smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[NH2+]C3CC(NS(C)(=O)=O)C3)cc2F)CC1 ZINC001322685602 868907557 /nfs/dbraw/zinc/90/75/57/868907557.db2.gz IQYCYLYLSUCLDX-UHFFFAOYSA-N 2 1 370.494 0.747 20 10 FCCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000814170791 669877298 /nfs/dbraw/zinc/87/72/98/669877298.db2.gz CNRFDSJQMWDSFL-GOSISDBHSA-N 2 1 366.531 0.904 20 10 FCCDMP COc1c(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047923 670770290 /nfs/dbraw/zinc/77/02/90/670770290.db2.gz BVNYCQZHAOYNSQ-GFCCVEGCSA-N 2 1 352.391 0.596 20 10 FCCDMP COc1c(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047923 670770296 /nfs/dbraw/zinc/77/02/96/670770296.db2.gz BVNYCQZHAOYNSQ-GFCCVEGCSA-N 2 1 352.391 0.596 20 10 FCCDMP COCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000884235139 673440976 /nfs/dbraw/zinc/44/09/76/673440976.db2.gz NHYRWQBGPQVCLW-QGZVFWFLSA-N 2 1 350.463 0.297 20 10 FCCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968528 1203147499 /nfs/dbraw/zinc/14/74/99/1203147499.db2.gz UDAAFCJUJJNREQ-LPHOPBHVSA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968528 1203147503 /nfs/dbraw/zinc/14/75/03/1203147503.db2.gz UDAAFCJUJJNREQ-LPHOPBHVSA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968530 1203147800 /nfs/dbraw/zinc/14/78/00/1203147800.db2.gz UDAAFCJUJJNREQ-VQIMIIECSA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968530 1203147802 /nfs/dbraw/zinc/14/78/02/1203147802.db2.gz UDAAFCJUJJNREQ-VQIMIIECSA-N 2 1 360.502 0.933 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013608 1220102079 /nfs/dbraw/zinc/10/20/79/1220102079.db2.gz KXUMTQDVHZTSLL-ZIFCJYIRSA-N 2 1 360.502 0.329 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013608 1220102081 /nfs/dbraw/zinc/10/20/81/1220102081.db2.gz KXUMTQDVHZTSLL-ZIFCJYIRSA-N 2 1 360.502 0.329 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841750971 1222828798 /nfs/dbraw/zinc/82/87/98/1222828798.db2.gz UMKNBNHOFJRRJY-INIZCTEOSA-N 2 1 361.490 0.868 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001276553385 1223514719 /nfs/dbraw/zinc/51/47/19/1223514719.db2.gz OIUVOWRLHYIYQR-GOSISDBHSA-N 2 1 365.430 0.168 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000775652784 668226153 /nfs/dbraw/zinc/22/61/53/668226153.db2.gz TZIBACBQEMKMBL-QGZVFWFLSA-N 2 1 366.531 0.952 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000785979020 668739679 /nfs/dbraw/zinc/73/96/79/668739679.db2.gz KRKIMBDYNROHRS-QGZVFWFLSA-N 2 1 352.504 0.691 20 10 FCCDMP COCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000884235138 673441096 /nfs/dbraw/zinc/44/10/96/673441096.db2.gz NHYRWQBGPQVCLW-KRWDZBQOSA-N 2 1 350.463 0.297 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000899099355 1194111221 /nfs/dbraw/zinc/11/12/21/1194111221.db2.gz ZIZMKNLODZRVOH-ROUUACIJSA-N 2 1 363.506 0.721 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000899099356 1194111395 /nfs/dbraw/zinc/11/13/95/1194111395.db2.gz ZIZMKNLODZRVOH-ZWKOTPCHSA-N 2 1 363.506 0.721 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNCC[N@H+](C)C3CC3)CC2)cc1 ZINC000818974477 1203148212 /nfs/dbraw/zinc/14/82/12/1203148212.db2.gz ATBAUGNRYMUQSD-LJQANCHMSA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000818974477 1203148215 /nfs/dbraw/zinc/14/82/15/1203148215.db2.gz ATBAUGNRYMUQSD-LJQANCHMSA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000819061539 1203148327 /nfs/dbraw/zinc/14/83/27/1203148327.db2.gz WDQBBIMYEYEVRU-RTBURBONSA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000819061539 1203148329 /nfs/dbraw/zinc/14/83/29/1203148329.db2.gz WDQBBIMYEYEVRU-RTBURBONSA-N 2 1 362.518 0.862 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001275035379 1211168771 /nfs/dbraw/zinc/16/87/71/1211168771.db2.gz SOBUQGRALZXMRC-LJQANCHMSA-N 2 1 363.458 0.710 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000829504286 1222439349 /nfs/dbraw/zinc/43/93/49/1222439349.db2.gz CVQSKMQDWVTEFP-ICSRJNTNSA-N 2 1 358.486 0.933 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001276553390 1223514990 /nfs/dbraw/zinc/51/49/90/1223514990.db2.gz OIUVOWRLHYIYQR-SFHVURJKSA-N 2 1 365.430 0.168 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332756 1245709626 /nfs/dbraw/zinc/70/96/26/1245709626.db2.gz WOZVJOJRWKPRTA-FPOVZHCZSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332756 1245709632 /nfs/dbraw/zinc/70/96/32/1245709632.db2.gz WOZVJOJRWKPRTA-FPOVZHCZSA-N 2 1 374.529 0.864 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CS(N)(=O)=O)C3)cc2F)CC1 ZINC001343284029 870340241 /nfs/dbraw/zinc/34/02/41/870340241.db2.gz DWXOWMKVMVMPBP-HNNXBMFYSA-N 2 1 370.494 0.688 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)cc2F)CC1 ZINC001343284029 870340257 /nfs/dbraw/zinc/34/02/57/870340257.db2.gz DWXOWMKVMVMPBP-HNNXBMFYSA-N 2 1 370.494 0.688 20 10 FCCDMP CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779610073 668431166 /nfs/dbraw/zinc/43/11/66/668431166.db2.gz XZCMEFWVSHNPBV-SFHVURJKSA-N 2 1 366.531 0.952 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000911306752 1195932147 /nfs/dbraw/zinc/93/21/47/1195932147.db2.gz PLYYWZNFXJUZQD-CQSZACIVSA-N 2 1 371.432 0.182 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001275035378 1211168505 /nfs/dbraw/zinc/16/85/05/1211168505.db2.gz SOBUQGRALZXMRC-IBGZPJMESA-N 2 1 363.458 0.710 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000931888991 1211780346 /nfs/dbraw/zinc/78/03/46/1211780346.db2.gz AJQCDKAGEWFLNI-IAGOWNOFSA-N 2 1 361.490 0.292 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[NH+](C)C)cc1 ZINC000931888991 1211780348 /nfs/dbraw/zinc/78/03/48/1211780348.db2.gz AJQCDKAGEWFLNI-IAGOWNOFSA-N 2 1 361.490 0.292 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013606 1220101790 /nfs/dbraw/zinc/10/17/90/1220101790.db2.gz KXUMTQDVHZTSLL-LNLFQRSKSA-N 2 1 360.502 0.329 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841749082 1222828998 /nfs/dbraw/zinc/82/89/98/1222828998.db2.gz AAPQGRQXAMYOKS-GOSISDBHSA-N 2 1 361.490 0.854 20 10 FCCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047897 1222857559 /nfs/dbraw/zinc/85/75/59/1222857559.db2.gz AODIBCCJCUJIHW-MRXNPFEDSA-N 2 1 364.465 0.949 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](N4CCNCC4=O)C3)cc2)CC1 ZINC000843065352 1222858593 /nfs/dbraw/zinc/85/85/93/1222858593.db2.gz LBJFBEYIIVZAEA-HXUWFJFHSA-N 2 1 371.529 0.835 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923281254 1245705049 /nfs/dbraw/zinc/70/50/49/1245705049.db2.gz NKQFQSZTEGSZFO-MJGOQNOKSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923281254 1245705056 /nfs/dbraw/zinc/70/50/56/1245705056.db2.gz NKQFQSZTEGSZFO-MJGOQNOKSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000923357963 1245712693 /nfs/dbraw/zinc/71/26/93/1245712693.db2.gz BVSZGZGJHDNTQJ-HFSMHLIXSA-N 2 1 374.529 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000923357963 1245712699 /nfs/dbraw/zinc/71/26/99/1245712699.db2.gz BVSZGZGJHDNTQJ-HFSMHLIXSA-N 2 1 374.529 0.862 20 10 FCCDMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@@H]2N1 ZINC001235284041 1259569122 /nfs/dbraw/zinc/56/91/22/1259569122.db2.gz RZLIDJYMAALGMT-QRQLOZEOSA-N 2 1 358.486 0.822 20 10 FCCDMP Oc1c(C[NH+]2CCNCC[NH2+]CCNCC2)cc2c3c1CCCN3CCC2 ZINC001235870213 1259582523 /nfs/dbraw/zinc/58/25/23/1259582523.db2.gz GHNMVEIRVYLKPZ-UHFFFAOYSA-N 2 1 373.545 0.675 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCN(S(C)(=O)=O)C3)cc2F)CC1 ZINC001326785977 870499140 /nfs/dbraw/zinc/49/91/40/870499140.db2.gz DOEKAHWGOKVVPE-HNNXBMFYSA-N 2 1 370.494 0.701 20 10 FCCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000814170792 669877365 /nfs/dbraw/zinc/87/73/65/669877365.db2.gz CNRFDSJQMWDSFL-SFHVURJKSA-N 2 1 366.531 0.904 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000891246764 1169806743 /nfs/dbraw/zinc/80/67/43/1169806743.db2.gz DDVITUBDTXGSCJ-MOPGFXCFSA-N 2 1 359.518 0.861 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)CCN3CCOCC3)cc2)CC1 ZINC000775657641 1208020428 /nfs/dbraw/zinc/02/04/28/1208020428.db2.gz DTJSSJPSMSLEHG-UHFFFAOYSA-N 2 1 362.518 0.565 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000881852442 1210602307 /nfs/dbraw/zinc/60/23/07/1210602307.db2.gz QDDIDBYOHPLRQK-IBGZPJMESA-N 2 1 357.502 0.445 20 10 FCCDMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665592 1210944324 /nfs/dbraw/zinc/94/43/24/1210944324.db2.gz RPRGKHQLDYEFLN-UHFFFAOYSA-N 2 1 363.506 0.552 20 10 FCCDMP COc1cccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1O ZINC001275241508 1211200930 /nfs/dbraw/zinc/20/09/30/1211200930.db2.gz IRVSPNQFDFLLTC-IBGZPJMESA-N 2 1 363.458 0.766 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)cc1 ZINC000831729514 1222505514 /nfs/dbraw/zinc/50/55/14/1222505514.db2.gz WCSIKYVVHMEOGV-HFSMHLIXSA-N 2 1 374.529 0.814 20 10 FCCDMP COCCN1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1=O ZINC001139409590 1222549517 /nfs/dbraw/zinc/54/95/17/1222549517.db2.gz CYXSTYRQQXMTKA-ICSRJNTNSA-N 2 1 372.513 0.975 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841750973 1222828970 /nfs/dbraw/zinc/82/89/70/1222828970.db2.gz UMKNBNHOFJRRJY-MRXNPFEDSA-N 2 1 361.490 0.868 20 10 FCCDMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841892829 1222831099 /nfs/dbraw/zinc/83/10/99/1222831099.db2.gz YCNZJPNJAXQSTK-SFHVURJKSA-N 2 1 374.485 0.692 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H](CC[NH3+])C3)CC2)cc1 ZINC000923480018 1245724341 /nfs/dbraw/zinc/72/43/41/1245724341.db2.gz TZEFPBQSXWFPAB-IEBWSBKVSA-N 2 1 362.518 0.849 20 10 FCCDMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001529196020 1267043756 /nfs/dbraw/zinc/04/37/56/1267043756.db2.gz QLPWNEAZWIOAKG-ATZDWAIDSA-N 2 1 359.518 0.860 20 10 FCCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000269246015 488482465 /nfs/dbraw/zinc/48/24/65/488482465.db2.gz DNCHCVBZFGRJDK-QGZVFWFLSA-N 2 1 364.515 0.986 20 10 FCCDMP CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775696959 668226767 /nfs/dbraw/zinc/22/67/67/668226767.db2.gz RMHDBEFKLXJRCA-SFHVURJKSA-N 2 1 366.531 0.952 20 10 FCCDMP CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775734260 668228606 /nfs/dbraw/zinc/22/86/06/668228606.db2.gz NBNMFIPKYBDOTI-GOSISDBHSA-N 2 1 366.531 0.952 20 10 FCCDMP C[N@@H+](C[C@H](O)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483515 1195588977 /nfs/dbraw/zinc/58/89/77/1195588977.db2.gz ZTYDWCTVVHIJNI-LJQANCHMSA-N 2 1 360.502 0.933 20 10 FCCDMP CN(C[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483515 1195588979 /nfs/dbraw/zinc/58/89/79/1195588979.db2.gz ZTYDWCTVVHIJNI-LJQANCHMSA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483515 1195588982 /nfs/dbraw/zinc/58/89/82/1195588982.db2.gz ZTYDWCTVVHIJNI-LJQANCHMSA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483515 1195588983 /nfs/dbraw/zinc/58/89/83/1195588983.db2.gz ZTYDWCTVVHIJNI-LJQANCHMSA-N 2 1 360.502 0.933 20 10 FCCDMP CN(C)C(=O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775644704 1208009953 /nfs/dbraw/zinc/00/99/53/1208009953.db2.gz RPGUTSKQADBBIJ-UHFFFAOYSA-N 2 1 359.518 0.644 20 10 FCCDMP COc1ccc(N2CCN(CC[NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000863552219 1209945263 /nfs/dbraw/zinc/94/52/63/1209945263.db2.gz WLNODIAROBNTCF-LJQANCHMSA-N 2 1 362.518 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013607 1220102214 /nfs/dbraw/zinc/10/22/14/1220102214.db2.gz KXUMTQDVHZTSLL-SCTDSRPQSA-N 2 1 360.502 0.329 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013607 1220102217 /nfs/dbraw/zinc/10/22/17/1220102217.db2.gz KXUMTQDVHZTSLL-SCTDSRPQSA-N 2 1 360.502 0.329 20 10 FCCDMP COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000840956575 1222803859 /nfs/dbraw/zinc/80/38/59/1222803859.db2.gz AARXOPQQCSATPU-SFHVURJKSA-N 2 1 360.502 0.975 20 10 FCCDMP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+](C)C1 ZINC000840956575 1222803862 /nfs/dbraw/zinc/80/38/62/1222803862.db2.gz AARXOPQQCSATPU-SFHVURJKSA-N 2 1 360.502 0.975 20 10 FCCDMP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+](C)C1 ZINC000840956575 1222803863 /nfs/dbraw/zinc/80/38/63/1222803863.db2.gz AARXOPQQCSATPU-SFHVURJKSA-N 2 1 360.502 0.975 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N(C)C3CC([NH3+])C3)CC2)cc1 ZINC000841750063 1222828977 /nfs/dbraw/zinc/82/89/77/1222828977.db2.gz KZJWHZSGKUAOHS-UHFFFAOYSA-N 2 1 361.490 0.948 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000843048129 1222857449 /nfs/dbraw/zinc/85/74/49/1222857449.db2.gz OKMUHUVKZWMHBA-SFHVURJKSA-N 3 1 359.518 0.725 20 10 FCCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000843048129 1222857450 /nfs/dbraw/zinc/85/74/50/1222857450.db2.gz OKMUHUVKZWMHBA-SFHVURJKSA-N 2 1 359.518 0.725 20 10 FCCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000843048129 1222857451 /nfs/dbraw/zinc/85/74/51/1222857451.db2.gz OKMUHUVKZWMHBA-SFHVURJKSA-N 2 1 359.518 0.725 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923516197 1245724546 /nfs/dbraw/zinc/72/45/46/1245724546.db2.gz UVAHQUHDZUXNIV-NLWGTHIKSA-N 2 1 374.529 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923516197 1245724550 /nfs/dbraw/zinc/72/45/50/1245724550.db2.gz UVAHQUHDZUXNIV-NLWGTHIKSA-N 2 1 374.529 0.719 20 10 FCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235366520 1259570487 /nfs/dbraw/zinc/57/04/87/1259570487.db2.gz FIJONKFUPLVOCO-ILZDJORESA-N 3 1 358.486 0.755 20 10 FCCDMP CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206491865 853693624 /nfs/dbraw/zinc/69/36/24/853693624.db2.gz NWTIVWXQRACSDU-WMLDXEAASA-N 2 1 352.431 0.866 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000891246765 1169806610 /nfs/dbraw/zinc/80/66/10/1169806610.db2.gz DDVITUBDTXGSCJ-OALUTQOASA-N 2 1 359.518 0.861 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC000818940791 1203146104 /nfs/dbraw/zinc/14/61/04/1203146104.db2.gz GBADHPKPILMECU-LJQANCHMSA-N 2 1 362.518 0.862 20 10 FCCDMP CCNC(=O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775649841 1208016808 /nfs/dbraw/zinc/01/68/08/1208016808.db2.gz TUVSMKDLQYINNS-UHFFFAOYSA-N 2 1 359.518 0.692 20 10 FCCDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(O)ccc3O)CC[C@@H]2C1 ZINC001141159699 1222635015 /nfs/dbraw/zinc/63/50/15/1222635015.db2.gz IKQGMXYVVRRSIF-RDTXWAMCSA-N 2 1 363.458 0.709 20 10 FCCDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(O)ccc3O)CC[C@@H]2C1 ZINC001141159699 1222635020 /nfs/dbraw/zinc/63/50/20/1222635020.db2.gz IKQGMXYVVRRSIF-RDTXWAMCSA-N 2 1 363.458 0.709 20 10 FCCDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)CC[C@@H]2C1 ZINC001141159699 1222635025 /nfs/dbraw/zinc/63/50/25/1222635025.db2.gz IKQGMXYVVRRSIF-RDTXWAMCSA-N 2 1 363.458 0.709 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000841749906 1222829036 /nfs/dbraw/zinc/82/90/36/1222829036.db2.gz JQFVHJVCFYROCX-INIZCTEOSA-N 2 1 361.490 0.807 20 10 FCCDMP O=C1CCC[C@]2(CNCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184116 1259567622 /nfs/dbraw/zinc/56/76/22/1259567622.db2.gz LHBSMEAASBEPJC-HXUWFJFHSA-N 2 1 373.501 0.246 20 10 FCCDMP O=C1CCC[C@]2(CNCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184116 1259567628 /nfs/dbraw/zinc/56/76/28/1259567628.db2.gz LHBSMEAASBEPJC-HXUWFJFHSA-N 2 1 373.501 0.246 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3cccc(F)c3O)C2)OCC1=O ZINC001276086762 861313085 /nfs/dbraw/zinc/31/30/85/861313085.db2.gz UAXSISRUOWMTEQ-SFHVURJKSA-N 2 1 351.422 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)OCC1=O ZINC001276086762 861313105 /nfs/dbraw/zinc/31/31/05/861313105.db2.gz UAXSISRUOWMTEQ-SFHVURJKSA-N 2 1 351.422 0.896 20 10 FCCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CSC[NH2+]3)CC2)cc1 ZINC000269279807 488486088 /nfs/dbraw/zinc/48/60/88/488486088.db2.gz DNCHCVBZFGRJDK-KRWDZBQOSA-N 2 1 364.515 0.986 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000269294780 488488016 /nfs/dbraw/zinc/48/80/16/488488016.db2.gz NAQMDZATMHTYKT-SFHVURJKSA-N 2 1 362.474 0.312 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000891246767 1169806801 /nfs/dbraw/zinc/80/68/01/1169806801.db2.gz DDVITUBDTXGSCJ-RTBURBONSA-N 2 1 359.518 0.861 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000819061536 1203148238 /nfs/dbraw/zinc/14/82/38/1203148238.db2.gz WDQBBIMYEYEVRU-MOPGFXCFSA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000819061536 1203148239 /nfs/dbraw/zinc/14/82/39/1203148239.db2.gz WDQBBIMYEYEVRU-MOPGFXCFSA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852873215 1209571263 /nfs/dbraw/zinc/57/12/63/1209571263.db2.gz QPTTUUJPMRSCMX-ZWKOTPCHSA-N 2 1 362.474 0.297 20 10 FCCDMP C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000881852127 1210602700 /nfs/dbraw/zinc/60/27/00/1210602700.db2.gz XAGKJDHUMODVOI-QGZVFWFLSA-N 2 1 359.518 0.691 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000889659286 1210943184 /nfs/dbraw/zinc/94/31/84/1210943184.db2.gz UDVPXYVZZANWPZ-GOSISDBHSA-N 2 1 361.490 0.304 20 10 FCCDMP COc1ccc(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(O)c1 ZINC001275242155 1211200969 /nfs/dbraw/zinc/20/09/69/1211200969.db2.gz RFYIUQDSKNIDQV-IBGZPJMESA-N 2 1 363.458 0.766 20 10 FCCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1O ZINC001275279485 1211207005 /nfs/dbraw/zinc/20/70/05/1211207005.db2.gz HSHIUQWEXXIKLY-LJQANCHMSA-N 2 1 363.458 0.771 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000841750388 1222828792 /nfs/dbraw/zinc/82/87/92/1222828792.db2.gz PPFNEKMTIXYBNJ-PIIMJCKOSA-N 2 1 359.474 0.334 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000841750925 1222828957 /nfs/dbraw/zinc/82/89/57/1222828957.db2.gz TZPRDLXBSWWTNE-CALCHBBNSA-N 2 1 373.501 0.678 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841751471 1222829042 /nfs/dbraw/zinc/82/90/42/1222829042.db2.gz ZEVNTEMXTPUFJI-INIZCTEOSA-N 2 1 361.490 0.868 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCn3cc[nH+]c3C)CC2)cc1 ZINC000818990187 1245316497 /nfs/dbraw/zinc/31/64/97/1245316497.db2.gz ZKQKOILQUHBGKV-LJQANCHMSA-N 2 1 373.501 0.973 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923290544 1245704741 /nfs/dbraw/zinc/70/47/41/1245704741.db2.gz YQOXBOASIQVZAE-XKGZKEIXSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923290544 1245704748 /nfs/dbraw/zinc/70/47/48/1245704748.db2.gz YQOXBOASIQVZAE-XKGZKEIXSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000923333133 1245711100 /nfs/dbraw/zinc/71/11/00/1245711100.db2.gz URKKPUOHRQAHCE-AOIWGVFYSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355771 1245712579 /nfs/dbraw/zinc/71/25/79/1245712579.db2.gz NYPVGGPSBSVKLQ-ICSRJNTNSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355771 1245712588 /nfs/dbraw/zinc/71/25/88/1245712588.db2.gz NYPVGGPSBSVKLQ-ICSRJNTNSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355773 1245713003 /nfs/dbraw/zinc/71/30/03/1245713003.db2.gz NYPVGGPSBSVKLQ-UYAOXDASSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355773 1245713010 /nfs/dbraw/zinc/71/30/10/1245713010.db2.gz NYPVGGPSBSVKLQ-UYAOXDASSA-N 2 1 362.518 0.849 20 10 FCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001235199100 1259568798 /nfs/dbraw/zinc/56/87/98/1259568798.db2.gz GDZMEPFCAGLSMN-HXUWFJFHSA-N 2 1 360.502 0.677 20 10 FCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCO[C@]2(CNCCOC2)C1 ZINC001235199100 1259568805 /nfs/dbraw/zinc/56/88/05/1259568805.db2.gz GDZMEPFCAGLSMN-HXUWFJFHSA-N 2 1 360.502 0.677 20 10 FCCDMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCC[NH2+]C4)C[C@@H]2N1 ZINC001235282722 1259569608 /nfs/dbraw/zinc/56/96/08/1259569608.db2.gz HWLAIZHOYAFBHE-BMFZPTHFSA-N 2 1 361.442 0.600 20 10 FCCDMP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001249216513 1259722163 /nfs/dbraw/zinc/72/21/63/1259722163.db2.gz BZXWGQQAHUEEAT-MRXNPFEDSA-N 2 1 363.458 0.750 20 10 FCCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001249216513 1259722165 /nfs/dbraw/zinc/72/21/65/1259722165.db2.gz BZXWGQQAHUEEAT-MRXNPFEDSA-N 2 1 363.458 0.750 20 10 FCCDMP COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261009 849333549 /nfs/dbraw/zinc/33/35/49/849333549.db2.gz RTWMBFSLBZPUKF-HNNXBMFYSA-N 2 1 351.447 0.751 20 10 FCCDMP COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261009 849333561 /nfs/dbraw/zinc/33/35/61/849333561.db2.gz RTWMBFSLBZPUKF-HNNXBMFYSA-N 2 1 351.447 0.751 20 10 FCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001205248978 853601749 /nfs/dbraw/zinc/60/17/49/853601749.db2.gz VBAINFINEFDKFY-GOSISDBHSA-N 2 1 367.515 0.597 20 10 FCCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000849326406 671328017 /nfs/dbraw/zinc/32/80/17/671328017.db2.gz IBTYJINGNAKWFD-SFHVURJKSA-N 2 1 367.515 0.466 20 10 FCCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000849326406 671328020 /nfs/dbraw/zinc/32/80/20/671328020.db2.gz IBTYJINGNAKWFD-SFHVURJKSA-N 2 1 367.515 0.466 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000891447726 1170539880 /nfs/dbraw/zinc/53/98/80/1170539880.db2.gz COWIKKWCLVOJKM-HOTGVXAUSA-N 2 1 361.490 0.948 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000844217107 1204382803 /nfs/dbraw/zinc/38/28/03/1204382803.db2.gz CKVUNQRTJLMNAT-INIZCTEOSA-N 2 1 361.490 0.156 20 10 FCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000775712868 1208079795 /nfs/dbraw/zinc/07/97/95/1208079795.db2.gz KLTHSQVIRQXEOP-HXUWFJFHSA-N 2 1 362.518 0.563 20 10 FCCDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@@H]2C1 ZINC001203876391 1223296984 /nfs/dbraw/zinc/29/69/84/1223296984.db2.gz CPYQFLVGDBPXBI-CRAIPNDOSA-N 2 1 363.458 0.709 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCn3cc[nH+]c3C)CC2)cc1 ZINC000818990186 1245316430 /nfs/dbraw/zinc/31/64/30/1245316430.db2.gz ZKQKOILQUHBGKV-IBGZPJMESA-N 2 1 373.501 0.973 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000923280649 1245703558 /nfs/dbraw/zinc/70/35/58/1245703558.db2.gz ZFJMWVYXISWKGS-IBGZPJMESA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000923280649 1245703560 /nfs/dbraw/zinc/70/35/60/1245703560.db2.gz ZFJMWVYXISWKGS-IBGZPJMESA-N 2 1 362.518 0.862 20 10 FCCDMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285092 1245705409 /nfs/dbraw/zinc/70/54/09/1245705409.db2.gz AADGCSBEFXPURH-MJGOQNOKSA-N 2 1 362.518 0.719 20 10 FCCDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285092 1245705414 /nfs/dbraw/zinc/70/54/14/1245705414.db2.gz AADGCSBEFXPURH-MJGOQNOKSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@H](CC[NH3+])C3)CC2)cc1 ZINC000923480022 1245725237 /nfs/dbraw/zinc/72/52/37/1245725237.db2.gz TZEFPBQSXWFPAB-PKOBYXMFSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395134 1259643220 /nfs/dbraw/zinc/64/32/20/1259643220.db2.gz QBEJPHHNALXHAV-IEBWSBKVSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001335395134 1259643229 /nfs/dbraw/zinc/64/32/29/1259643229.db2.gz QBEJPHHNALXHAV-IEBWSBKVSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395134 1259643237 /nfs/dbraw/zinc/64/32/37/1259643237.db2.gz QBEJPHHNALXHAV-IEBWSBKVSA-N 2 1 362.518 0.719 20 10 FCCDMP CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206541941 853697665 /nfs/dbraw/zinc/69/76/65/853697665.db2.gz NWTIVWXQRACSDU-YOEHRIQHSA-N 2 1 352.431 0.866 20 10 FCCDMP CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327532890 870928707 /nfs/dbraw/zinc/92/87/07/870928707.db2.gz MJLULKBAFPMAGH-UHFFFAOYSA-N 2 1 358.483 0.559 20 10 FCCDMP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775741202 668229048 /nfs/dbraw/zinc/22/90/48/668229048.db2.gz YIDAOAILAALQRX-QGZVFWFLSA-N 2 1 352.504 0.562 20 10 FCCDMP C[N@@H+](CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000897550574 1192795852 /nfs/dbraw/zinc/79/58/52/1192795852.db2.gz OCIDTRJWIYRPFI-UHFFFAOYSA-N 2 1 373.501 0.265 20 10 FCCDMP COc1ccc(N2CCN(CCCNC(=O)[C@@H]([NH3+])CCC[NH3+])CC2)cc1 ZINC001219962666 1224703160 /nfs/dbraw/zinc/70/31/60/1224703160.db2.gz DTVUOARUNLRGPZ-SFHVURJKSA-N 2 1 363.506 0.390 20 10 FCCDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)CC[C@@H]21 ZINC001144507956 1204543272 /nfs/dbraw/zinc/54/32/72/1204543272.db2.gz GUNXCLHZIAZHIA-WWGRRREGSA-N 2 1 359.430 0.990 20 10 FCCDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)CC[C@@H]21 ZINC001144507956 1204543275 /nfs/dbraw/zinc/54/32/75/1204543275.db2.gz GUNXCLHZIAZHIA-WWGRRREGSA-N 2 1 359.430 0.990 20 10 FCCDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@@H]21 ZINC001144507956 1204543280 /nfs/dbraw/zinc/54/32/80/1204543280.db2.gz GUNXCLHZIAZHIA-WWGRRREGSA-N 2 1 359.430 0.990 20 10 FCCDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)CC[C@@H]21 ZINC001144507956 1204543283 /nfs/dbraw/zinc/54/32/83/1204543283.db2.gz GUNXCLHZIAZHIA-WWGRRREGSA-N 2 1 359.430 0.990 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](N)CC[NH+](C)C)CC2)cc1 ZINC000846673743 1204651214 /nfs/dbraw/zinc/65/12/14/1204651214.db2.gz DVWPEYGESQGRJC-SFHVURJKSA-N 2 1 363.506 0.212 20 10 FCCDMP CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CCN2C1=O ZINC000775735895 1208101181 /nfs/dbraw/zinc/10/11/81/1208101181.db2.gz DWFDQRNQGLSVBB-SFHVURJKSA-N 2 1 371.485 0.907 20 10 FCCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H]3CC[NH+](C)C[C@@H]3C1)cc2=O ZINC000931439462 1211756414 /nfs/dbraw/zinc/75/64/14/1211756414.db2.gz WBZULKOTLKEQEC-QWHCGFSZSA-N 2 1 359.430 0.995 20 10 FCCDMP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H]3CC[NH+](C)C[C@@H]3C1)cc2=O ZINC000931439462 1211756415 /nfs/dbraw/zinc/75/64/15/1211756415.db2.gz WBZULKOTLKEQEC-QWHCGFSZSA-N 2 1 359.430 0.995 20 10 FCCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@@H]3CC[N@H+](C)C[C@@H]3C1)cc2=O ZINC000931439462 1211756416 /nfs/dbraw/zinc/75/64/16/1211756416.db2.gz WBZULKOTLKEQEC-QWHCGFSZSA-N 2 1 359.430 0.995 20 10 FCCDMP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@@H]3CC[N@@H+](C)C[C@@H]3C1)cc2=O ZINC000931439462 1211756417 /nfs/dbraw/zinc/75/64/17/1211756417.db2.gz WBZULKOTLKEQEC-QWHCGFSZSA-N 2 1 359.430 0.995 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332758 1245709420 /nfs/dbraw/zinc/70/94/20/1245709420.db2.gz WOZVJOJRWKPRTA-PZJWPPBQSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332758 1245709427 /nfs/dbraw/zinc/70/94/27/1245709427.db2.gz WOZVJOJRWKPRTA-PZJWPPBQSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395138 1259642997 /nfs/dbraw/zinc/64/29/97/1259642997.db2.gz QBEJPHHNALXHAV-PKOBYXMFSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001335395138 1259643007 /nfs/dbraw/zinc/64/30/07/1259643007.db2.gz QBEJPHHNALXHAV-PKOBYXMFSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395138 1259643017 /nfs/dbraw/zinc/64/30/17/1259643017.db2.gz QBEJPHHNALXHAV-PKOBYXMFSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1cc(O)c(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)cc1OC ZINC001279673795 1260912797 /nfs/dbraw/zinc/91/27/97/1260912797.db2.gz KNDLXSKKHQBXIT-IYBDPMFKSA-N 2 1 365.474 0.856 20 10 FCCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)cc1OC ZINC001279673795 1260912803 /nfs/dbraw/zinc/91/28/03/1260912803.db2.gz KNDLXSKKHQBXIT-IYBDPMFKSA-N 2 1 365.474 0.856 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3cccc(F)c3O)C2)OCC1=O ZINC001276086761 861312570 /nfs/dbraw/zinc/31/25/70/861312570.db2.gz UAXSISRUOWMTEQ-GOSISDBHSA-N 2 1 351.422 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)OCC1=O ZINC001276086761 861312589 /nfs/dbraw/zinc/31/25/89/861312589.db2.gz UAXSISRUOWMTEQ-GOSISDBHSA-N 2 1 351.422 0.896 20 10 FCCDMP O=S1(=O)CCN(c2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cc2)CC1 ZINC001234988818 857416891 /nfs/dbraw/zinc/41/68/91/857416891.db2.gz KBEHXSVBLBOLPR-GOSISDBHSA-N 2 1 364.515 0.059 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=S)NCC[NH+](C)C)CC2)cc1 ZINC000742910619 668042811 /nfs/dbraw/zinc/04/28/11/668042811.db2.gz JVWRUTXDJVCUPY-UHFFFAOYSA-N 2 1 365.547 0.843 20 10 FCCDMP [NH3+][C@H](CC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1ccccc1O ZINC001219806133 1224625577 /nfs/dbraw/zinc/62/55/77/1224625577.db2.gz LABIGNGONXYKGF-CQSZACIVSA-N 2 1 357.414 0.149 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000841751016 1222828831 /nfs/dbraw/zinc/82/88/31/1222828831.db2.gz VCQDXCSNODJQMH-UHFFFAOYSA-N 2 1 361.490 0.998 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](N4CCNCC4=O)C3)cc2)CC1 ZINC000843065351 1222858669 /nfs/dbraw/zinc/85/86/69/1222858669.db2.gz LBJFBEYIIVZAEA-FQEVSTJZSA-N 2 1 371.529 0.835 20 10 FCCDMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001161539736 1223203973 /nfs/dbraw/zinc/20/39/73/1223203973.db2.gz LNMNAPBIRVZOGX-IBGZPJMESA-N 2 1 369.469 0.985 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355772 1245713488 /nfs/dbraw/zinc/71/34/88/1245713488.db2.gz NYPVGGPSBSVKLQ-QUCCMNQESA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355772 1245713496 /nfs/dbraw/zinc/71/34/96/1245713496.db2.gz NYPVGGPSBSVKLQ-QUCCMNQESA-N 2 1 362.518 0.849 20 10 FCCDMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001529196022 1267043847 /nfs/dbraw/zinc/04/38/47/1267043847.db2.gz QLPWNEAZWIOAKG-LZQZEXGQSA-N 2 1 359.518 0.860 20 10 FCCDMP C[NH2+][C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC001341592047 1269100307 /nfs/dbraw/zinc/10/03/07/1269100307.db2.gz HFVGVWAPUUOQMJ-GOSISDBHSA-N 2 1 356.474 0.749 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CN(S(C)(=O)=O)C3)cc2F)CC1 ZINC001343049104 1269746260 /nfs/dbraw/zinc/74/62/60/1269746260.db2.gz SKBCZHIVTAPZOA-UHFFFAOYSA-N 2 1 370.494 0.559 20 10 FCCDMP CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775696957 668226752 /nfs/dbraw/zinc/22/67/52/668226752.db2.gz RMHDBEFKLXJRCA-GOSISDBHSA-N 2 1 366.531 0.952 20 10 FCCDMP O=S1(=O)CCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000849326904 671328071 /nfs/dbraw/zinc/32/80/71/671328071.db2.gz LHBZTIFXXVRBJZ-SFHVURJKSA-N 2 1 367.515 0.468 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000891448524 1170568230 /nfs/dbraw/zinc/56/82/30/1170568230.db2.gz QJZMLQRGMCVFMT-IYBDPMFKSA-N 2 1 361.490 0.854 20 10 FCCDMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883298852 1210661386 /nfs/dbraw/zinc/66/13/86/1210661386.db2.gz DOVKXUWXRSNTPW-UHFFFAOYSA-N 2 1 363.506 0.816 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000754082409 1220103860 /nfs/dbraw/zinc/10/38/60/1220103860.db2.gz OXLRKTGKJDDKSA-IEBWSBKVSA-N 2 1 362.518 0.814 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000754082406 1220104198 /nfs/dbraw/zinc/10/41/98/1220104198.db2.gz OXLRKTGKJDDKSA-HKUYNNGSSA-N 2 1 362.518 0.814 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCc3c[nH+]cn3C)CC2)cc1 ZINC001120487972 1222093575 /nfs/dbraw/zinc/09/35/75/1222093575.db2.gz NBWUEKNHPIZSST-LJQANCHMSA-N 2 1 373.501 0.744 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](CC[NH3+])C3)CC2)cc1 ZINC000923480020 1245724568 /nfs/dbraw/zinc/72/45/68/1245724568.db2.gz TZEFPBQSXWFPAB-MJGOQNOKSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923515473 1245725114 /nfs/dbraw/zinc/72/51/14/1245725114.db2.gz VGIIANBQQWDSQW-ZHALLVOQSA-N 2 1 362.518 0.705 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000891447731 1170540085 /nfs/dbraw/zinc/54/00/85/1170540085.db2.gz COWIKKWCLVOJKM-JKSUJKDBSA-N 2 1 361.490 0.948 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000899104644 1194110084 /nfs/dbraw/zinc/11/00/84/1194110084.db2.gz RVPKPRXZNLOHFC-HKUYNNGSSA-N 2 1 363.506 0.721 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)[NH+](C)C)cc1 ZINC000899099354 1194110435 /nfs/dbraw/zinc/11/04/35/1194110435.db2.gz ZIZMKNLODZRVOH-QZTJIDSGSA-N 2 1 363.506 0.721 20 10 FCCDMP COc1cccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1O ZINC001275241510 1211200665 /nfs/dbraw/zinc/20/06/65/1211200665.db2.gz IRVSPNQFDFLLTC-LJQANCHMSA-N 2 1 363.458 0.766 20 10 FCCDMP CCOc1cccc(C[NH+]2CC3(C2)COCC(=O)N3CC[NH+](C)C)c1O ZINC001275244098 1211201429 /nfs/dbraw/zinc/20/14/29/1211201429.db2.gz BAYCEWHZTZMNSI-UHFFFAOYSA-N 2 1 363.458 0.766 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000829504288 1222439237 /nfs/dbraw/zinc/43/92/37/1222439237.db2.gz CVQSKMQDWVTEFP-UYAOXDASSA-N 2 1 358.486 0.933 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN(CC(N)=O)C(C)(C)C3)cc2)CC1 ZINC001139412355 1222549484 /nfs/dbraw/zinc/54/94/84/1222549484.db2.gz IDWOIJDYJKQSNV-UHFFFAOYSA-N 2 1 359.518 0.820 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000841750357 1222828888 /nfs/dbraw/zinc/82/88/88/1222828888.db2.gz PKSCTOQJEVOZCK-APWZRJJASA-N 2 1 373.501 0.821 20 10 FCCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047896 1222857372 /nfs/dbraw/zinc/85/73/72/1222857372.db2.gz AODIBCCJCUJIHW-INIZCTEOSA-N 2 1 364.465 0.949 20 10 FCCDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(O)cc3O)CC[C@@H]2C1 ZINC001204275200 1223301339 /nfs/dbraw/zinc/30/13/39/1223301339.db2.gz YYZULHZHIHXCQC-CRAIPNDOSA-N 2 1 363.458 0.709 20 10 FCCDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(O)cc3O)CC[C@@H]2C1 ZINC001204275200 1223301344 /nfs/dbraw/zinc/30/13/44/1223301344.db2.gz YYZULHZHIHXCQC-CRAIPNDOSA-N 2 1 363.458 0.709 20 10 FCCDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)CC[C@@H]2C1 ZINC001204275200 1223301347 /nfs/dbraw/zinc/30/13/47/1223301347.db2.gz YYZULHZHIHXCQC-CRAIPNDOSA-N 2 1 363.458 0.709 20 10 FCCDMP c1c(C[NH+]2CCNCC[NH2+]CCNCC2)cc2c3c1CCCN3CCC2 ZINC001235869595 1259582274 /nfs/dbraw/zinc/58/22/74/1259582274.db2.gz HCZYQZKTIDAPCD-UHFFFAOYSA-N 2 1 357.546 0.970 20 10 FCCDMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)CC1 ZINC001236622991 1259591180 /nfs/dbraw/zinc/59/11/80/1259591180.db2.gz REXDJHMFZRYYIO-LJQANCHMSA-N 3 1 359.518 0.799 20 10 FCCDMP C[NH2+]CCC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923379036 667829423 /nfs/dbraw/zinc/82/94/23/667829423.db2.gz NFSUJEGYWHVKNX-GOSISDBHSA-N 2 1 350.507 0.719 20 10 FCCDMP C[NH2+]CCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923379036 667829424 /nfs/dbraw/zinc/82/94/24/667829424.db2.gz NFSUJEGYWHVKNX-GOSISDBHSA-N 2 1 350.507 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000819308942 668996077 /nfs/dbraw/zinc/99/60/77/668996077.db2.gz GYTGHQYEKJBPLH-WMZOPIPTSA-N 2 1 350.507 0.718 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000819390922 669001085 /nfs/dbraw/zinc/00/10/85/669001085.db2.gz XFBUSOQIMKBSRJ-WMZOPIPTSA-N 2 1 350.507 0.718 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891245389 1169805439 /nfs/dbraw/zinc/80/54/39/1169805439.db2.gz DFPUJXWKJSCTJT-IBGZPJMESA-N 2 1 361.534 0.965 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000844217108 1204382583 /nfs/dbraw/zinc/38/25/83/1204382583.db2.gz CKVUNQRTJLMNAT-MRXNPFEDSA-N 2 1 361.490 0.156 20 10 FCCDMP CN1C[C@@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)OCC1=O ZINC001275563106 1211257780 /nfs/dbraw/zinc/25/77/80/1211257780.db2.gz CGSHFDVOETUYMC-HXUWFJFHSA-N 2 1 358.486 0.872 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000841750071 1222828733 /nfs/dbraw/zinc/82/87/33/1222828733.db2.gz LBGMMYXBDPZYPI-UHFFFAOYSA-N 2 1 361.490 0.868 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000923357964 1245713690 /nfs/dbraw/zinc/71/36/90/1245713690.db2.gz BVSZGZGJHDNTQJ-LMNJBCLMSA-N 2 1 374.529 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000923357964 1245713696 /nfs/dbraw/zinc/71/36/96/1245713696.db2.gz BVSZGZGJHDNTQJ-LMNJBCLMSA-N 2 1 374.529 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000923393563 1245714707 /nfs/dbraw/zinc/71/47/07/1245714707.db2.gz STZYFSYAPQBBMF-LMMKCTJWSA-N 2 1 362.518 0.990 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000923393563 1245714717 /nfs/dbraw/zinc/71/47/17/1245714717.db2.gz STZYFSYAPQBBMF-LMMKCTJWSA-N 2 1 362.518 0.990 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)CC2)cc1 ZINC000923413264 1245717689 /nfs/dbraw/zinc/71/76/89/1245717689.db2.gz VGIIANBQQWDSQW-LMMKCTJWSA-N 2 1 362.518 0.705 20 10 FCCDMP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850360942 671380767 /nfs/dbraw/zinc/38/07/67/671380767.db2.gz LDKASFLCUDTHDX-IAGOWNOFSA-N 2 1 353.488 0.340 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000899104649 1194110106 /nfs/dbraw/zinc/11/01/06/1194110106.db2.gz RVPKPRXZNLOHFC-IEBWSBKVSA-N 2 1 363.506 0.721 20 10 FCCDMP COc1ccc(N2CCN(CCCNC(=O)[C@H]([NH3+])CCC[NH3+])CC2)cc1 ZINC001219962665 1224703390 /nfs/dbraw/zinc/70/33/90/1224703390.db2.gz DTVUOARUNLRGPZ-GOSISDBHSA-N 2 1 363.506 0.390 20 10 FCCDMP COc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001275255114 1211202905 /nfs/dbraw/zinc/20/29/05/1211202905.db2.gz YTGAISZDSVPNCD-LJQANCHMSA-N 2 1 363.458 0.766 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000841749701 1222828784 /nfs/dbraw/zinc/82/87/84/1222828784.db2.gz HJIRPEGNJKYQDM-GOSISDBHSA-N 2 1 361.490 0.854 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841749083 1222828862 /nfs/dbraw/zinc/82/88/62/1222828862.db2.gz AAPQGRQXAMYOKS-SFHVURJKSA-N 2 1 361.490 0.854 20 10 FCCDMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285090 1245705438 /nfs/dbraw/zinc/70/54/38/1245705438.db2.gz AADGCSBEFXPURH-IEBWSBKVSA-N 2 1 362.518 0.719 20 10 FCCDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285090 1245705443 /nfs/dbraw/zinc/70/54/43/1245705443.db2.gz AADGCSBEFXPURH-IEBWSBKVSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000923333135 1245711690 /nfs/dbraw/zinc/71/16/90/1245711690.db2.gz URKKPUOHRQAHCE-LMMKCTJWSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000923393562 1245714315 /nfs/dbraw/zinc/71/43/15/1245714315.db2.gz STZYFSYAPQBBMF-AOIWGVFYSA-N 2 1 362.518 0.990 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000923393562 1245714325 /nfs/dbraw/zinc/71/43/25/1245714325.db2.gz STZYFSYAPQBBMF-AOIWGVFYSA-N 2 1 362.518 0.990 20 10 FCCDMP C[NH2+]C[C@H](C)CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001328714593 1265600237 /nfs/dbraw/zinc/60/02/37/1265600237.db2.gz UWAMXSCLUKRQLQ-INIZCTEOSA-N 2 1 363.506 0.972 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCN3CCNC(=O)C3)cc2F)CC1 ZINC001329939950 1265899880 /nfs/dbraw/zinc/89/98/80/1265899880.db2.gz JPUIUDVOZQRMQP-UHFFFAOYSA-N 2 1 363.481 0.489 20 10 FCCDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(OC)c1 ZINC001279351289 1260845718 /nfs/dbraw/zinc/84/57/18/1260845718.db2.gz FWOQYHBJQZXFKK-APWZRJJASA-N 2 1 365.474 0.856 20 10 FCCDMP COc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(O)cc1O ZINC001279299332 862816870 /nfs/dbraw/zinc/81/68/70/862816870.db2.gz LHUZHDLWMJBTLA-KSSFIOAISA-N 2 1 351.447 0.553 20 10 FCCDMP COc1ccc(N2CC[NH+](CCCNS(=O)(=O)CC[NH3+])CC2)cc1 ZINC001238379935 857470687 /nfs/dbraw/zinc/47/06/87/857470687.db2.gz VXZHNMPVZTWMQK-UHFFFAOYSA-N 2 1 356.492 0.085 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174721424 529780709 /nfs/dbraw/zinc/78/07/09/529780709.db2.gz GTBUGMCBFIYBRB-UHFFFAOYSA-N 2 1 361.534 0.938 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174721424 529780710 /nfs/dbraw/zinc/78/07/10/529780710.db2.gz GTBUGMCBFIYBRB-UHFFFAOYSA-N 2 1 361.534 0.938 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000775652783 668226182 /nfs/dbraw/zinc/22/61/82/668226182.db2.gz TZIBACBQEMKMBL-KRWDZBQOSA-N 2 1 366.531 0.952 20 10 FCCDMP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850360944 671380879 /nfs/dbraw/zinc/38/08/79/671380879.db2.gz LDKASFLCUDTHDX-SJORKVTESA-N 2 1 353.488 0.340 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000891447724 1170541457 /nfs/dbraw/zinc/54/14/57/1170541457.db2.gz COWIKKWCLVOJKM-CVEARBPZSA-N 2 1 361.490 0.948 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CC(=O)NC4CC4)CC3)cc2)CC1 ZINC000775644493 1208010928 /nfs/dbraw/zinc/01/09/28/1208010928.db2.gz LMHDPVNEWGXNQD-UHFFFAOYSA-N 2 1 371.529 0.835 20 10 FCCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)C1 ZINC000863551751 1209944963 /nfs/dbraw/zinc/94/49/63/1209944963.db2.gz QQRLTHKADMQWRU-MJGOQNOKSA-N 2 1 360.502 0.935 20 10 FCCDMP COC(=O)Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000883283466 1210659754 /nfs/dbraw/zinc/65/97/54/1210659754.db2.gz GVEWKVABEKLLJB-UHFFFAOYSA-N 2 1 358.446 0.493 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000758185014 1220201452 /nfs/dbraw/zinc/20/14/52/1220201452.db2.gz GZSPHNSOOHEGSP-IBGZPJMESA-N 2 1 362.518 0.816 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000829504285 1222439179 /nfs/dbraw/zinc/43/91/79/1222439179.db2.gz CVQSKMQDWVTEFP-AZUAARDMSA-N 2 1 358.486 0.933 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000841749907 1222828843 /nfs/dbraw/zinc/82/88/43/1222828843.db2.gz JQFVHJVCFYROCX-MRXNPFEDSA-N 2 1 361.490 0.807 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000923357965 1245712848 /nfs/dbraw/zinc/71/28/48/1245712848.db2.gz BVSZGZGJHDNTQJ-SLYNCCJLSA-N 2 1 374.529 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000923357965 1245712852 /nfs/dbraw/zinc/71/28/52/1245712852.db2.gz BVSZGZGJHDNTQJ-SLYNCCJLSA-N 2 1 374.529 0.862 20 10 FCCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc1OC ZINC001279673881 1260912203 /nfs/dbraw/zinc/91/22/03/1260912203.db2.gz LGMQGQMANZTTMJ-IYBDPMFKSA-N 2 1 365.474 0.856 20 10 FCCDMP CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117866430 847189662 /nfs/dbraw/zinc/18/96/62/847189662.db2.gz RRVFWEOYNIGSBW-UHFFFAOYSA-N 2 1 373.498 0.063 20 10 FCCDMP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1Cl ZINC001236310899 857438990 /nfs/dbraw/zinc/43/89/90/857438990.db2.gz DUCLQBQWPWKAPW-UHFFFAOYSA-N 2 1 358.870 0.670 20 10 FCCDMP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327973651 871164932 /nfs/dbraw/zinc/16/49/32/871164932.db2.gz XYTBTTAEYZHYQM-HNNXBMFYSA-N 2 1 372.510 0.995 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000829504287 1222439736 /nfs/dbraw/zinc/43/97/36/1222439736.db2.gz CVQSKMQDWVTEFP-QUCCMNQESA-N 2 1 358.486 0.933 20 10 FCCDMP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@H]23)CC1 ZINC001279968955 1260975674 /nfs/dbraw/zinc/97/56/74/1260975674.db2.gz RVPORALHZPRZNH-DOTOQJQBSA-N 2 1 358.442 0.789 20 10 FCCDMP CC(C)NS(=O)(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308257968 866709960 /nfs/dbraw/zinc/70/99/60/866709960.db2.gz ZRAITDGBJPLQAC-UHFFFAOYSA-N 2 1 372.510 0.995 20 10 FCCDMP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327973655 871164782 /nfs/dbraw/zinc/16/47/82/871164782.db2.gz XYTBTTAEYZHYQM-OAHLLOKOSA-N 2 1 372.510 0.995 20 10 FCCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000237269852 229275778 /nfs/dbraw/zinc/27/57/78/229275778.db2.gz WASUSKLDPLNHOX-SFHVURJKSA-N 2 1 362.474 0.312 20 10 FCCDMP COc1ccc(N2CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000863554576 672138774 /nfs/dbraw/zinc/13/87/74/672138774.db2.gz CJUMVUHCUOXFED-UHFFFAOYSA-N 2 1 350.463 0.251 20 10 FCCDMP COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC2)cc1 ZINC000863554576 672138776 /nfs/dbraw/zinc/13/87/76/672138776.db2.gz CJUMVUHCUOXFED-UHFFFAOYSA-N 2 1 350.463 0.251 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC000818940790 1203146293 /nfs/dbraw/zinc/14/62/93/1203146293.db2.gz GBADHPKPILMECU-IBGZPJMESA-N 2 1 362.518 0.862 20 10 FCCDMP Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3(C[NH3+])COC3)cc12 ZINC001184360997 1206468667 /nfs/dbraw/zinc/46/86/67/1206468667.db2.gz CBITUWCWXUTUQC-UHFFFAOYSA-N 2 1 361.398 0.083 20 10 FCCDMP CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CCN2C1=O ZINC000775735894 1208101056 /nfs/dbraw/zinc/10/10/56/1208101056.db2.gz DWFDQRNQGLSVBB-GOSISDBHSA-N 2 1 371.485 0.907 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000841750390 1222828948 /nfs/dbraw/zinc/82/89/48/1222828948.db2.gz PPKPWUHRYIUKNG-UHFFFAOYSA-N 2 1 361.490 0.822 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923290543 1245704653 /nfs/dbraw/zinc/70/46/53/1245704653.db2.gz YQOXBOASIQVZAE-QRFRQXIXSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923290543 1245704660 /nfs/dbraw/zinc/70/46/60/1245704660.db2.gz YQOXBOASIQVZAE-QRFRQXIXSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923281025 1245706101 /nfs/dbraw/zinc/70/61/01/1245706101.db2.gz NKQFQSZTEGSZFO-IEBWSBKVSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923281025 1245706109 /nfs/dbraw/zinc/70/61/09/1245706109.db2.gz NKQFQSZTEGSZFO-IEBWSBKVSA-N 2 1 362.518 0.849 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCNC3=S)cc2F)CC1 ZINC001308557986 866715893 /nfs/dbraw/zinc/71/58/93/866715893.db2.gz WTMOBNYTAWVBJO-UHFFFAOYSA-N 2 1 351.495 0.857 20 10 FCCDMP Nc1ccc2c(c1NC(=O)C[NH2+]CCC[NH3+])C(=O)c1ccccc1C2=O ZINC001219002066 1224282708 /nfs/dbraw/zinc/28/27/08/1224282708.db2.gz KLCWWJLQVPDLAG-UHFFFAOYSA-N 2 1 352.394 0.921 20 10 FCCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968527 1203147653 /nfs/dbraw/zinc/14/76/53/1203147653.db2.gz UDAAFCJUJJNREQ-APWZRJJASA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968527 1203147655 /nfs/dbraw/zinc/14/76/55/1203147655.db2.gz UDAAFCJUJJNREQ-APWZRJJASA-N 2 1 360.502 0.933 20 10 FCCDMP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)C1 ZINC000863551750 1209945131 /nfs/dbraw/zinc/94/51/31/1209945131.db2.gz QQRLTHKADMQWRU-IEBWSBKVSA-N 2 1 360.502 0.935 20 10 FCCDMP NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)C1 ZINC000863551749 1209945166 /nfs/dbraw/zinc/94/51/66/1209945166.db2.gz QQRLTHKADMQWRU-HKUYNNGSSA-N 2 1 360.502 0.935 20 10 FCCDMP C[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000881852126 1210603134 /nfs/dbraw/zinc/60/31/34/1210603134.db2.gz XAGKJDHUMODVOI-KRWDZBQOSA-N 2 1 359.518 0.691 20 10 FCCDMP C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889665561 1210944268 /nfs/dbraw/zinc/94/42/68/1210944268.db2.gz RCIFFBOOCKFPEM-LJQANCHMSA-N 2 1 361.490 0.304 20 10 FCCDMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c(O)c1 ZINC001275242157 1211200702 /nfs/dbraw/zinc/20/07/02/1211200702.db2.gz RFYIUQDSKNIDQV-LJQANCHMSA-N 2 1 363.458 0.766 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3C[C@H]([NH3+])C3(C)C)CC2)cc1 ZINC000923420921 1245718809 /nfs/dbraw/zinc/71/88/09/1245718809.db2.gz LKGYDVQDRZYFDA-NZSAHSFTSA-N 2 1 362.518 0.894 20 10 FCCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923517726 1245724612 /nfs/dbraw/zinc/72/46/12/1245724612.db2.gz QMUKMZXACHDXTP-DLBZAZTESA-N 2 1 358.486 0.885 20 10 FCCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923517726 1245724620 /nfs/dbraw/zinc/72/46/20/1245724620.db2.gz QMUKMZXACHDXTP-DLBZAZTESA-N 2 1 358.486 0.885 20 10 FCCDMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001529196021 1267043782 /nfs/dbraw/zinc/04/37/82/1267043782.db2.gz QLPWNEAZWIOAKG-AYOQOUSVSA-N 2 1 359.518 0.860 20 10 FCCDMP C[NH2+][C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC001341592049 1269099614 /nfs/dbraw/zinc/09/96/14/1269099614.db2.gz HFVGVWAPUUOQMJ-SFHVURJKSA-N 2 1 356.474 0.749 20 10 FCCDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)CC[C@@H]2C1 ZINC001144507900 849524159 /nfs/dbraw/zinc/52/41/59/849524159.db2.gz FFVKGQUGYNQMSW-FZKQIMNGSA-N 2 1 352.431 0.973 20 10 FCCDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@@H]2C1 ZINC001144507900 849524164 /nfs/dbraw/zinc/52/41/64/849524164.db2.gz FFVKGQUGYNQMSW-FZKQIMNGSA-N 2 1 352.431 0.973 20 10 FCCDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)CC[C@@H]2C1 ZINC001144507900 849524171 /nfs/dbraw/zinc/52/41/71/849524171.db2.gz FFVKGQUGYNQMSW-FZKQIMNGSA-N 2 1 352.431 0.973 20 10 FCCDMP COc1cc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(O)cc1O ZINC001279299030 862816956 /nfs/dbraw/zinc/81/69/56/862816956.db2.gz GXYVOLICVGHLMQ-GASCZTMLSA-N 2 1 351.447 0.553 20 10 FCCDMP COc1cc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c(O)cc1O ZINC001279299030 862816970 /nfs/dbraw/zinc/81/69/70/862816970.db2.gz GXYVOLICVGHLMQ-GASCZTMLSA-N 2 1 351.447 0.553 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000819308941 668996119 /nfs/dbraw/zinc/99/61/19/668996119.db2.gz GYTGHQYEKJBPLH-FUHWJXTLSA-N 2 1 350.507 0.718 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000891246766 1169806701 /nfs/dbraw/zinc/80/67/01/1169806701.db2.gz DDVITUBDTXGSCJ-RBUKOAKNSA-N 2 1 359.518 0.861 20 10 FCCDMP NC(=O)C1CCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000905483476 1195588990 /nfs/dbraw/zinc/58/89/90/1195588990.db2.gz ZEIWJSFZJNRXPH-IBGZPJMESA-N 2 1 360.502 0.935 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC(F)(F)C[NH3+])[NH+](C)C)cc1 ZINC000911306750 1195931796 /nfs/dbraw/zinc/93/17/96/1195931796.db2.gz PLYYWZNFXJUZQD-AWEZNQCLSA-N 2 1 371.432 0.182 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000881852443 1210603003 /nfs/dbraw/zinc/60/30/03/1210603003.db2.gz QDDIDBYOHPLRQK-LJQANCHMSA-N 2 1 357.502 0.445 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000931888994 1211781098 /nfs/dbraw/zinc/78/10/98/1211781098.db2.gz AJQCDKAGEWFLNI-SJORKVTESA-N 2 1 361.490 0.292 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)[NH+](C)C)cc1 ZINC000931888994 1211781101 /nfs/dbraw/zinc/78/11/01/1211781101.db2.gz AJQCDKAGEWFLNI-SJORKVTESA-N 2 1 361.490 0.292 20 10 FCCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)COC[C@H]4C3)cc2)CC1 ZINC001140306050 1222584472 /nfs/dbraw/zinc/58/44/72/1222584472.db2.gz MHJWNCMIPSICAE-LJQANCHMSA-N 2 1 358.486 0.872 20 10 FCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)COC[C@H]4C3)cc2)CC1 ZINC001140306050 1222584475 /nfs/dbraw/zinc/58/44/75/1222584475.db2.gz MHJWNCMIPSICAE-LJQANCHMSA-N 2 1 358.486 0.872 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000923393565 1245714943 /nfs/dbraw/zinc/71/49/43/1245714943.db2.gz STZYFSYAPQBBMF-SCTDSRPQSA-N 2 1 362.518 0.990 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000923393565 1245714948 /nfs/dbraw/zinc/71/49/48/1245714948.db2.gz STZYFSYAPQBBMF-SCTDSRPQSA-N 2 1 362.518 0.990 20 10 FCCDMP O=C(C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1)N1CCNCC1 ZINC001235301692 1259569172 /nfs/dbraw/zinc/56/91/72/1259569172.db2.gz YRILDAVCIFFKNK-UHFFFAOYSA-N 2 1 371.529 0.740 20 10 FCCDMP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]2N1 ZINC001235281691 1259569504 /nfs/dbraw/zinc/56/95/04/1259569504.db2.gz FPWFANKCFLNNRO-NXHRZFHOSA-N 2 1 374.485 0.527 20 10 FCCDMP CN1CCOc2cc(C[N@H+]3C[C@@H]4OCCN(CC[NH+](C)C)[C@H]4C3)ccc21 ZINC001278746520 1260723863 /nfs/dbraw/zinc/72/38/63/1260723863.db2.gz QRJHYVIQBAPMOI-ICSRJNTNSA-N 2 1 360.502 0.962 20 10 FCCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c(OC)c1 ZINC001279351290 1260845794 /nfs/dbraw/zinc/84/57/94/1260845794.db2.gz FWOQYHBJQZXFKK-LPHOPBHVSA-N 2 1 365.474 0.856 20 10 FCCDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)CC[C@@H]2C1 ZINC001233484707 857386259 /nfs/dbraw/zinc/38/62/59/857386259.db2.gz USIVUECGEWSOSO-FZKQIMNGSA-N 2 1 352.431 0.973 20 10 FCCDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)CC[C@@H]2C1 ZINC001233484707 857386265 /nfs/dbraw/zinc/38/62/65/857386265.db2.gz USIVUECGEWSOSO-FZKQIMNGSA-N 2 1 352.431 0.973 20 10 FCCDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)CC[C@@H]2C1 ZINC001233484707 857386268 /nfs/dbraw/zinc/38/62/68/857386268.db2.gz USIVUECGEWSOSO-FZKQIMNGSA-N 2 1 352.431 0.973 20 10 FCCDMP CN(CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)S(C)(=O)=O ZINC001350296923 866557630 /nfs/dbraw/zinc/55/76/30/866557630.db2.gz KUGWIGHXCYWICT-UHFFFAOYSA-N 2 1 372.510 0.949 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000785979019 668739613 /nfs/dbraw/zinc/73/96/13/668739613.db2.gz KRKIMBDYNROHRS-KRWDZBQOSA-N 2 1 352.504 0.691 20 10 FCCDMP O=S1(=O)CCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000849326903 671328055 /nfs/dbraw/zinc/32/80/55/671328055.db2.gz LHBZTIFXXVRBJZ-GOSISDBHSA-N 2 1 367.515 0.468 20 10 FCCDMP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000882662142 673333205 /nfs/dbraw/zinc/33/32/05/673333205.db2.gz BMPJQFVMDIHBGT-UHFFFAOYSA-N 2 1 366.531 0.952 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000285895337 1180564338 /nfs/dbraw/zinc/56/43/38/1180564338.db2.gz CQZIOTSZNLAELV-INIZCTEOSA-N 2 1 362.474 0.312 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852873208 1209571412 /nfs/dbraw/zinc/57/14/12/1209571412.db2.gz QPTTUUJPMRSCMX-MSOLQXFVSA-N 2 1 362.474 0.297 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852873213 1209571875 /nfs/dbraw/zinc/57/18/75/1209571875.db2.gz QPTTUUJPMRSCMX-ROUUACIJSA-N 2 1 362.474 0.297 20 10 FCCDMP NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)C1 ZINC000863551752 1209945084 /nfs/dbraw/zinc/94/50/84/1209945084.db2.gz QQRLTHKADMQWRU-PKOBYXMFSA-N 2 1 360.502 0.935 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000841749702 1222828900 /nfs/dbraw/zinc/82/89/00/1222828900.db2.gz HJIRPEGNJKYQDM-SFHVURJKSA-N 2 1 361.490 0.854 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000841749859 1222828918 /nfs/dbraw/zinc/82/89/18/1222828918.db2.gz IJBGLCYRSWPCAZ-QGZVFWFLSA-N 2 1 361.490 0.950 20 10 FCCDMP CN1CCN(c2ccc(CNC(=O)/C=C/CN3CCOCC3)cc2)CC1 ZINC000918846284 1245585106 /nfs/dbraw/zinc/58/51/06/1245585106.db2.gz RDGWCHIBKDLXJO-NSCUHMNNSA-N 2 1 358.486 0.943 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923281021 1245705253 /nfs/dbraw/zinc/70/52/53/1245705253.db2.gz NKQFQSZTEGSZFO-HKUYNNGSSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923281021 1245705258 /nfs/dbraw/zinc/70/52/58/1245705258.db2.gz NKQFQSZTEGSZFO-HKUYNNGSSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923281255 1245705740 /nfs/dbraw/zinc/70/57/40/1245705740.db2.gz NKQFQSZTEGSZFO-PKOBYXMFSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923281255 1245705747 /nfs/dbraw/zinc/70/57/47/1245705747.db2.gz NKQFQSZTEGSZFO-PKOBYXMFSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000923290541 1245705776 /nfs/dbraw/zinc/70/57/76/1245705776.db2.gz YQOXBOASIQVZAE-IMFGXOCKSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000923290541 1245705785 /nfs/dbraw/zinc/70/57/85/1245705785.db2.gz YQOXBOASIQVZAE-IMFGXOCKSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000923333137 1245710758 /nfs/dbraw/zinc/71/07/58/1245710758.db2.gz URKKPUOHRQAHCE-LNLFQRSKSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1 ZINC000923420916 1245719084 /nfs/dbraw/zinc/71/90/84/1245719084.db2.gz LKGYDVQDRZYFDA-BHIYHBOVSA-N 2 1 362.518 0.894 20 10 FCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001235199098 1259569675 /nfs/dbraw/zinc/56/96/75/1259569675.db2.gz GDZMEPFCAGLSMN-FQEVSTJZSA-N 2 1 360.502 0.677 20 10 FCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCO[C@@]2(CNCCOC2)C1 ZINC001235199098 1259569681 /nfs/dbraw/zinc/56/96/81/1259569681.db2.gz GDZMEPFCAGLSMN-FQEVSTJZSA-N 2 1 360.502 0.677 20 10 FCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235366540 1259571195 /nfs/dbraw/zinc/57/11/95/1259571195.db2.gz FIJONKFUPLVOCO-YVWKXTFCSA-N 3 1 358.486 0.755 20 10 FCCDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cc(O)c(O)c(OC)c3)C[C@H]1C2 ZINC001236021609 1259585804 /nfs/dbraw/zinc/58/58/04/1259585804.db2.gz FZCALYLLTKNYDD-QJNYJZHLSA-N 2 1 362.426 0.937 20 10 FCCDMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001529196023 1267042979 /nfs/dbraw/zinc/04/29/79/1267042979.db2.gz QLPWNEAZWIOAKG-MNEFBYGVSA-N 2 1 359.518 0.860 20 10 FCCDMP O=S1(=O)CCN(c2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001234988853 857416663 /nfs/dbraw/zinc/41/66/63/857416663.db2.gz KBEHXSVBLBOLPR-SFHVURJKSA-N 2 1 364.515 0.059 20 10 FCCDMP CNS(=O)(=O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331891868 873293926 /nfs/dbraw/zinc/29/39/26/873293926.db2.gz JASLSMIESAFLGU-UHFFFAOYSA-N 2 1 358.483 0.606 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)cc2)CC1 ZINC000897060189 665142037 /nfs/dbraw/zinc/14/20/37/665142037.db2.gz FMWNZSJULWLCRP-MRXNPFEDSA-N 2 1 352.504 0.549 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000775647939 668225395 /nfs/dbraw/zinc/22/53/95/668225395.db2.gz IODAKGLMJZXVJR-UHFFFAOYSA-N 2 1 366.531 0.906 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000775647939 668225402 /nfs/dbraw/zinc/22/54/02/668225402.db2.gz IODAKGLMJZXVJR-UHFFFAOYSA-N 2 1 366.531 0.906 20 10 FCCDMP COc1c(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047924 670770316 /nfs/dbraw/zinc/77/03/16/670770316.db2.gz BVNYCQZHAOYNSQ-LBPRGKRZSA-N 2 1 352.391 0.596 20 10 FCCDMP COc1c(O)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047924 670770320 /nfs/dbraw/zinc/77/03/20/670770320.db2.gz BVNYCQZHAOYNSQ-LBPRGKRZSA-N 2 1 352.391 0.596 20 10 FCCDMP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850360941 671380690 /nfs/dbraw/zinc/38/06/90/671380690.db2.gz LDKASFLCUDTHDX-DLBZAZTESA-N 2 1 353.488 0.340 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000891448588 1170565265 /nfs/dbraw/zinc/56/52/65/1170565265.db2.gz RLGMHCMJPDQERQ-RDJZCZTQSA-N 2 1 359.474 0.573 20 10 FCCDMP CN1C[C@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)OCC1=O ZINC001275563104 1211257979 /nfs/dbraw/zinc/25/79/79/1211257979.db2.gz CGSHFDVOETUYMC-FQEVSTJZSA-N 2 1 358.486 0.872 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH2+]CCc3c[nH+]cn3C)CC2)cc1 ZINC001120487971 1222093720 /nfs/dbraw/zinc/09/37/20/1222093720.db2.gz NBWUEKNHPIZSST-IBGZPJMESA-N 2 1 373.501 0.744 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000831017860 1222489401 /nfs/dbraw/zinc/48/94/01/1222489401.db2.gz LTQUDSYOJDDJIW-IBGZPJMESA-N 2 1 361.490 0.868 20 10 FCCDMP COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000840956573 1222803710 /nfs/dbraw/zinc/80/37/10/1222803710.db2.gz AARXOPQQCSATPU-GOSISDBHSA-N 2 1 360.502 0.975 20 10 FCCDMP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+](C)C1 ZINC000840956573 1222803711 /nfs/dbraw/zinc/80/37/11/1222803711.db2.gz AARXOPQQCSATPU-GOSISDBHSA-N 2 1 360.502 0.975 20 10 FCCDMP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+](C)C1 ZINC000840956573 1222803714 /nfs/dbraw/zinc/80/37/14/1222803714.db2.gz AARXOPQQCSATPU-GOSISDBHSA-N 2 1 360.502 0.975 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000891448526 1170569110 /nfs/dbraw/zinc/56/91/10/1170569110.db2.gz QJZMLQRGMCVFMT-WKILWMFISA-N 2 1 361.490 0.854 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000931888990 1211780769 /nfs/dbraw/zinc/78/07/69/1211780769.db2.gz AJQCDKAGEWFLNI-DLBZAZTESA-N 2 1 361.490 0.292 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[NH+](C)C)cc1 ZINC000931888990 1211780770 /nfs/dbraw/zinc/78/07/70/1211780770.db2.gz AJQCDKAGEWFLNI-DLBZAZTESA-N 2 1 361.490 0.292 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000758185015 1220202093 /nfs/dbraw/zinc/20/20/93/1220202093.db2.gz GZSPHNSOOHEGSP-LJQANCHMSA-N 2 1 362.518 0.816 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000841749949 1222829025 /nfs/dbraw/zinc/82/90/25/1222829025.db2.gz KNDUSDMHGOOACN-MRXNPFEDSA-N 2 1 361.490 0.950 20 10 FCCDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285085 1245705389 /nfs/dbraw/zinc/70/53/89/1245705389.db2.gz AADGCSBEFXPURH-HKUYNNGSSA-N 2 1 362.518 0.719 20 10 FCCDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285085 1245705393 /nfs/dbraw/zinc/70/53/93/1245705393.db2.gz AADGCSBEFXPURH-HKUYNNGSSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355770 1245712265 /nfs/dbraw/zinc/71/22/65/1245712265.db2.gz NYPVGGPSBSVKLQ-AZUAARDMSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000923355770 1245712272 /nfs/dbraw/zinc/71/22/72/1245712272.db2.gz NYPVGGPSBSVKLQ-AZUAARDMSA-N 2 1 362.518 0.849 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923516198 1245724455 /nfs/dbraw/zinc/72/44/55/1245724455.db2.gz UVAHQUHDZUXNIV-NSHGMRRFSA-N 2 1 374.529 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000923516198 1245724461 /nfs/dbraw/zinc/72/44/61/1245724461.db2.gz UVAHQUHDZUXNIV-NSHGMRRFSA-N 2 1 374.529 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](CCCNC(=O)CNCCC[NH3+])CC2)cc1 ZINC001219962662 1224703573 /nfs/dbraw/zinc/70/35/73/1224703573.db2.gz DRXWNINDZFTZOZ-UHFFFAOYSA-N 2 1 363.506 0.262 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNCC[N@H+](C)C3CC3)CC2)cc1 ZINC000818974476 1203148540 /nfs/dbraw/zinc/14/85/40/1203148540.db2.gz ATBAUGNRYMUQSD-IBGZPJMESA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000818974476 1203148545 /nfs/dbraw/zinc/14/85/45/1203148545.db2.gz ATBAUGNRYMUQSD-IBGZPJMESA-N 2 1 362.518 0.862 20 10 FCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000775712866 1208079834 /nfs/dbraw/zinc/07/98/34/1208079834.db2.gz KLTHSQVIRQXEOP-FQEVSTJZSA-N 2 1 362.518 0.563 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000852873211 1209571459 /nfs/dbraw/zinc/57/14/59/1209571459.db2.gz QPTTUUJPMRSCMX-QZTJIDSGSA-N 2 1 362.474 0.297 20 10 FCCDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877017499 1210437146 /nfs/dbraw/zinc/43/71/46/1210437146.db2.gz PKIAIVNCRNXFOA-UHFFFAOYSA-N 2 1 360.502 0.901 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000754013605 1220102059 /nfs/dbraw/zinc/10/20/59/1220102059.db2.gz KXUMTQDVHZTSLL-LMMKCTJWSA-N 2 1 360.502 0.329 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000841751027 1222828714 /nfs/dbraw/zinc/82/87/14/1222828714.db2.gz VEMPVCQGFSSZEN-UHFFFAOYSA-N 2 1 361.490 0.868 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000923280652 1245703660 /nfs/dbraw/zinc/70/36/60/1245703660.db2.gz ZFJMWVYXISWKGS-LJQANCHMSA-N 2 1 362.518 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C3CC[NH2+]CC3)CC2)cc1 ZINC000923280652 1245703661 /nfs/dbraw/zinc/70/36/61/1245703661.db2.gz ZFJMWVYXISWKGS-LJQANCHMSA-N 2 1 362.518 0.862 20 10 FCCDMP CN1CCOc2cc(C[N@@H+]3C[C@@H]4[C@H](C3)OCCN4CC[NH+](C)C)ccc21 ZINC001278746521 1260723847 /nfs/dbraw/zinc/72/38/47/1260723847.db2.gz QRJHYVIQBAPMOI-QUCCMNQESA-N 2 1 360.502 0.962 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c(O)cccc3F)C2)OCC1=O ZINC001276030990 861293736 /nfs/dbraw/zinc/29/37/36/861293736.db2.gz CRUCKYKVYHEBER-SFHVURJKSA-N 2 1 351.422 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3c(O)cccc3F)C2)OCC1=O ZINC001276030990 861293746 /nfs/dbraw/zinc/29/37/46/861293746.db2.gz CRUCKYKVYHEBER-SFHVURJKSA-N 2 1 351.422 0.896 20 10 FCCDMP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775734262 668228615 /nfs/dbraw/zinc/22/86/15/668228615.db2.gz NBNMFIPKYBDOTI-SFHVURJKSA-N 2 1 366.531 0.952 20 10 FCCDMP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775741198 668229024 /nfs/dbraw/zinc/22/90/24/668229024.db2.gz YIDAOAILAALQRX-KRWDZBQOSA-N 2 1 352.504 0.562 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](C[NH3+])OC)CC2)cc1 ZINC000829505974 669705197 /nfs/dbraw/zinc/70/51/97/669705197.db2.gz PPWWZAFSEFHIQI-KRWDZBQOSA-N 2 1 350.463 0.297 20 10 FCCDMP NC(=O)C1CCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000905483477 1195589381 /nfs/dbraw/zinc/58/93/81/1195589381.db2.gz ZEIWJSFZJNRXPH-LJQANCHMSA-N 2 1 360.502 0.935 20 10 FCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000844224470 1204379364 /nfs/dbraw/zinc/37/93/64/1204379364.db2.gz FQUBHTFAXNFWRJ-LJQANCHMSA-N 2 1 359.518 0.691 20 10 FCCDMP COc1cc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)cc(C[NH+](C)C)c1O ZINC001275480602 1211248829 /nfs/dbraw/zinc/24/88/29/1211248829.db2.gz CRMDPYWQOCVESF-IBGZPJMESA-N 2 1 363.458 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001275671380 1211271304 /nfs/dbraw/zinc/27/13/04/1211271304.db2.gz FBXIYWFPFVXIGH-IBGZPJMESA-N 2 1 363.458 0.710 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(c4ncncn4)CC3)cc2)CC1 ZINC001139411057 1222549669 /nfs/dbraw/zinc/54/96/69/1222549669.db2.gz SDILTFLSZPPSPY-UHFFFAOYSA-N 2 1 353.474 0.946 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841751472 1222828963 /nfs/dbraw/zinc/82/89/63/1222828963.db2.gz ZEVNTEMXTPUFJI-MRXNPFEDSA-N 2 1 361.490 0.868 20 10 FCCDMP C[NH2+][C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000841750060 1222829039 /nfs/dbraw/zinc/82/90/39/1222829039.db2.gz KWVXXRCOTZECFF-INIZCTEOSA-N 2 1 361.490 0.821 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332754 1245708308 /nfs/dbraw/zinc/70/83/08/1245708308.db2.gz WOZVJOJRWKPRTA-CTNGQTDRSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332754 1245708317 /nfs/dbraw/zinc/70/83/17/1245708317.db2.gz WOZVJOJRWKPRTA-CTNGQTDRSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000923333140 1245711243 /nfs/dbraw/zinc/71/12/43/1245711243.db2.gz URKKPUOHRQAHCE-SCTDSRPQSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCC(C)([NH3+])CC3)CC2)cc1 ZINC000923345682 1245711478 /nfs/dbraw/zinc/71/14/78/1245711478.db2.gz LSGZEYBUNZTZSO-SFHVURJKSA-N 2 1 362.518 0.991 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3C[C@H]([NH3+])C3(C)C)CC2)cc1 ZINC000923420919 1245718671 /nfs/dbraw/zinc/71/86/71/1245718671.db2.gz LKGYDVQDRZYFDA-NEWSRXKRSA-N 2 1 362.518 0.894 20 10 FCCDMP O=C1CCC[C@@]2(CNCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184114 1259567082 /nfs/dbraw/zinc/56/70/82/1259567082.db2.gz LHBSMEAASBEPJC-FQEVSTJZSA-N 2 1 373.501 0.246 20 10 FCCDMP O=C1CCC[C@@]2(CNCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)N1 ZINC001235184114 1259567085 /nfs/dbraw/zinc/56/70/85/1259567085.db2.gz LHBSMEAASBEPJC-FQEVSTJZSA-N 2 1 373.501 0.246 20 10 FCCDMP OC1CCN(c2ccc(C[NH+]3CCNCC[NH2+]CCNCC3)cc2)CC1 ZINC001235871338 1259582238 /nfs/dbraw/zinc/58/22/38/1259582238.db2.gz SOEIGCQRYHGNBF-UHFFFAOYSA-N 2 1 361.534 0.232 20 10 FCCDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3cc(OC)c(O)cc3O)C[C@H]1C2 ZINC001236031266 1259587469 /nfs/dbraw/zinc/58/74/69/1259587469.db2.gz SQFBFQDNGLVFLS-QJNYJZHLSA-N 2 1 362.426 0.937 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCn3cc(CO)nn3)cc2F)CC1 ZINC001343503912 1269929771 /nfs/dbraw/zinc/92/97/71/1269929771.db2.gz SHMCCIQTSLEMRW-UHFFFAOYSA-N 2 1 362.453 0.841 20 10 FCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC001205248979 853602232 /nfs/dbraw/zinc/60/22/32/853602232.db2.gz VBAINFINEFDKFY-SFHVURJKSA-N 2 1 367.515 0.597 20 10 FCCDMP COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c(O)cc1O ZINC001279299331 862816925 /nfs/dbraw/zinc/81/69/25/862816925.db2.gz LHUZHDLWMJBTLA-KDOFPFPSSA-N 2 1 351.447 0.553 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001356535876 868020303 /nfs/dbraw/zinc/02/03/03/868020303.db2.gz XFBUSOQIMKBSRJ-AEFFLSMTSA-N 2 1 350.507 0.718 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000819390919 669001125 /nfs/dbraw/zinc/00/11/25/669001125.db2.gz XFBUSOQIMKBSRJ-FUHWJXTLSA-N 2 1 350.507 0.718 20 10 FCCDMP C[N@@H+](C[C@@H](O)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483514 1195589416 /nfs/dbraw/zinc/58/94/16/1195589416.db2.gz ZTYDWCTVVHIJNI-IBGZPJMESA-N 2 1 360.502 0.933 20 10 FCCDMP CN(C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483514 1195589419 /nfs/dbraw/zinc/58/94/19/1195589419.db2.gz ZTYDWCTVVHIJNI-IBGZPJMESA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483514 1195589423 /nfs/dbraw/zinc/58/94/23/1195589423.db2.gz ZTYDWCTVVHIJNI-IBGZPJMESA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000905483514 1195589427 /nfs/dbraw/zinc/58/94/27/1195589427.db2.gz ZTYDWCTVVHIJNI-IBGZPJMESA-N 2 1 360.502 0.933 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000844225829 1204379521 /nfs/dbraw/zinc/37/95/21/1204379521.db2.gz HGCLGFVEUHKIAD-SFHVURJKSA-N 2 1 371.489 0.756 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000844225829 1204379525 /nfs/dbraw/zinc/37/95/25/1204379525.db2.gz HGCLGFVEUHKIAD-SFHVURJKSA-N 2 1 371.489 0.756 20 10 FCCDMP COc1ccc(N2CCN(CC[NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000863552217 1209945193 /nfs/dbraw/zinc/94/51/93/1209945193.db2.gz WLNODIAROBNTCF-IBGZPJMESA-N 2 1 362.518 0.864 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000831017863 1222489443 /nfs/dbraw/zinc/48/94/43/1222489443.db2.gz LTQUDSYOJDDJIW-LJQANCHMSA-N 2 1 361.490 0.868 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000843048128 1222857318 /nfs/dbraw/zinc/85/73/18/1222857318.db2.gz OKMUHUVKZWMHBA-GOSISDBHSA-N 3 1 359.518 0.725 20 10 FCCDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000843048128 1222857321 /nfs/dbraw/zinc/85/73/21/1222857321.db2.gz OKMUHUVKZWMHBA-GOSISDBHSA-N 2 1 359.518 0.725 20 10 FCCDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000843048128 1222857322 /nfs/dbraw/zinc/85/73/22/1222857322.db2.gz OKMUHUVKZWMHBA-GOSISDBHSA-N 2 1 359.518 0.725 20 10 FCCDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285095 1245704960 /nfs/dbraw/zinc/70/49/60/1245704960.db2.gz AADGCSBEFXPURH-PKOBYXMFSA-N 2 1 362.518 0.719 20 10 FCCDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923285095 1245704967 /nfs/dbraw/zinc/70/49/67/1245704967.db2.gz AADGCSBEFXPURH-PKOBYXMFSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1 ZINC000923420923 1245719123 /nfs/dbraw/zinc/71/91/23/1245719123.db2.gz LKGYDVQDRZYFDA-QRQLOZEOSA-N 2 1 362.518 0.894 20 10 FCCDMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C2)CC1 ZINC001236622987 1259591211 /nfs/dbraw/zinc/59/12/11/1259591211.db2.gz REXDJHMFZRYYIO-IBGZPJMESA-N 3 1 359.518 0.799 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395132 1259642616 /nfs/dbraw/zinc/64/26/16/1259642616.db2.gz QBEJPHHNALXHAV-HKUYNNGSSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001335395132 1259642629 /nfs/dbraw/zinc/64/26/29/1259642629.db2.gz QBEJPHHNALXHAV-HKUYNNGSSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395132 1259642642 /nfs/dbraw/zinc/64/26/42/1259642642.db2.gz QBEJPHHNALXHAV-HKUYNNGSSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000285895341 1180566190 /nfs/dbraw/zinc/56/61/90/1180566190.db2.gz CQZIOTSZNLAELV-MRXNPFEDSA-N 2 1 362.474 0.312 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000899104654 1194109835 /nfs/dbraw/zinc/10/98/35/1194109835.db2.gz RVPKPRXZNLOHFC-MJGOQNOKSA-N 2 1 363.506 0.721 20 10 FCCDMP C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889665560 1210943895 /nfs/dbraw/zinc/94/38/95/1210943895.db2.gz RCIFFBOOCKFPEM-IBGZPJMESA-N 2 1 361.490 0.304 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395136 1259642171 /nfs/dbraw/zinc/64/21/71/1259642171.db2.gz QBEJPHHNALXHAV-MJGOQNOKSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001335395136 1259642182 /nfs/dbraw/zinc/64/21/82/1259642182.db2.gz QBEJPHHNALXHAV-MJGOQNOKSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001335395136 1259642187 /nfs/dbraw/zinc/64/21/87/1259642187.db2.gz QBEJPHHNALXHAV-MJGOQNOKSA-N 2 1 362.518 0.719 20 10 FCCDMP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000237270122 229275716 /nfs/dbraw/zinc/27/57/16/229275716.db2.gz WASUSKLDPLNHOX-GOSISDBHSA-N 2 1 362.474 0.312 20 10 FCCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968529 1203147848 /nfs/dbraw/zinc/14/78/48/1203147848.db2.gz UDAAFCJUJJNREQ-QFBILLFUSA-N 2 1 360.502 0.933 20 10 FCCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000818968529 1203147853 /nfs/dbraw/zinc/14/78/53/1203147853.db2.gz UDAAFCJUJJNREQ-QFBILLFUSA-N 2 1 360.502 0.933 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275580084 1211260076 /nfs/dbraw/zinc/26/00/76/1211260076.db2.gz UETVUJXPDZFHSX-LJQANCHMSA-N 2 1 363.458 0.710 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275580084 1211260079 /nfs/dbraw/zinc/26/00/79/1211260079.db2.gz UETVUJXPDZFHSX-LJQANCHMSA-N 2 1 363.458 0.710 20 10 FCCDMP O=C1NCC[C@@]12C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC21C[NH2+]C1 ZINC001222520308 1225630542 /nfs/dbraw/zinc/63/05/42/1225630542.db2.gz FHIGNFNGPQAECC-HXUWFJFHSA-N 3 1 355.486 0.008 20 10 FCCDMP O=C1NCC[C@@]12CN(Cc1ccc(N3CC[NH2+]CC3)cc1)CC21C[NH2+]C1 ZINC001222520308 1225630544 /nfs/dbraw/zinc/63/05/44/1225630544.db2.gz FHIGNFNGPQAECC-HXUWFJFHSA-N 2 1 355.486 0.008 20 10 FCCDMP CN1CCN(c2ccc(CNC(=O)/C=C\CN3CCOCC3)cc2)CC1 ZINC000918846282 1245586048 /nfs/dbraw/zinc/58/60/48/1245586048.db2.gz RDGWCHIBKDLXJO-IHWYPQMZSA-N 2 1 358.486 0.943 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](CC[NH3+])C3)CC2)cc1 ZINC000923480016 1245724786 /nfs/dbraw/zinc/72/47/86/1245724786.db2.gz TZEFPBQSXWFPAB-HKUYNNGSSA-N 2 1 362.518 0.849 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)OCC1=O ZINC001276064048 861308373 /nfs/dbraw/zinc/30/83/73/861308373.db2.gz PKKSPRKWQDGLNT-GOSISDBHSA-N 2 1 351.422 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)OCC1=O ZINC001276064050 861309026 /nfs/dbraw/zinc/30/90/26/861309026.db2.gz PKKSPRKWQDGLNT-SFHVURJKSA-N 2 1 351.422 0.896 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000269294779 488488095 /nfs/dbraw/zinc/48/80/95/488488095.db2.gz NAQMDZATMHTYKT-GOSISDBHSA-N 2 1 362.474 0.312 20 10 FCCDMP CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779610069 668431096 /nfs/dbraw/zinc/43/10/96/668431096.db2.gz XZCMEFWVSHNPBV-GOSISDBHSA-N 2 1 366.531 0.952 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000844225828 1204379883 /nfs/dbraw/zinc/37/98/83/1204379883.db2.gz HGCLGFVEUHKIAD-GOSISDBHSA-N 2 1 371.489 0.756 20 10 FCCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000844225828 1204379888 /nfs/dbraw/zinc/37/98/88/1204379888.db2.gz HGCLGFVEUHKIAD-GOSISDBHSA-N 2 1 371.489 0.756 20 10 FCCDMP COc1cc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)cc(C[NH+](C)C)c1O ZINC001275480604 1211249044 /nfs/dbraw/zinc/24/90/44/1211249044.db2.gz CRMDPYWQOCVESF-LJQANCHMSA-N 2 1 363.458 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001275671381 1211271671 /nfs/dbraw/zinc/27/16/71/1211271671.db2.gz FBXIYWFPFVXIGH-LJQANCHMSA-N 2 1 363.458 0.710 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000754082415 1220104250 /nfs/dbraw/zinc/10/42/50/1220104250.db2.gz OXLRKTGKJDDKSA-PKOBYXMFSA-N 2 1 362.518 0.814 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)cc1 ZINC000831729513 1222505593 /nfs/dbraw/zinc/50/55/93/1222505593.db2.gz WCSIKYVVHMEOGV-FBBABVLZSA-N 2 1 374.529 0.814 20 10 FCCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)COC[C@@H]4C3)cc2)CC1 ZINC001140306049 1222584549 /nfs/dbraw/zinc/58/45/49/1222584549.db2.gz MHJWNCMIPSICAE-IBGZPJMESA-N 2 1 358.486 0.872 20 10 FCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)COC[C@@H]4C3)cc2)CC1 ZINC001140306049 1222584553 /nfs/dbraw/zinc/58/45/53/1222584553.db2.gz MHJWNCMIPSICAE-IBGZPJMESA-N 2 1 358.486 0.872 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000923290542 1245704574 /nfs/dbraw/zinc/70/45/74/1245704574.db2.gz YQOXBOASIQVZAE-KPFFTGBYSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000923290542 1245704584 /nfs/dbraw/zinc/70/45/84/1245704584.db2.gz YQOXBOASIQVZAE-KPFFTGBYSA-N 2 1 362.518 0.847 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000923393564 1245714824 /nfs/dbraw/zinc/71/48/24/1245714824.db2.gz STZYFSYAPQBBMF-LNLFQRSKSA-N 2 1 362.518 0.990 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000923393564 1245714831 /nfs/dbraw/zinc/71/48/31/1245714831.db2.gz STZYFSYAPQBBMF-LNLFQRSKSA-N 2 1 362.518 0.990 20 10 FCCDMP CN1C(=O)[C@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C[C@H]2C1=O ZINC001336757773 1260216042 /nfs/dbraw/zinc/21/60/42/1260216042.db2.gz KTUZLTKFUMIYQM-GASCZTMLSA-N 2 1 360.433 0.624 20 10 FCCDMP CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C[C@H]2C1=O ZINC001336757773 1260216049 /nfs/dbraw/zinc/21/60/49/1260216049.db2.gz KTUZLTKFUMIYQM-GASCZTMLSA-N 2 1 360.433 0.624 20 10 FCCDMP COc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]23)c(O)cc1O ZINC001279299828 1260828762 /nfs/dbraw/zinc/82/87/62/1260828762.db2.gz QKAJZJWUPPLKSD-ZIAGYGMSSA-N 2 1 361.442 0.749 20 10 FCCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c(OC)c1 ZINC001279352138 1260846428 /nfs/dbraw/zinc/84/64/28/1260846428.db2.gz WJPFNGDQKBJUGM-GASCZTMLSA-N 2 1 365.474 0.856 20 10 FCCDMP COC(=O)[C@H]1C[N@H+](C)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261011 849334009 /nfs/dbraw/zinc/33/40/09/849334009.db2.gz RTWMBFSLBZPUKF-OAHLLOKOSA-N 2 1 351.447 0.751 20 10 FCCDMP COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261011 849334018 /nfs/dbraw/zinc/33/40/18/849334018.db2.gz RTWMBFSLBZPUKF-OAHLLOKOSA-N 2 1 351.447 0.751 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CS(N)(=O)=O)C3)cc2F)CC1 ZINC001343284034 870340387 /nfs/dbraw/zinc/34/03/87/870340387.db2.gz DWXOWMKVMVMPBP-OAHLLOKOSA-N 2 1 370.494 0.688 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CS(N)(=O)=O)C3)cc2F)CC1 ZINC001343284034 870340398 /nfs/dbraw/zinc/34/03/98/870340398.db2.gz DWXOWMKVMVMPBP-OAHLLOKOSA-N 2 1 370.494 0.688 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(S(C)(=O)=O)C3)cc2F)CC1 ZINC001326785978 870499316 /nfs/dbraw/zinc/49/93/16/870499316.db2.gz DOEKAHWGOKVVPE-OAHLLOKOSA-N 2 1 370.494 0.701 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000829505977 669705231 /nfs/dbraw/zinc/70/52/31/669705231.db2.gz PPWWZAFSEFHIQI-QGZVFWFLSA-N 2 1 350.463 0.297 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)OCC1=O ZINC001276781579 1224154375 /nfs/dbraw/zinc/15/43/75/1224154375.db2.gz YXHPTDWDVISLCQ-SFHVURJKSA-N 2 1 365.430 0.168 20 10 FCCDMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1c(O)cc(O)cc1O)CCC2 ZINC001144508323 1204544246 /nfs/dbraw/zinc/54/42/46/1204544246.db2.gz MGTIFMYKJLKDOX-UHFFFAOYSA-N 2 1 360.414 0.828 20 10 FCCDMP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1c(O)cc(O)cc1O)CCC2 ZINC001144508323 1204544248 /nfs/dbraw/zinc/54/42/48/1204544248.db2.gz MGTIFMYKJLKDOX-UHFFFAOYSA-N 2 1 360.414 0.828 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000889661200 1210943538 /nfs/dbraw/zinc/94/35/38/1210943538.db2.gz TZRFCXDULDVTBB-RBUKOAKNSA-N 2 1 373.501 0.399 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000841749337 1222828975 /nfs/dbraw/zinc/82/89/75/1222828975.db2.gz CPYSXJFDRWPTGK-UHFFFAOYSA-N 2 1 361.490 0.950 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332759 1245711532 /nfs/dbraw/zinc/71/15/32/1245711532.db2.gz WOZVJOJRWKPRTA-TZIWHRDSSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332759 1245711541 /nfs/dbraw/zinc/71/15/41/1245711541.db2.gz WOZVJOJRWKPRTA-TZIWHRDSSA-N 2 1 374.529 0.864 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[NH+]3CCC(C)([NH3+])CC3)CC2)cc1 ZINC000923345680 1245711845 /nfs/dbraw/zinc/71/18/45/1245711845.db2.gz LSGZEYBUNZTZSO-GOSISDBHSA-N 2 1 362.518 0.991 20 10 FCCDMP COc1cc(O)c(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc1OC ZINC001279673957 1260912383 /nfs/dbraw/zinc/91/23/83/1260912383.db2.gz MHNUFDBIDJISAP-KXBFYZLASA-N 2 1 365.474 0.856 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCNS(C)(=O)=O)cc2F)CC1 ZINC001116013764 846590907 /nfs/dbraw/zinc/59/09/07/846590907.db2.gz PUAGCQMXVORHJP-UHFFFAOYSA-N 2 1 358.483 0.606 20 10 FCCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000849326391 671327971 /nfs/dbraw/zinc/32/79/71/671327971.db2.gz IBTYJINGNAKWFD-GOSISDBHSA-N 2 1 367.515 0.466 20 10 FCCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC000849326391 671327975 /nfs/dbraw/zinc/32/79/75/671327975.db2.gz IBTYJINGNAKWFD-GOSISDBHSA-N 2 1 367.515 0.466 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000891447730 1170541659 /nfs/dbraw/zinc/54/16/59/1170541659.db2.gz COWIKKWCLVOJKM-HZPDHXFCSA-N 2 1 361.490 0.948 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](N)CC[NH+](C)C)CC2)cc1 ZINC000846673741 1204651359 /nfs/dbraw/zinc/65/13/59/1204651359.db2.gz DVWPEYGESQGRJC-GOSISDBHSA-N 2 1 363.506 0.212 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000889661181 1210943498 /nfs/dbraw/zinc/94/34/98/1210943498.db2.gz STKAQKVFPNQFJV-LJQANCHMSA-N 2 1 373.501 0.399 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2)CC1 ZINC000889661181 1210943502 /nfs/dbraw/zinc/94/35/02/1210943502.db2.gz STKAQKVFPNQFJV-LJQANCHMSA-N 2 1 373.501 0.399 20 10 FCCDMP Cc1c(O)ccc(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1O ZINC001275279482 1211207079 /nfs/dbraw/zinc/20/70/79/1211207079.db2.gz HSHIUQWEXXIKLY-IBGZPJMESA-N 2 1 363.458 0.771 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275580082 1211260003 /nfs/dbraw/zinc/26/00/03/1211260003.db2.gz UETVUJXPDZFHSX-IBGZPJMESA-N 2 1 363.458 0.710 20 10 FCCDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001275580082 1211260004 /nfs/dbraw/zinc/26/00/04/1211260004.db2.gz UETVUJXPDZFHSX-IBGZPJMESA-N 2 1 363.458 0.710 20 10 FCCDMP O=C1NCC[C@]12C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC21C[NH2+]C1 ZINC001222520307 1225630661 /nfs/dbraw/zinc/63/06/61/1225630661.db2.gz FHIGNFNGPQAECC-FQEVSTJZSA-N 3 1 355.486 0.008 20 10 FCCDMP O=C1NCC[C@]12CN(Cc1ccc(N3CC[NH2+]CC3)cc1)CC21C[NH2+]C1 ZINC001222520307 1225630666 /nfs/dbraw/zinc/63/06/66/1225630666.db2.gz FHIGNFNGPQAECC-FQEVSTJZSA-N 2 1 355.486 0.008 20 10 FCCDMP C[NH2+][C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000841750062 1222828671 /nfs/dbraw/zinc/82/86/71/1222828671.db2.gz KWVXXRCOTZECFF-MRXNPFEDSA-N 2 1 361.490 0.821 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000923357962 1245712392 /nfs/dbraw/zinc/71/23/92/1245712392.db2.gz BVSZGZGJHDNTQJ-CUWPLCDZSA-N 2 1 374.529 0.862 20 10 FCCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000923357962 1245712398 /nfs/dbraw/zinc/71/23/98/1245712398.db2.gz BVSZGZGJHDNTQJ-CUWPLCDZSA-N 2 1 374.529 0.862 20 10 FCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CS(N)(=O)=O)C3)cc2)CC1 ZINC000897060188 665142146 /nfs/dbraw/zinc/14/21/46/665142146.db2.gz FMWNZSJULWLCRP-INIZCTEOSA-N 2 1 352.504 0.549 20 10 FCCDMP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850360943 671380826 /nfs/dbraw/zinc/38/08/26/671380826.db2.gz LDKASFLCUDTHDX-IRXDYDNUSA-N 2 1 353.488 0.340 20 10 FCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000844224468 1204379701 /nfs/dbraw/zinc/37/97/01/1204379701.db2.gz FQUBHTFAXNFWRJ-IBGZPJMESA-N 2 1 359.518 0.691 20 10 FCCDMP C[NH+]1CCN(c2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000889659287 1210943570 /nfs/dbraw/zinc/94/35/70/1210943570.db2.gz UDVPXYVZZANWPZ-SFHVURJKSA-N 2 1 361.490 0.304 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000754082412 1220104316 /nfs/dbraw/zinc/10/43/16/1220104316.db2.gz OXLRKTGKJDDKSA-MJGOQNOKSA-N 2 1 362.518 0.814 20 10 FCCDMP C[NH2+]C[C@@H](C)CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001328714594 1265600145 /nfs/dbraw/zinc/60/01/45/1265600145.db2.gz UWAMXSCLUKRQLQ-MRXNPFEDSA-N 2 1 363.506 0.972 20 10 FCCDMP COc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc1OC ZINC001279673952 1260912680 /nfs/dbraw/zinc/91/26/80/1260912680.db2.gz MHNUFDBIDJISAP-BEFAXECRSA-N 2 1 365.474 0.856 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c(O)cccc3F)C2)OCC1=O ZINC001276030988 861293944 /nfs/dbraw/zinc/29/39/44/861293944.db2.gz CRUCKYKVYHEBER-GOSISDBHSA-N 2 1 351.422 0.896 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3c(O)cccc3F)C2)OCC1=O ZINC001276030988 861293956 /nfs/dbraw/zinc/29/39/56/861293956.db2.gz CRUCKYKVYHEBER-GOSISDBHSA-N 2 1 351.422 0.896 20 10 FCCDMP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001356535877 868020042 /nfs/dbraw/zinc/02/00/42/868020042.db2.gz XFBUSOQIMKBSRJ-SJLPKXTDSA-N 2 1 350.507 0.718 20 10 FCCDMP C[NH2+]CCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923379038 667829503 /nfs/dbraw/zinc/82/95/03/667829503.db2.gz NFSUJEGYWHVKNX-SFHVURJKSA-N 2 1 350.507 0.719 20 10 FCCDMP C[NH2+]CCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923379038 667829505 /nfs/dbraw/zinc/82/95/05/667829505.db2.gz NFSUJEGYWHVKNX-SFHVURJKSA-N 2 1 350.507 0.719 20 10 FCCDMP CN(C)c1ccc([C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000891245390 1169805401 /nfs/dbraw/zinc/80/54/01/1169805401.db2.gz DFPUJXWKJSCTJT-LJQANCHMSA-N 2 1 361.534 0.965 20 10 FCCDMP COc1ccc(N2CC[NH+](CCNC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000891448567 1170570895 /nfs/dbraw/zinc/57/08/95/1170570895.db2.gz RATGQOKNNGRHLA-CALCHBBNSA-N 2 1 373.501 0.963 20 10 FCCDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)OCC1=O ZINC001276781578 1224154071 /nfs/dbraw/zinc/15/40/71/1224154071.db2.gz YXHPTDWDVISLCQ-GOSISDBHSA-N 2 1 365.430 0.168 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000899104658 1194109456 /nfs/dbraw/zinc/10/94/56/1194109456.db2.gz RVPKPRXZNLOHFC-PKOBYXMFSA-N 2 1 363.506 0.721 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)[NH+](C)C)cc1 ZINC000899099353 1194110672 /nfs/dbraw/zinc/11/06/72/1194110672.db2.gz ZIZMKNLODZRVOH-MSOLQXFVSA-N 2 1 363.506 0.721 20 10 FCCDMP COc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)c1 ZINC001275255112 1211203191 /nfs/dbraw/zinc/20/31/91/1211203191.db2.gz YTGAISZDSVPNCD-IBGZPJMESA-N 2 1 363.458 0.766 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000931888992 1211780732 /nfs/dbraw/zinc/78/07/32/1211780732.db2.gz AJQCDKAGEWFLNI-IRXDYDNUSA-N 2 1 361.490 0.292 20 10 FCCDMP CN(C)c1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)[NH+](C)C)cc1 ZINC000931888992 1211780733 /nfs/dbraw/zinc/78/07/33/1211780733.db2.gz AJQCDKAGEWFLNI-IRXDYDNUSA-N 2 1 361.490 0.292 20 10 FCCDMP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841892828 1222830873 /nfs/dbraw/zinc/83/08/73/1222830873.db2.gz YCNZJPNJAXQSTK-GOSISDBHSA-N 2 1 374.485 0.692 20 10 FCCDMP COc1cc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]23)c(O)cc1O ZINC001279299825 1260829019 /nfs/dbraw/zinc/82/90/19/1260829019.db2.gz QKAJZJWUPPLKSD-KBPBESRZSA-N 2 1 361.442 0.749 20 10 FCCDMP