 374.529 2.902 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CC1 ZINC000159621063 508866803 /nfs/dbraw/zinc/86/68/03/508866803.db2.gz YPVIEYIBAZQUMU-HXUWFJFHSA-N 1 3 360.546 2.677 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920299 508911968 /nfs/dbraw/zinc/91/19/68/508911968.db2.gz ODANHKNDQCAKCD-KVPLUYHFSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920299 508911972 /nfs/dbraw/zinc/91/19/72/508911972.db2.gz ODANHKNDQCAKCD-KVPLUYHFSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000159975112 508920048 /nfs/dbraw/zinc/92/00/48/508920048.db2.gz JSAZSHCQHMXASM-NQIIRXRSSA-N 1 3 370.541 2.777 20 70 FFIDHO COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000161229124 509088849 /nfs/dbraw/zinc/08/88/49/509088849.db2.gz XHWJLCMCFMONDP-NRFANRHFSA-N 1 3 367.493 2.764 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920692 508911638 /nfs/dbraw/zinc/91/16/38/508911638.db2.gz ODANHKNDQCAKCD-RAUXBKROSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920692 508911641 /nfs/dbraw/zinc/91/16/41/508911641.db2.gz ODANHKNDQCAKCD-RAUXBKROSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CN1Cc1ccccc1 ZINC000159947034 508915644 /nfs/dbraw/zinc/91/56/44/508915644.db2.gz LDSFFKBCMFMULP-UYAOXDASSA-N 1 3 370.541 2.919 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000159961807 508918298 /nfs/dbraw/zinc/91/82/98/508918298.db2.gz PFUVIBBFPJTURR-RAUXBKROSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000159961807 508918301 /nfs/dbraw/zinc/91/83/01/508918301.db2.gz PFUVIBBFPJTURR-RAUXBKROSA-N 1 3 358.530 2.631 20 70 FFIDHO CCN1CCCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000159870620 508903507 /nfs/dbraw/zinc/90/35/07/508903507.db2.gz SFOKSPSILDFXDL-GOSISDBHSA-N 1 3 358.530 2.949 20 70 FFIDHO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000160683138 509019317 /nfs/dbraw/zinc/01/93/17/509019317.db2.gz QJOQREOPBHEQIG-HXUWFJFHSA-N 1 3 370.541 2.777 20 70 FFIDHO CN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000160683138 509019320 /nfs/dbraw/zinc/01/93/20/509019320.db2.gz QJOQREOPBHEQIG-HXUWFJFHSA-N 1 3 370.541 2.777 20 70 FFIDHO CN(CCN1CCN(CCC[NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000161031021 509062284 /nfs/dbraw/zinc/06/22/84/509062284.db2.gz AUXANCZAKJIZJA-UHFFFAOYSA-N 1 3 358.574 2.612 20 70 FFIDHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCC(C)CC1 ZINC000161211611 509086526 /nfs/dbraw/zinc/08/65/26/509086526.db2.gz CVAYPNXVSKNTDK-GOSISDBHSA-N 1 3 352.567 2.870 20 70 FFIDHO CC(C)CN1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000161306495 509100017 /nfs/dbraw/zinc/10/00/17/509100017.db2.gz GECMADZBSAUSJJ-GOSISDBHSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920572 508912006 /nfs/dbraw/zinc/91/20/06/508912006.db2.gz ODANHKNDQCAKCD-ONCXSQPRSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920572 508912009 /nfs/dbraw/zinc/91/20/09/508912009.db2.gz ODANHKNDQCAKCD-ONCXSQPRSA-N 1 3 358.530 2.631 20 70 FFIDHO CC(C)OCCCNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160565973 509003727 /nfs/dbraw/zinc/00/37/27/509003727.db2.gz DWKDNZNXRTWQLP-UHFFFAOYSA-N 1 3 353.551 2.506 20 70 FFIDHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161085658 509069797 /nfs/dbraw/zinc/06/97/97/509069797.db2.gz PROPMTDSEMZXEI-WBAXXEDZSA-N 1 3 353.532 2.972 20 70 FFIDHO Cc1ccc2cc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000161137278 509076342 /nfs/dbraw/zinc/07/63/42/509076342.db2.gz UDAJNHINDZNXER-UHFFFAOYSA-N 1 3 366.509 2.832 20 70 FFIDHO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000159540115 508855642 /nfs/dbraw/zinc/85/56/42/508855642.db2.gz RLCNJQNCGKHMSY-FQEVSTJZSA-N 1 3 374.529 2.569 20 70 FFIDHO CC[N@H+]1CCCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000159540115 508855645 /nfs/dbraw/zinc/85/56/45/508855645.db2.gz RLCNJQNCGKHMSY-FQEVSTJZSA-N 1 3 374.529 2.569 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000159924518 508912488 /nfs/dbraw/zinc/91/24/88/508912488.db2.gz KGRUXTPSBMXAGR-NRSPTQNISA-N 1 3 370.541 2.634 20 70 FFIDHO CCN(C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160069595 508934112 /nfs/dbraw/zinc/93/41/12/508934112.db2.gz TWEWYMWCLWEATI-YLJYHZDGSA-N 1 3 358.530 2.775 20 70 FFIDHO CCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000160069595 508934115 /nfs/dbraw/zinc/93/41/15/508934115.db2.gz TWEWYMWCLWEATI-YLJYHZDGSA-N 1 3 358.530 2.775 20 70 FFIDHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160266602 508962678 /nfs/dbraw/zinc/96/26/78/508962678.db2.gz IBQLQVPRIVBHFM-CVEARBPZSA-N 1 3 353.532 2.973 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000161001226 509058447 /nfs/dbraw/zinc/05/84/47/509058447.db2.gz YAFIOQDMPQLDPS-JYJNAYRXSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001226 509058451 /nfs/dbraw/zinc/05/84/51/509058451.db2.gz YAFIOQDMPQLDPS-JYJNAYRXSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000161017578 509060318 /nfs/dbraw/zinc/06/03/18/509060318.db2.gz LDGAAFVNMUNHDV-XHSDSOJGSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017578 509060319 /nfs/dbraw/zinc/06/03/19/509060319.db2.gz LDGAAFVNMUNHDV-XHSDSOJGSA-N 1 3 363.502 2.883 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000160002617 508923483 /nfs/dbraw/zinc/92/34/83/508923483.db2.gz FTDSPKQTNHVQLD-IEBWSBKVSA-N 1 3 362.562 2.909 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000160338886 508972507 /nfs/dbraw/zinc/97/25/07/508972507.db2.gz JKBWJKPIIOLXPW-XLIONFOSSA-N 1 3 358.530 2.633 20 70 FFIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000160996569 509057866 /nfs/dbraw/zinc/05/78/66/509057866.db2.gz NPLVOJBZISLURP-SFHVURJKSA-N 1 3 364.534 2.863 20 70 FFIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000160996569 509057868 /nfs/dbraw/zinc/05/78/68/509057868.db2.gz NPLVOJBZISLURP-SFHVURJKSA-N 1 3 364.534 2.863 20 70 FFIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000160254390 508961041 /nfs/dbraw/zinc/96/10/41/508961041.db2.gz YVTJJKHVEWGQPM-SFHVURJKSA-N 1 3 355.530 2.608 20 70 FFIDHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160663824 509016568 /nfs/dbraw/zinc/01/65/68/509016568.db2.gz GXADHSPWIDWVRH-IBGZPJMESA-N 1 3 350.551 2.624 20 70 FFIDHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160663824 509016572 /nfs/dbraw/zinc/01/65/72/509016572.db2.gz GXADHSPWIDWVRH-IBGZPJMESA-N 1 3 350.551 2.624 20 70 FFIDHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160748697 509028227 /nfs/dbraw/zinc/02/82/27/509028227.db2.gz ZUHGAROPNJPNJK-YZGWKJHDSA-N 1 3 362.562 2.767 20 70 FFIDHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000160748697 509028230 /nfs/dbraw/zinc/02/82/30/509028230.db2.gz ZUHGAROPNJPNJK-YZGWKJHDSA-N 1 3 362.562 2.767 20 70 FFIDHO CN(CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)Cc1ccccc1 ZINC000160860628 509040789 /nfs/dbraw/zinc/04/07/89/509040789.db2.gz JZGLIFRTTXFMJB-UHFFFAOYSA-N 1 3 360.546 2.882 20 70 FFIDHO CC(C)N(CC[NH+](C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000161160722 509078753 /nfs/dbraw/zinc/07/87/53/509078753.db2.gz UPBICPFBFDAVQQ-QGZVFWFLSA-N 1 3 361.534 2.589 20 70 FFIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159949124 508915768 /nfs/dbraw/zinc/91/57/68/508915768.db2.gz BGRCTQNTJLOXIQ-ICSRJNTNSA-N 1 3 358.530 2.634 20 70 FFIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159949124 508915769 /nfs/dbraw/zinc/91/57/69/508915769.db2.gz BGRCTQNTJLOXIQ-ICSRJNTNSA-N 1 3 358.530 2.634 20 70 FFIDHO Cc1c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000160196285 508952970 /nfs/dbraw/zinc/95/29/70/508952970.db2.gz CFIMSUVCXOQXKY-MRXNPFEDSA-N 1 3 373.520 2.996 20 70 FFIDHO COc1ccc(CNC(=O)C2CC[NH+](CCCN3CCCCC3)CC2)cc1 ZINC000161362478 509106696 /nfs/dbraw/zinc/10/66/96/509106696.db2.gz RHSHWUNAIBHIHX-UHFFFAOYSA-N 1 3 373.541 2.899 20 70 FFIDHO CN(C)Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1 ZINC000161463494 509118958 /nfs/dbraw/zinc/11/89/58/509118958.db2.gz UOMBCLFIUSGTNG-UHFFFAOYSA-N 1 3 368.481 2.891 20 70 FFIDHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159446483 508843252 /nfs/dbraw/zinc/84/32/52/508843252.db2.gz AMBLULKLODAZSO-QUCCMNQESA-N 1 3 360.546 2.879 20 70 FFIDHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159446483 508843253 /nfs/dbraw/zinc/84/32/53/508843253.db2.gz AMBLULKLODAZSO-QUCCMNQESA-N 1 3 360.546 2.879 20 70 FFIDHO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000161298443 509099021 /nfs/dbraw/zinc/09/90/21/509099021.db2.gz IYRPTVQNDLACHW-SFHVURJKSA-N 1 3 374.529 2.556 20 70 FFIDHO CN(C)[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)Cc1ccccc1 ZINC000159857050 508901883 /nfs/dbraw/zinc/90/18/83/508901883.db2.gz MACKYSGHMLHTPB-OAQYLSRUSA-N 1 3 374.573 2.923 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159993826 508921442 /nfs/dbraw/zinc/92/14/42/508921442.db2.gz MSBMVSORQVDZRH-GIVPXCGWSA-N 1 3 370.541 2.777 20 70 FFIDHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000160266695 508962459 /nfs/dbraw/zinc/96/24/59/508962459.db2.gz IBQLQVPRIVBHFM-HOTGVXAUSA-N 1 3 353.532 2.973 20 70 FFIDHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCC[C@H](C)C1 ZINC000160304392 508967621 /nfs/dbraw/zinc/96/76/21/508967621.db2.gz BGCUPNWEKWPTIK-ROUUACIJSA-N 1 3 352.567 2.870 20 70 FFIDHO C[C@@H](Cn1cc(Br)cn1)NCc1ccc(C[NH+](C)C)cc1 ZINC000160873083 509042433 /nfs/dbraw/zinc/04/24/33/509042433.db2.gz YYGHTXVXQRHEER-ZDUSSCGKSA-N 1 3 351.292 2.886 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000159961685 508918495 /nfs/dbraw/zinc/91/84/95/508918495.db2.gz PFUVIBBFPJTURR-ONCXSQPRSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000159961685 508918497 /nfs/dbraw/zinc/91/84/97/508918497.db2.gz PFUVIBBFPJTURR-ONCXSQPRSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000160362054 508976182 /nfs/dbraw/zinc/97/61/82/508976182.db2.gz WTDPZXBVIBWTQG-HOJAQTOUSA-N 1 3 356.514 2.529 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000160154432 508946884 /nfs/dbraw/zinc/94/68/84/508946884.db2.gz PDZJEYQBVSDZRL-GIVPXCGWSA-N 1 3 370.541 2.919 20 70 FFIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000160690124 509021379 /nfs/dbraw/zinc/02/13/79/509021379.db2.gz MPGCBWBNMYFNNX-PMACEKPBSA-N 1 3 362.562 2.768 20 70 FFIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160804627 509034698 /nfs/dbraw/zinc/03/46/98/509034698.db2.gz TZULAQHZJJLMAE-KRWDZBQOSA-N 1 3 374.529 2.902 20 70 FFIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160804627 509034699 /nfs/dbraw/zinc/03/46/99/509034699.db2.gz TZULAQHZJJLMAE-KRWDZBQOSA-N 1 3 374.529 2.902 20 70 FFIDHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159446620 508843280 /nfs/dbraw/zinc/84/32/80/508843280.db2.gz AMBLULKLODAZSO-ICSRJNTNSA-N 1 3 360.546 2.879 20 70 FFIDHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159446620 508843281 /nfs/dbraw/zinc/84/32/81/508843281.db2.gz AMBLULKLODAZSO-ICSRJNTNSA-N 1 3 360.546 2.879 20 70 FFIDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159955687 508916649 /nfs/dbraw/zinc/91/66/49/508916649.db2.gz ITQVAHHREUDHLL-FYZZASKESA-N 1 3 370.541 2.775 20 70 FFIDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159955687 508916651 /nfs/dbraw/zinc/91/66/51/508916651.db2.gz ITQVAHHREUDHLL-FYZZASKESA-N 1 3 370.541 2.775 20 70 FFIDHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000160011919 508925018 /nfs/dbraw/zinc/92/50/18/508925018.db2.gz WLEVYAOKLILYMW-DFQSSKMNSA-N 1 3 358.530 2.633 20 70 FFIDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000160011919 508925022 /nfs/dbraw/zinc/92/50/22/508925022.db2.gz WLEVYAOKLILYMW-DFQSSKMNSA-N 1 3 358.530 2.633 20 70 FFIDHO C[NH+](C)Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000160150294 508945896 /nfs/dbraw/zinc/94/58/96/508945896.db2.gz QLTYSIRHCNHGFE-UHFFFAOYSA-N 1 3 361.555 2.840 20 70 FFIDHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160731489 509025912 /nfs/dbraw/zinc/02/59/12/509025912.db2.gz LUEIHWVXHJYNMQ-OAQYLSRUSA-N 1 3 374.573 2.923 20 70 FFIDHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCC(C)CC1 ZINC000161211485 509086684 /nfs/dbraw/zinc/08/66/84/509086684.db2.gz CVAYPNXVSKNTDK-SFHVURJKSA-N 1 3 352.567 2.870 20 70 FFIDHO CCN1CCCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000159870468 508903400 /nfs/dbraw/zinc/90/34/00/508903400.db2.gz SFOKSPSILDFXDL-SFHVURJKSA-N 1 3 358.530 2.949 20 70 FFIDHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000160093113 508937292 /nfs/dbraw/zinc/93/72/92/508937292.db2.gz YXIIESKPGYYECW-PXNSSMCTSA-N 1 3 358.530 2.821 20 70 FFIDHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161302290 509099537 /nfs/dbraw/zinc/09/95/37/509099537.db2.gz DMFAEYLZJIFCGV-UHFFFAOYSA-N 1 3 373.541 2.599 20 70 FFIDHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160684269 509020362 /nfs/dbraw/zinc/02/03/62/509020362.db2.gz DFIUUWIKWREPNM-HXUWFJFHSA-N 1 3 358.530 2.553 20 70 FFIDHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000160684269 509020365 /nfs/dbraw/zinc/02/03/65/509020365.db2.gz DFIUUWIKWREPNM-HXUWFJFHSA-N 1 3 358.530 2.553 20 70 FFIDHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160714587 509024328 /nfs/dbraw/zinc/02/43/28/509024328.db2.gz BKRJNGSKCRDEQD-LJQANCHMSA-N 1 3 350.551 2.624 20 70 FFIDHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160714587 509024331 /nfs/dbraw/zinc/02/43/31/509024331.db2.gz BKRJNGSKCRDEQD-LJQANCHMSA-N 1 3 350.551 2.624 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000161001017 509058506 /nfs/dbraw/zinc/05/85/06/509058506.db2.gz YAFIOQDMPQLDPS-XHSDSOJGSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001017 509058509 /nfs/dbraw/zinc/05/85/09/509058509.db2.gz YAFIOQDMPQLDPS-XHSDSOJGSA-N 1 3 363.502 2.883 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920439 508911701 /nfs/dbraw/zinc/91/17/01/508911701.db2.gz ODANHKNDQCAKCD-QGZVKYPTSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CN1Cc1ccccc1 ZINC000159920439 508911703 /nfs/dbraw/zinc/91/17/03/508911703.db2.gz ODANHKNDQCAKCD-QGZVKYPTSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160013191 508925877 /nfs/dbraw/zinc/92/58/77/508925877.db2.gz JAFWJAAZWWUEIM-AYWYSENESA-N 1 3 370.541 2.633 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000160013191 508925881 /nfs/dbraw/zinc/92/58/81/508925881.db2.gz JAFWJAAZWWUEIM-AYWYSENESA-N 1 3 370.541 2.633 20 70 FFIDHO COc1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)ccc1OC(F)F ZINC000160184795 508951277 /nfs/dbraw/zinc/95/12/77/508951277.db2.gz GISJMFGPXKUXBT-CQSZACIVSA-N 1 3 371.472 2.973 20 70 FFIDHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000160288320 508965670 /nfs/dbraw/zinc/96/56/70/508965670.db2.gz IQYAMPSBWUCHBC-QGZVFWFLSA-N 1 3 361.534 2.670 20 70 FFIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000160689854 509020988 /nfs/dbraw/zinc/02/09/88/509020988.db2.gz MPGCBWBNMYFNNX-VQTJNVASSA-N 1 3 362.562 2.768 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000161352915 509106309 /nfs/dbraw/zinc/10/63/09/509106309.db2.gz MKBDBMRDIGWHCG-UWVAXJGDSA-N 1 3 373.545 2.589 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000161352915 509106311 /nfs/dbraw/zinc/10/63/11/509106311.db2.gz MKBDBMRDIGWHCG-UWVAXJGDSA-N 1 3 373.545 2.589 20 70 FFIDHO CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159952955 508916470 /nfs/dbraw/zinc/91/64/70/508916470.db2.gz YOQQNVAQIXCSIK-FQEVSTJZSA-N 1 3 358.530 2.777 20 70 FFIDHO CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159952955 508916473 /nfs/dbraw/zinc/91/64/73/508916473.db2.gz YOQQNVAQIXCSIK-FQEVSTJZSA-N 1 3 358.530 2.777 20 70 FFIDHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000160093390 508937525 /nfs/dbraw/zinc/93/75/25/508937525.db2.gz YXIIESKPGYYECW-FXAWDEMLSA-N 1 3 358.530 2.821 20 70 FFIDHO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000159540243 508855453 /nfs/dbraw/zinc/85/54/53/508855453.db2.gz RLCNJQNCGKHMSY-HXUWFJFHSA-N 1 3 374.529 2.569 20 70 FFIDHO CC[N@H+]1CCCN(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000159540243 508855456 /nfs/dbraw/zinc/85/54/56/508855456.db2.gz RLCNJQNCGKHMSY-HXUWFJFHSA-N 1 3 374.529 2.569 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000159884568 508906115 /nfs/dbraw/zinc/90/61/15/508906115.db2.gz SRYOLRFVOHHQDG-RLLQIKCJSA-N 1 3 358.530 2.633 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000159884568 508906120 /nfs/dbraw/zinc/90/61/20/508906120.db2.gz SRYOLRFVOHHQDG-RLLQIKCJSA-N 1 3 358.530 2.633 20 70 FFIDHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000159936824 508914236 /nfs/dbraw/zinc/91/42/36/508914236.db2.gz XYSFMRUBSIRFCW-ZSXPUABSSA-N 1 3 372.557 2.879 20 70 FFIDHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000159936824 508914241 /nfs/dbraw/zinc/91/42/41/508914241.db2.gz XYSFMRUBSIRFCW-ZSXPUABSSA-N 1 3 372.557 2.879 20 70 FFIDHO CC(C)CN1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161306388 509099828 /nfs/dbraw/zinc/09/98/28/509099828.db2.gz GECMADZBSAUSJJ-SFHVURJKSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000161329712 509102581 /nfs/dbraw/zinc/10/25/81/509102581.db2.gz GGBGJIMIFVASKU-ROUUACIJSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000161329712 509102585 /nfs/dbraw/zinc/10/25/85/509102585.db2.gz GGBGJIMIFVASKU-ROUUACIJSA-N 1 3 373.545 2.590 20 70 FFIDHO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160434184 508987095 /nfs/dbraw/zinc/98/70/95/508987095.db2.gz ZKCWBGDPBMMGMA-UHFFFAOYSA-N 1 3 373.497 2.942 20 70 FFIDHO CC1CC[NH+](C[C@H]2CCCN(C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000160630363 509012429 /nfs/dbraw/zinc/01/24/29/509012429.db2.gz SARLNBIBYZDHKL-UXHICEINSA-N 1 3 362.562 2.624 20 70 FFIDHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161085326 509069488 /nfs/dbraw/zinc/06/94/88/509069488.db2.gz PROPMTDSEMZXEI-OLMNPRSZSA-N 1 3 353.532 2.972 20 70 FFIDHO COc1ccc(CN2CCC(C[NH2+]C3CCC(NC(C)=O)CC3)CC2)cc1 ZINC000161384010 509109188 /nfs/dbraw/zinc/10/91/88/509109188.db2.gz RFUIGZUURNCQDF-UHFFFAOYSA-N 1 3 373.541 2.944 20 70 FFIDHO CCN1CCCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000159782126 508890209 /nfs/dbraw/zinc/89/02/09/508890209.db2.gz UEXYUTSICAPQBZ-UHFFFAOYSA-N 1 3 364.559 2.697 20 70 FFIDHO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)c1 ZINC000160174540 508949875 /nfs/dbraw/zinc/94/98/75/508949875.db2.gz ZIBYIRKXZYQIBI-FXAWDEMLSA-N 1 3 361.530 2.663 20 70 FFIDHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Br)cc1 ZINC000161270046 509095029 /nfs/dbraw/zinc/09/50/29/509095029.db2.gz VDVJAQHMBXUXRS-CQSZACIVSA-N 1 3 370.335 2.504 20 70 FFIDHO CCN1CCC(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000159575451 508860445 /nfs/dbraw/zinc/86/04/45/508860445.db2.gz ZELQIIUOGYBSFM-UHFFFAOYSA-N 1 3 350.551 2.768 20 70 FFIDHO CCN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000159846244 508900246 /nfs/dbraw/zinc/90/02/46/508900246.db2.gz OKOSWNJECRRSSA-SEJPIABJSA-N 1 3 370.541 2.919 20 70 FFIDHO CCN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000159846244 508900249 /nfs/dbraw/zinc/90/02/49/508900249.db2.gz OKOSWNJECRRSSA-SEJPIABJSA-N 1 3 370.541 2.919 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000160407577 508983078 /nfs/dbraw/zinc/98/30/78/508983078.db2.gz DOHKKAHERQSWDN-PIKOESSRSA-N 1 3 358.530 2.774 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000160407577 508983080 /nfs/dbraw/zinc/98/30/80/508983080.db2.gz DOHKKAHERQSWDN-PIKOESSRSA-N 1 3 358.530 2.774 20 70 FFIDHO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000161017976 509061011 /nfs/dbraw/zinc/06/10/11/509061011.db2.gz LDGAAFVNMUNHDV-PMPSAXMXSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017976 509061013 /nfs/dbraw/zinc/06/10/13/509061013.db2.gz LDGAAFVNMUNHDV-PMPSAXMXSA-N 1 3 363.502 2.883 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000161286367 509096590 /nfs/dbraw/zinc/09/65/90/509096590.db2.gz WSVGOWGYYIFJAW-ABSDTBQOSA-N 1 3 373.545 2.731 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000161329473 509102598 /nfs/dbraw/zinc/10/25/98/509102598.db2.gz GGBGJIMIFVASKU-ZWKOTPCHSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000161329473 509102600 /nfs/dbraw/zinc/10/26/00/509102600.db2.gz GGBGJIMIFVASKU-ZWKOTPCHSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000159975265 508920062 /nfs/dbraw/zinc/92/00/62/508920062.db2.gz JSAZSHCQHMXASM-RXVVDRJESA-N 1 3 370.541 2.777 20 70 FFIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000161329828 509102841 /nfs/dbraw/zinc/10/28/41/509102841.db2.gz GGBGJIMIFVASKU-MSOLQXFVSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000161329828 509102845 /nfs/dbraw/zinc/10/28/45/509102845.db2.gz GGBGJIMIFVASKU-MSOLQXFVSA-N 1 3 373.545 2.590 20 70 FFIDHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000160630230 509012389 /nfs/dbraw/zinc/01/23/89/509012389.db2.gz SARLNBIBYZDHKL-PMACEKPBSA-N 1 3 362.562 2.624 20 70 FFIDHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000160092986 508937460 /nfs/dbraw/zinc/93/74/60/508937460.db2.gz YXIIESKPGYYECW-XLIONFOSSA-N 1 3 358.530 2.821 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000160407793 508983238 /nfs/dbraw/zinc/98/32/38/508983238.db2.gz DOHKKAHERQSWDN-BWPNAZKDSA-N 1 3 358.530 2.774 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CN1Cc1ccccc1 ZINC000160407793 508983240 /nfs/dbraw/zinc/98/32/40/508983240.db2.gz DOHKKAHERQSWDN-BWPNAZKDSA-N 1 3 358.530 2.774 20 70 FFIDHO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000161017713 509060225 /nfs/dbraw/zinc/06/02/25/509060225.db2.gz LDGAAFVNMUNHDV-OAGGEKHMSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017713 509060228 /nfs/dbraw/zinc/06/02/28/509060228.db2.gz LDGAAFVNMUNHDV-OAGGEKHMSA-N 1 3 363.502 2.883 20 70 FFIDHO CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000161122179 509074432 /nfs/dbraw/zinc/07/44/32/509074432.db2.gz HBFKOZIHNYGERU-LJQANCHMSA-N 1 3 361.505 2.886 20 70 FFIDHO CCN1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000159597395 508863947 /nfs/dbraw/zinc/86/39/47/508863947.db2.gz KQIRHHXCCPIMNG-UHFFFAOYSA-N 1 3 358.530 2.697 20 70 FFIDHO Cc1c([C@H](C)NCCN2CCC([NH+](C)C)CC2)cnn1-c1ccc(F)cc1 ZINC000160196420 508953020 /nfs/dbraw/zinc/95/30/20/508953020.db2.gz CFIMSUVCXOQXKY-INIZCTEOSA-N 1 3 373.520 2.996 20 70 FFIDHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCC[C@@H](C)C1 ZINC000160304292 508967358 /nfs/dbraw/zinc/96/73/58/508967358.db2.gz BGCUPNWEKWPTIK-MSOLQXFVSA-N 1 3 352.567 2.870 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000159884716 508905826 /nfs/dbraw/zinc/90/58/26/508905826.db2.gz SRYOLRFVOHHQDG-SXLOBPIMSA-N 1 3 358.530 2.633 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000159884716 508905830 /nfs/dbraw/zinc/90/58/30/508905830.db2.gz SRYOLRFVOHHQDG-SXLOBPIMSA-N 1 3 358.530 2.633 20 70 FFIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000160254501 508961112 /nfs/dbraw/zinc/96/11/12/508961112.db2.gz YVTJJKHVEWGQPM-GOSISDBHSA-N 1 3 355.530 2.608 20 70 FFIDHO CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000161122286 509074108 /nfs/dbraw/zinc/07/41/08/509074108.db2.gz HBFKOZIHNYGERU-IBGZPJMESA-N 1 3 361.505 2.886 20 70 FFIDHO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000161298333 509098960 /nfs/dbraw/zinc/09/89/60/509098960.db2.gz IYRPTVQNDLACHW-GOSISDBHSA-N 1 3 374.529 2.556 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000159903590 508909046 /nfs/dbraw/zinc/90/90/46/508909046.db2.gz JSIGTDJJLQUMFU-WMZOPIPTSA-N 1 3 364.559 2.868 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000159903590 508909047 /nfs/dbraw/zinc/90/90/47/508909047.db2.gz JSIGTDJJLQUMFU-WMZOPIPTSA-N 1 3 364.559 2.868 20 70 FFIDHO CCn1nccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000160037995 508929134 /nfs/dbraw/zinc/92/91/34/508929134.db2.gz GTCSKIDSOVHTBD-UHFFFAOYSA-N 1 3 355.530 2.591 20 70 FFIDHO C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)N(C)C1CC1 ZINC000159864757 508902742 /nfs/dbraw/zinc/90/27/42/508902742.db2.gz GBIIEJWRRVNKIN-QGZVFWFLSA-N 1 3 350.551 2.767 20 70 FFIDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000160715147 509024518 /nfs/dbraw/zinc/02/45/18/509024518.db2.gz HHDIDEGYLFTAEJ-QGZVFWFLSA-N 1 3 350.551 2.767 20 70 FFIDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000160715147 509024523 /nfs/dbraw/zinc/02/45/23/509024523.db2.gz HHDIDEGYLFTAEJ-QGZVFWFLSA-N 1 3 350.551 2.767 20 70 FFIDHO COc1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)ccc1OC(F)F ZINC000160184650 508951310 /nfs/dbraw/zinc/95/13/10/508951310.db2.gz GISJMFGPXKUXBT-AWEZNQCLSA-N 1 3 371.472 2.973 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CN1Cc1ccccc1 ZINC000159946836 508915680 /nfs/dbraw/zinc/91/56/80/508915680.db2.gz LDSFFKBCMFMULP-QUCCMNQESA-N 1 3 370.541 2.919 20 70 FFIDHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160409337 508983218 /nfs/dbraw/zinc/98/32/18/508983218.db2.gz HCAFQMMWHLFIQT-KCLUMXDGSA-N 1 3 370.541 2.918 20 70 FFIDHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160409337 508983221 /nfs/dbraw/zinc/98/32/21/508983221.db2.gz HCAFQMMWHLFIQT-KCLUMXDGSA-N 1 3 370.541 2.918 20 70 FFIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000161329587 509102699 /nfs/dbraw/zinc/10/26/99/509102699.db2.gz GGBGJIMIFVASKU-QZTJIDSGSA-N 1 3 373.545 2.590 20 70 FFIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000161329587 509102701 /nfs/dbraw/zinc/10/27/01/509102701.db2.gz GGBGJIMIFVASKU-QZTJIDSGSA-N 1 3 373.545 2.590 20 70 FFIDHO CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159952833 508916731 /nfs/dbraw/zinc/91/67/31/508916731.db2.gz YOQQNVAQIXCSIK-HXUWFJFHSA-N 1 3 358.530 2.777 20 70 FFIDHO CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159952833 508916735 /nfs/dbraw/zinc/91/67/35/508916735.db2.gz YOQQNVAQIXCSIK-HXUWFJFHSA-N 1 3 358.530 2.777 20 70 FFIDHO COc1ccc2c(c1)[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CC2 ZINC000161228999 509088781 /nfs/dbraw/zinc/08/87/81/509088781.db2.gz XHWJLCMCFMONDP-OAQYLSRUSA-N 1 3 367.493 2.764 20 70 FFIDHO CCNC(=O)c1cccc(C[NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)c1 ZINC000160174634 508949984 /nfs/dbraw/zinc/94/99/84/508949984.db2.gz ZIBYIRKXZYQIBI-PXNSSMCTSA-N 1 3 361.530 2.663 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000160333057 508971892 /nfs/dbraw/zinc/97/18/92/508971892.db2.gz JYDYHJJTHYIEGF-NRSPTQNISA-N 1 3 370.541 2.777 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000160362338 508975866 /nfs/dbraw/zinc/97/58/66/508975866.db2.gz WTDPZXBVIBWTQG-RLLQIKCJSA-N 1 3 356.514 2.529 20 70 FFIDHO COc1ccc([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161268018 509094885 /nfs/dbraw/zinc/09/48/85/509094885.db2.gz BCPIWHWFUHLRRN-MRXNPFEDSA-N 1 3 355.482 2.837 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000161353027 509106201 /nfs/dbraw/zinc/10/62/01/509106201.db2.gz MKBDBMRDIGWHCG-ZWOKBUDYSA-N 1 3 373.545 2.589 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000161353027 509106206 /nfs/dbraw/zinc/10/62/06/509106206.db2.gz MKBDBMRDIGWHCG-ZWOKBUDYSA-N 1 3 373.545 2.589 20 70 FFIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159948983 508916088 /nfs/dbraw/zinc/91/60/88/508916088.db2.gz BGRCTQNTJLOXIQ-AZUAARDMSA-N 1 3 358.530 2.634 20 70 FFIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159948983 508916091 /nfs/dbraw/zinc/91/60/91/508916091.db2.gz BGRCTQNTJLOXIQ-AZUAARDMSA-N 1 3 358.530 2.634 20 70 FFIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159955358 508916908 /nfs/dbraw/zinc/91/69/08/508916908.db2.gz YVKOMWBZPHMTOB-UYAOXDASSA-N 1 3 358.530 2.777 20 70 FFIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159955358 508916912 /nfs/dbraw/zinc/91/69/12/508916912.db2.gz YVKOMWBZPHMTOB-UYAOXDASSA-N 1 3 358.530 2.777 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000160339143 508972584 /nfs/dbraw/zinc/97/25/84/508972584.db2.gz JKBWJKPIIOLXPW-YLJYHZDGSA-N 1 3 358.530 2.633 20 70 FFIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)o1 ZINC000160779171 509031994 /nfs/dbraw/zinc/03/19/94/509031994.db2.gz DYWLAQGQVUQBCH-KRWDZBQOSA-N 1 3 362.518 2.678 20 70 FFIDHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)o1 ZINC000160779171 509031996 /nfs/dbraw/zinc/03/19/96/509031996.db2.gz DYWLAQGQVUQBCH-KRWDZBQOSA-N 1 3 362.518 2.678 20 70 FFIDHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160882001 509043448 /nfs/dbraw/zinc/04/34/48/509043448.db2.gz NHKWMDYGODJNRW-ZWKOTPCHSA-N 1 3 352.567 2.870 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000161286624 509097234 /nfs/dbraw/zinc/09/72/34/509097234.db2.gz WSVGOWGYYIFJAW-ZWOKBUDYSA-N 1 3 373.545 2.731 20 70 FFIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000161286624 509097237 /nfs/dbraw/zinc/09/72/37/509097237.db2.gz WSVGOWGYYIFJAW-ZWOKBUDYSA-N 1 3 373.545 2.731 20 70 FFIDHO CC[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)N1CCc2ccccc2C1 ZINC000159623138 508867400 /nfs/dbraw/zinc/86/74/00/508867400.db2.gz ADSMBOPHJJIJCV-HXUWFJFHSA-N 1 3 358.530 2.561 20 70 FFIDHO CC[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)N1CCc2ccccc2C1 ZINC000159623138 508867404 /nfs/dbraw/zinc/86/74/04/508867404.db2.gz ADSMBOPHJJIJCV-HXUWFJFHSA-N 1 3 358.530 2.561 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000159783566 508890527 /nfs/dbraw/zinc/89/05/27/508890527.db2.gz NTCDOBUWWAGHFK-KRWDZBQOSA-N 1 3 364.559 2.697 20 70 FFIDHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000159783566 508890531 /nfs/dbraw/zinc/89/05/31/508890531.db2.gz NTCDOBUWWAGHFK-KRWDZBQOSA-N 1 3 364.559 2.697 20 70 FFIDHO CCN1CCCN(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000159994922 508922714 /nfs/dbraw/zinc/92/27/14/508922714.db2.gz APCOFVWAUNEFKS-OALUTQOASA-N 1 3 372.557 2.880 20 70 FFIDHO CC[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)N1CCc2ccccc2C1 ZINC000159623007 508866855 /nfs/dbraw/zinc/86/68/55/508866855.db2.gz ADSMBOPHJJIJCV-FQEVSTJZSA-N 1 3 358.530 2.561 20 70 FFIDHO CC[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)N1CCc2ccccc2C1 ZINC000159623007 508866857 /nfs/dbraw/zinc/86/68/57/508866857.db2.gz ADSMBOPHJJIJCV-FQEVSTJZSA-N 1 3 358.530 2.561 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CN1Cc1ccccc1 ZINC000159946927 508916152 /nfs/dbraw/zinc/91/61/52/508916152.db2.gz LDSFFKBCMFMULP-ICSRJNTNSA-N 1 3 370.541 2.919 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000160154657 508946916 /nfs/dbraw/zinc/94/69/16/508946916.db2.gz PDZJEYQBVSDZRL-NRSPTQNISA-N 1 3 370.541 2.919 20 70 FFIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160805428 509034752 /nfs/dbraw/zinc/03/47/52/509034752.db2.gz GFEWRCHVWOXRHB-LJQANCHMSA-N 1 3 358.530 2.777 20 70 FFIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160805428 509034754 /nfs/dbraw/zinc/03/47/54/509034754.db2.gz GFEWRCHVWOXRHB-LJQANCHMSA-N 1 3 358.530 2.777 20 70 FFIDHO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000161188856 509082735 /nfs/dbraw/zinc/08/27/35/509082735.db2.gz OIGWHBFUWCBZGS-QFIPXVFZSA-N 1 3 368.521 2.991 20 70 FFIDHO CC[NH+](CC)CCOc1ccccc1CNC1CCC(NC(C)=O)CC1 ZINC000161301580 509098764 /nfs/dbraw/zinc/09/87/64/509098764.db2.gz KAKIMNWIDOBJOP-UHFFFAOYSA-N 1 3 361.530 2.944 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000160407930 508982627 /nfs/dbraw/zinc/98/26/27/508982627.db2.gz DOHKKAHERQSWDN-XEYPJELSSA-N 1 3 358.530 2.774 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CN1Cc1ccccc1 ZINC000160407930 508982631 /nfs/dbraw/zinc/98/26/31/508982631.db2.gz DOHKKAHERQSWDN-XEYPJELSSA-N 1 3 358.530 2.774 20 70 FFIDHO COc1ccc([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161267905 509094218 /nfs/dbraw/zinc/09/42/18/509094218.db2.gz BCPIWHWFUHLRRN-INIZCTEOSA-N 1 3 355.482 2.837 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000159884966 508905699 /nfs/dbraw/zinc/90/56/99/508905699.db2.gz SRYOLRFVOHHQDG-DFQSSKMNSA-N 1 3 358.530 2.633 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000159884966 508905701 /nfs/dbraw/zinc/90/57/01/508905701.db2.gz SRYOLRFVOHHQDG-DFQSSKMNSA-N 1 3 358.530 2.633 20 70 FFIDHO C[C@H](Cn1cc(Br)cn1)NCc1ccc(C[NH+](C)C)cc1 ZINC000160873213 509042043 /nfs/dbraw/zinc/04/20/43/509042043.db2.gz YYGHTXVXQRHEER-CYBMUJFWSA-N 1 3 351.292 2.886 20 70 FFIDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000160011783 508924996 /nfs/dbraw/zinc/92/49/96/508924996.db2.gz WLEVYAOKLILYMW-YSIASYRMSA-N 1 3 358.530 2.633 20 70 FFIDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000160011783 508924998 /nfs/dbraw/zinc/92/49/98/508924998.db2.gz WLEVYAOKLILYMW-YSIASYRMSA-N 1 3 358.530 2.633 20 70 FFIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000160690261 509021187 /nfs/dbraw/zinc/02/11/87/509021187.db2.gz MPGCBWBNMYFNNX-UXHICEINSA-N 1 3 362.562 2.768 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000159884840 508905576 /nfs/dbraw/zinc/90/55/76/508905576.db2.gz SRYOLRFVOHHQDG-MISYRCLQSA-N 1 3 358.530 2.633 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000159884840 508905577 /nfs/dbraw/zinc/90/55/77/508905577.db2.gz SRYOLRFVOHHQDG-MISYRCLQSA-N 1 3 358.530 2.633 20 70 FFIDHO CCN1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000159562656 508859089 /nfs/dbraw/zinc/85/90/89/508859089.db2.gz CESMVYSLHGEMMC-UHFFFAOYSA-N 1 3 358.530 2.910 20 70 FFIDHO CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000160683272 509019385 /nfs/dbraw/zinc/01/93/85/509019385.db2.gz QJOQREOPBHEQIG-FQEVSTJZSA-N 1 3 370.541 2.777 20 70 FFIDHO CN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000160683272 509019389 /nfs/dbraw/zinc/01/93/89/509019389.db2.gz QJOQREOPBHEQIG-FQEVSTJZSA-N 1 3 370.541 2.777 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000161001277 509058753 /nfs/dbraw/zinc/05/87/53/509058753.db2.gz YAFIOQDMPQLDPS-PMPSAXMXSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161001277 509058755 /nfs/dbraw/zinc/05/87/55/509058755.db2.gz YAFIOQDMPQLDPS-PMPSAXMXSA-N 1 3 363.502 2.883 20 70 FFIDHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000161302006 509099115 /nfs/dbraw/zinc/09/91/15/509099115.db2.gz AXQIVKFDNWMBDJ-UHFFFAOYSA-N 1 3 373.541 2.599 20 70 FFIDHO CN(C)[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)Cc1ccccc1 ZINC000159857177 508901893 /nfs/dbraw/zinc/90/18/93/508901893.db2.gz MACKYSGHMLHTPB-NRFANRHFSA-N 1 3 374.573 2.923 20 70 FFIDHO C[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)CN1Cc1ccccc1 ZINC000159947104 508915862 /nfs/dbraw/zinc/91/58/62/508915862.db2.gz LDSFFKBCMFMULP-AZUAARDMSA-N 1 3 370.541 2.919 20 70 FFIDHO C[C@@H]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000160002380 508923599 /nfs/dbraw/zinc/92/35/99/508923599.db2.gz FTDSPKQTNHVQLD-MJGOQNOKSA-N 1 3 362.562 2.909 20 70 FFIDHO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000161188732 509082449 /nfs/dbraw/zinc/08/24/49/509082449.db2.gz OIGWHBFUWCBZGS-JOCHJYFZSA-N 1 3 368.521 2.991 20 70 FFIDHO CC(=O)NC1CCC([NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000161315507 509101376 /nfs/dbraw/zinc/10/13/76/509101376.db2.gz YNIWSSDFVSHVFF-UHFFFAOYSA-N 1 3 372.557 2.626 20 70 FFIDHO Cc1nn(C)cc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000159834213 508898470 /nfs/dbraw/zinc/89/84/70/508898470.db2.gz KPBXWLZQTSUSMY-UHFFFAOYSA-N 1 3 355.530 2.729 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000159945650 508915964 /nfs/dbraw/zinc/91/59/64/508915964.db2.gz DHCHUBAOPWSWAU-HZEGPAAWSA-N 1 3 370.541 2.633 20 70 FFIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000159945650 508915966 /nfs/dbraw/zinc/91/59/66/508915966.db2.gz DHCHUBAOPWSWAU-HZEGPAAWSA-N 1 3 370.541 2.633 20 70 FFIDHO CC(C)N(CC[NH+](C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000161160634 509078910 /nfs/dbraw/zinc/07/89/10/509078910.db2.gz UPBICPFBFDAVQQ-KRWDZBQOSA-N 1 3 361.534 2.589 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000159961948 508918194 /nfs/dbraw/zinc/91/81/94/508918194.db2.gz PFUVIBBFPJTURR-KVPLUYHFSA-N 1 3 358.530 2.631 20 70 FFIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000159961948 508918195 /nfs/dbraw/zinc/91/81/95/508918195.db2.gz PFUVIBBFPJTURR-KVPLUYHFSA-N 1 3 358.530 2.631 20 70 FFIDHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160437159 508986515 /nfs/dbraw/zinc/98/65/15/508986515.db2.gz HQWDDOHCICDQAX-MOPGFXCFSA-N 1 3 350.551 2.911 20 70 FFIDHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160731353 509026019 /nfs/dbraw/zinc/02/60/19/509026019.db2.gz LUEIHWVXHJYNMQ-NRFANRHFSA-N 1 3 374.573 2.923 20 70 FFIDHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160684384 509020101 /nfs/dbraw/zinc/02/01/01/509020101.db2.gz DFIUUWIKWREPNM-FQEVSTJZSA-N 1 3 358.530 2.553 20 70 FFIDHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000160684384 509020103 /nfs/dbraw/zinc/02/01/03/509020103.db2.gz DFIUUWIKWREPNM-FQEVSTJZSA-N 1 3 358.530 2.553 20 70 FFIDHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160881867 509043566 /nfs/dbraw/zinc/04/35/66/509043566.db2.gz NHKWMDYGODJNRW-QZTJIDSGSA-N 1 3 352.567 2.870 20 70 FFIDHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161085518 509069925 /nfs/dbraw/zinc/06/99/25/509069925.db2.gz PROPMTDSEMZXEI-JLSDUUJJSA-N 1 3 353.532 2.972 20 70 FFIDHO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000159537843 508854822 /nfs/dbraw/zinc/85/48/22/508854822.db2.gz FGAZFYAAOYLBHG-MRXNPFEDSA-N 1 3 350.532 2.622 20 70 FFIDHO CC[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000159537843 508854824 /nfs/dbraw/zinc/85/48/24/508854824.db2.gz FGAZFYAAOYLBHG-MRXNPFEDSA-N 1 3 350.532 2.622 20 70 FFIDHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000160093255 508937266 /nfs/dbraw/zinc/93/72/66/508937266.db2.gz YXIIESKPGYYECW-YLJYHZDGSA-N 1 3 358.530 2.821 20 70 FFIDHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160437298 508986656 /nfs/dbraw/zinc/98/66/56/508986656.db2.gz HQWDDOHCICDQAX-OALUTQOASA-N 1 3 350.551 2.911 20 70 FFIDHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000161085437 509069570 /nfs/dbraw/zinc/06/95/70/509069570.db2.gz PROPMTDSEMZXEI-QGTPRVQTSA-N 1 3 353.532 2.972 20 70 FFIDHO CCn1nccc1C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000159936941 508914041 /nfs/dbraw/zinc/91/40/41/508914041.db2.gz SZWUSIYIXJEHRJ-UHFFFAOYSA-N 1 3 355.530 2.903 20 70 FFIDHO CC[NH2+]CC1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000161142265 509076663 /nfs/dbraw/zinc/07/66/63/509076663.db2.gz CZMQAYZDWLLBCJ-UHFFFAOYSA-N 1 3 372.557 2.679 20 70 FFIDHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)c1ccsc1 ZINC000159619992 508867223 /nfs/dbraw/zinc/86/72/23/508867223.db2.gz PFKOMXVYIJDOED-KRWDZBQOSA-N 1 3 352.548 2.868 20 70 FFIDHO CCN(CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)c1ccsc1 ZINC000159619992 508867226 /nfs/dbraw/zinc/86/72/26/508867226.db2.gz PFKOMXVYIJDOED-KRWDZBQOSA-N 1 3 352.548 2.868 20 70 FFIDHO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000159670768 508873878 /nfs/dbraw/zinc/87/38/78/508873878.db2.gz MVJBYSRRVZXBJR-UHFFFAOYSA-N 1 3 358.530 2.561 20 70 FFIDHO CC[N@H+]1CCCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000159670768 508873882 /nfs/dbraw/zinc/87/38/82/508873882.db2.gz MVJBYSRRVZXBJR-UHFFFAOYSA-N 1 3 358.530 2.561 20 70 FFIDHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CN1Cc1ccccc1 ZINC000160333297 508971651 /nfs/dbraw/zinc/97/16/51/508971651.db2.gz JYDYHJJTHYIEGF-HMXCVIKNSA-N 1 3 370.541 2.777 20 70 FFIDHO C[C@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CN1Cc1ccccc1 ZINC000160338995 508972646 /nfs/dbraw/zinc/97/26/46/508972646.db2.gz JKBWJKPIIOLXPW-PXNSSMCTSA-N 1 3 358.530 2.633 20 70 FFIDHO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000159537718 508854542 /nfs/dbraw/zinc/85/45/42/508854542.db2.gz FGAZFYAAOYLBHG-INIZCTEOSA-N 1 3 350.532 2.622 20 70 FFIDHO CC[N@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000159537718 508854545 /nfs/dbraw/zinc/85/45/45/508854545.db2.gz FGAZFYAAOYLBHG-INIZCTEOSA-N 1 3 350.532 2.622 20 70 FFIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160805548 509034682 /nfs/dbraw/zinc/03/46/82/509034682.db2.gz GFEWRCHVWOXRHB-IBGZPJMESA-N 1 3 358.530 2.777 20 70 FFIDHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160805548 509034685 /nfs/dbraw/zinc/03/46/85/509034685.db2.gz GFEWRCHVWOXRHB-IBGZPJMESA-N 1 3 358.530 2.777 20 70 FFIDHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c(OC)c1 ZINC000161017834 509059840 /nfs/dbraw/zinc/05/98/40/509059840.db2.gz LDGAAFVNMUNHDV-JYJNAYRXSA-N 1 3 363.502 2.883 20 70 FFIDHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161017834 509059842 /nfs/dbraw/zinc/05/98/42/509059842.db2.gz LDGAAFVNMUNHDV-JYJNAYRXSA-N 1 3 363.502 2.883 20 70 FFIDHO