smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000160136967 344457929 /nfs/dbraw/zinc/45/79/29/344457929.db2.gz QAMLWDLRSIWDFX-ZYHUDNBSSA-N 1 0 252.383 2.062 20 70 CEIDRO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160724901 344461350 /nfs/dbraw/zinc/46/13/50/344461350.db2.gz HSPHVWQIXUWMAL-CYBMUJFWSA-N 1 0 267.417 2.349 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)C[NH2+]CC2CC2)c1 ZINC000160735705 232252371 /nfs/dbraw/zinc/25/23/71/232252371.db2.gz PXGOKKOLTDMWCP-CYBMUJFWSA-N 1 0 260.381 2.214 20 70 CEIDRO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000160452971 188473321 /nfs/dbraw/zinc/47/33/21/188473321.db2.gz CXUANWLVYSPNOG-GHMZBOCLSA-N 1 0 254.399 2.387 20 70 CEIDRO CC(C)CC1(CNC(=O)[C@H]2CCC[NH2+]C2)CCC1 ZINC000160675203 188486344 /nfs/dbraw/zinc/48/63/44/188486344.db2.gz GXXGSVXUQSVBEA-ZDUSSCGKSA-N 1 0 252.402 2.319 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000160551462 188480703 /nfs/dbraw/zinc/48/07/03/188480703.db2.gz OHJFMOXDUQHGEX-UHFFFAOYSA-N 1 0 294.395 2.260 20 70 CEIDRO CO[C@H]1CCN(Cc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000161012927 188502473 /nfs/dbraw/zinc/50/24/73/188502473.db2.gz VGHTXPZBXWONQD-RYUDHWBXSA-N 1 0 286.778 2.417 20 70 CEIDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160959585 188500128 /nfs/dbraw/zinc/50/01/28/188500128.db2.gz XVEKDWBLFGUPOP-OLZOCXBDSA-N 1 0 278.396 2.336 20 70 CEIDRO CCO[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)C12CCCC2 ZINC000159558103 540096410 /nfs/dbraw/zinc/09/64/10/540096410.db2.gz KJGYQEMRKUKQTO-STQMWFEESA-N 1 0 280.412 2.112 20 70 CEIDRO COc1cc(C)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160795752 540123075 /nfs/dbraw/zinc/12/30/75/540123075.db2.gz KVOCBAQWUZVLLF-ZJUUUORDSA-N 1 0 268.382 2.065 20 70 CEIDRO COc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000160886150 540126166 /nfs/dbraw/zinc/12/61/66/540126166.db2.gz HNWGNYWNLAUQBI-NWDGAFQWSA-N 1 0 262.353 2.003 20 70 CEIDRO COc1ccc(SCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161137659 540133669 /nfs/dbraw/zinc/13/36/69/540133669.db2.gz ADRPBPSNAPLZOE-VXGBXAGGSA-N 1 0 294.420 2.173 20 70 CEIDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000159895841 540436868 /nfs/dbraw/zinc/43/68/68/540436868.db2.gz XBUYBAQSNNROOJ-CYBMUJFWSA-N 1 0 296.378 2.335 20 70 CEIDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CCO1 ZINC000159977523 540441551 /nfs/dbraw/zinc/44/15/51/540441551.db2.gz VCCDGWKLMMTKFV-WCQYABFASA-N 1 0 276.380 2.300 20 70 CEIDRO CC(C)CC[C@@](C)(O)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000159379655 366907745 /nfs/dbraw/zinc/90/77/45/366907745.db2.gz RXNYCJWZFPIKLF-OAHLLOKOSA-N 1 0 292.414 2.493 20 70 CEIDRO C[C@H]1C[C@H](CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000159450419 366914962 /nfs/dbraw/zinc/91/49/62/366914962.db2.gz OTGDUEFMLNXLCB-QWHCGFSZSA-N 1 0 252.402 2.271 20 70 CEIDRO CCOc1ccccc1OCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159451009 366915256 /nfs/dbraw/zinc/91/52/56/366915256.db2.gz DNAHFXZEGLXNHB-KGLIPLIRSA-N 1 0 279.380 2.167 20 70 CEIDRO Cc1nc(Cl)ccc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000159527478 366923090 /nfs/dbraw/zinc/92/30/90/366923090.db2.gz VSKKAVOQYOXKDW-UHFFFAOYSA-N 1 0 293.798 2.211 20 70 CEIDRO COCCC1(C(=O)NCC[NH+](C(C)C)C(C)C)CCC1 ZINC000159627723 366933901 /nfs/dbraw/zinc/93/39/01/366933901.db2.gz HUQMWANHNQEVTB-UHFFFAOYSA-N 1 0 284.444 2.428 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159808758 366949039 /nfs/dbraw/zinc/94/90/39/366949039.db2.gz CTAGOSLSSROZLE-MWLCHTKSSA-N 1 0 252.745 2.003 20 70 CEIDRO NC(=O)[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000159865030 366955195 /nfs/dbraw/zinc/95/51/95/366955195.db2.gz JGRBXTGFBZYDQF-GFCCVEGCSA-N 1 0 287.388 2.117 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCCCCCC1 ZINC000160073017 366971976 /nfs/dbraw/zinc/97/19/76/366971976.db2.gz MWBRHOBXGRREOY-CPUCHLNUSA-N 1 0 294.439 2.312 20 70 CEIDRO CSc1cc2c(cc1C[NH2+][C@@]1(C)CCOC1)OCCO2 ZINC000160184806 366981523 /nfs/dbraw/zinc/98/15/23/366981523.db2.gz PKIVWTLMZUPILE-HNNXBMFYSA-N 1 0 295.404 2.448 20 70 CEIDRO Cc1noc(C)c1C[C@H](C)NC(=O)CCCCCC[NH3+] ZINC000160209979 366982345 /nfs/dbraw/zinc/98/23/45/366982345.db2.gz QGOOMJCOPQVBIK-NSHDSACASA-N 1 0 281.400 2.248 20 70 CEIDRO OCCC[NH2+]Cc1c(F)cccc1Br ZINC000160261535 366987206 /nfs/dbraw/zinc/98/72/06/366987206.db2.gz NZJAWSGBBATBCM-UHFFFAOYSA-N 1 0 262.122 2.060 20 70 CEIDRO Cc1cccc2nc(CN[C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160313846 366993824 /nfs/dbraw/zinc/99/38/24/366993824.db2.gz MEYHHPOKSUWWBG-NOLJZWGESA-N 1 0 286.423 2.461 20 70 CEIDRO CCOCCC[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000160417094 367003448 /nfs/dbraw/zinc/00/34/48/367003448.db2.gz BLLVTHHCXHSENO-OAHLLOKOSA-N 1 0 254.418 2.363 20 70 CEIDRO CC1(C)C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000160538421 367015824 /nfs/dbraw/zinc/01/58/24/367015824.db2.gz KPWWHZKOZRHXTF-ZDUSSCGKSA-N 1 0 286.379 2.315 20 70 CEIDRO COC(CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000160932381 367043326 /nfs/dbraw/zinc/04/33/26/367043326.db2.gz XODMYVSBTKPAAV-UHFFFAOYSA-N 1 0 292.423 2.202 20 70 CEIDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cnc4ccccn34)C2)cn1 ZINC000160928196 367043996 /nfs/dbraw/zinc/04/39/96/367043996.db2.gz HAIGFKASNRAFDR-AWEZNQCLSA-N 1 0 295.390 2.132 20 70 CEIDRO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000161085452 367055260 /nfs/dbraw/zinc/05/52/60/367055260.db2.gz ZWZSRYGVCGGFOI-CABCVRRESA-N 1 0 290.407 2.477 20 70 CEIDRO C[C@H]([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161134563 367061200 /nfs/dbraw/zinc/06/12/00/367061200.db2.gz UPRYSEDZCCRDLU-NSHDSACASA-N 1 0 262.353 2.432 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)NC(C)(C)c1cccc(F)c1 ZINC000161161127 367062772 /nfs/dbraw/zinc/06/27/72/367062772.db2.gz XUWQIBDJHOCSAX-LBPRGKRZSA-N 1 0 252.333 2.304 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000161243216 367071650 /nfs/dbraw/zinc/07/16/50/367071650.db2.gz DMRPYJFKXGMPMR-HNNXBMFYSA-N 1 0 288.391 2.299 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)C1 ZINC000160687888 367027393 /nfs/dbraw/zinc/02/73/93/367027393.db2.gz CZNCWJRUUUGPEB-QGZVFWFLSA-N 1 0 295.386 2.491 20 70 CEIDRO COCCC1(C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000160781299 367033518 /nfs/dbraw/zinc/03/35/18/367033518.db2.gz ALUJVEUGASTLRB-UHFFFAOYSA-N 1 0 282.428 2.184 20 70 CEIDRO CC[C@H](C(=O)NCc1csc(-c2ccco2)n1)[NH+](C)C ZINC000161379479 367082752 /nfs/dbraw/zinc/08/27/52/367082752.db2.gz PNGMMYSWAOFRSH-LLVKDONJSA-N 1 0 293.392 2.360 20 70 CEIDRO Cc1sc2[nH]c(CN(C)CC3CC3)nc(=O)c2c1C ZINC000161429070 367085248 /nfs/dbraw/zinc/08/52/48/367085248.db2.gz ZLWLICQLJJJFKY-UHFFFAOYSA-N 1 0 277.393 2.443 20 70 CEIDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)N(C)C1CC1 ZINC000217549934 370196355 /nfs/dbraw/zinc/19/63/55/370196355.db2.gz KWRPVOBNYWOCGE-QWHCGFSZSA-N 1 0 262.397 2.396 20 70 CEIDRO CC[N@H+](CCNCc1ccc(OC)cc1F)C1CC1 ZINC000218353716 370208657 /nfs/dbraw/zinc/20/86/57/370208657.db2.gz KUJTWHCGPILPFE-UHFFFAOYSA-N 1 0 266.360 2.408 20 70 CEIDRO C[C@H](CNC(=O)C1(C[NH3+])CCCC1)Oc1ccccc1F ZINC000161160019 249319557 /nfs/dbraw/zinc/31/95/57/249319557.db2.gz JQEGANPTWHFAFF-GFCCVEGCSA-N 1 0 294.370 2.228 20 70 CEIDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160121037 300001794 /nfs/dbraw/zinc/00/17/94/300001794.db2.gz ZPFHJMLBZIVIGF-IGRMKNIWSA-N 1 0 276.424 2.173 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000160679627 533036385 /nfs/dbraw/zinc/03/63/85/533036385.db2.gz OJIRJMWWGSCAFV-JSGCOSHPSA-N 1 0 252.402 2.413 20 70 CEIDRO CC(C)(O)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159622230 395059351 /nfs/dbraw/zinc/05/93/51/395059351.db2.gz OGUJCIDCIFPHRM-KRWDZBQOSA-N 1 0 275.392 2.321 20 70 CEIDRO CC(C)n1ccnc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000160789372 395062171 /nfs/dbraw/zinc/06/21/71/395062171.db2.gz RUPONRODKJVZED-ZDUSSCGKSA-N 1 0 263.385 2.465 20 70 CEIDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000161053496 400284200 /nfs/dbraw/zinc/28/42/00/400284200.db2.gz XRNTVCXOWPPKRS-BHDSKKPTSA-N 1 0 282.359 2.385 20 70 CEIDRO C[C@@H]1CCN(CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000159863541 162314662 /nfs/dbraw/zinc/31/46/62/162314662.db2.gz PDXVOMUTXYEHLG-QGZVFWFLSA-N 1 0 298.434 2.480 20 70 CEIDRO Cc1ccc(C)c(CC(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159798273 162314704 /nfs/dbraw/zinc/31/47/04/162314704.db2.gz AITFLFKFIJXFBP-OAHLLOKOSA-N 1 0 260.381 2.042 20 70 CEIDRO CN(C(=O)c1nccc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159833905 162315124 /nfs/dbraw/zinc/31/51/24/162315124.db2.gz ACHGJAJAXBGIFH-CQSZACIVSA-N 1 0 269.348 2.044 20 70 CEIDRO C[C@@H](CC[NH+](C)C)Nc1nnc(C(F)(F)F)s1 ZINC000160167366 162322394 /nfs/dbraw/zinc/32/23/94/162322394.db2.gz NWIRVHJJZDVMNZ-LURJTMIESA-N 1 0 268.308 2.309 20 70 CEIDRO CC[C@@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)[NH+](C)C ZINC000160243463 162326352 /nfs/dbraw/zinc/32/63/52/162326352.db2.gz BJIFJPRLQKFAKG-INIZCTEOSA-N 1 0 288.391 2.348 20 70 CEIDRO CCS[C@H]1CCCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000159767499 276399669 /nfs/dbraw/zinc/39/96/69/276399669.db2.gz BAOGIZUBUVXOOR-RYUDHWBXSA-N 1 0 290.498 2.201 20 70 CEIDRO CN(C(=O)c1cccc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000159807491 276747391 /nfs/dbraw/zinc/74/73/91/276747391.db2.gz YAXNKKODKOIIIS-CQSZACIVSA-N 1 0 269.348 2.044 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160593328 295273671 /nfs/dbraw/zinc/27/36/71/295273671.db2.gz HNYYLKXVPRRSSG-CYBMUJFWSA-N 1 0 265.353 2.269 20 70 CEIDRO CN(Cc1ccncc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159427138 297428780 /nfs/dbraw/zinc/42/87/80/297428780.db2.gz XXGATJUHNQPEAV-UHFFFAOYSA-N 1 0 283.375 2.415 20 70 CEIDRO CC[C@@H](C)OCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159776116 297430665 /nfs/dbraw/zinc/43/06/65/297430665.db2.gz NJBOZFVPQLDSIK-ZIAGYGMSSA-N 1 0 270.417 2.040 20 70 CEIDRO CS[C@H](C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000160034990 297432411 /nfs/dbraw/zinc/43/24/11/297432411.db2.gz KJDXRHVQIPUCJD-MNOVXSKESA-N 1 0 275.462 2.013 20 70 CEIDRO CC(C)OCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161263338 297442696 /nfs/dbraw/zinc/44/26/96/297442696.db2.gz URLILEBTOUTYBF-LBPRGKRZSA-N 1 0 283.334 2.437 20 70 CEIDRO COCCN(CC(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159924668 312635772 /nfs/dbraw/zinc/63/57/72/312635772.db2.gz DYVNHTKGNBZGON-UHFFFAOYSA-N 1 0 292.423 2.493 20 70 CEIDRO O=C(CCC[NH2+]Cc1cccc2cc[nH]c21)NC1CC1 ZINC000218108802 534358865 /nfs/dbraw/zinc/35/88/65/534358865.db2.gz XCLXLWHTMMEWTE-UHFFFAOYSA-N 1 0 271.364 2.316 20 70 CEIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc[nH]c1=O ZINC000160656039 520642639 /nfs/dbraw/zinc/64/26/39/520642639.db2.gz DRQIWNSCLYAVGK-UHFFFAOYSA-N 1 0 293.411 2.227 20 70 CEIDRO C[C@H]1CCC[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000160680263 524127592 /nfs/dbraw/zinc/12/75/92/524127592.db2.gz IQPQJAKWZAWGDF-LSDHHAIUSA-N 1 0 282.428 2.041 20 70 CEIDRO Cc1ccc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000160344913 525384893 /nfs/dbraw/zinc/38/48/93/525384893.db2.gz FYROSVAVVPTDBQ-GASCZTMLSA-N 1 0 288.391 2.035 20 70 CEIDRO O=C(NCC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000160693081 526336477 /nfs/dbraw/zinc/33/64/77/526336477.db2.gz PGZLLCUUOGSSJG-UHFFFAOYSA-N 1 0 258.365 2.180 20 70 CEIDRO [NH3+]CC1(C(=O)N2CCS[C@H]3CCCC[C@H]32)CCCC1 ZINC000161428382 527162097 /nfs/dbraw/zinc/16/20/97/527162097.db2.gz ULMPYJCWEIIHGP-OLZOCXBDSA-N 1 0 282.453 2.392 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CCOc1ccc(F)cc1Cl ZINC000160043093 527245476 /nfs/dbraw/zinc/24/54/76/527245476.db2.gz SFRPISBKVMPKKE-UHFFFAOYSA-N 1 0 288.750 2.102 20 70 CEIDRO Cc1nccn1CCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161465339 527416070 /nfs/dbraw/zinc/41/60/70/527416070.db2.gz HSXBNHIECVZGNO-GFCCVEGCSA-N 1 0 251.374 2.081 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000161310973 528006464 /nfs/dbraw/zinc/00/64/64/528006464.db2.gz RQMFHAZCGHEYIW-CYBMUJFWSA-N 1 0 284.444 2.307 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2cccs2)C1 ZINC000160950879 574512856 /nfs/dbraw/zinc/51/28/56/574512856.db2.gz YBROCHAPRKMQDM-NEPJUHHUSA-N 1 0 266.410 2.457 20 70 CEIDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218157764 539232352 /nfs/dbraw/zinc/23/23/52/539232352.db2.gz GYUJVQPMOOLPFJ-AWEZNQCLSA-N 1 0 273.380 2.418 20 70 CEIDRO CCOc1cc(CNC(=O)CC[NH2+]C(C)C)ccc1OC ZINC000159587261 344455668 /nfs/dbraw/zinc/45/56/68/344455668.db2.gz UDFYOGQBDKVAQH-UHFFFAOYSA-N 1 0 294.395 2.098 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000160119655 344457174 /nfs/dbraw/zinc/45/71/74/344457174.db2.gz WKOFLDKOOKHBSA-MRXNPFEDSA-N 1 0 274.408 2.390 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000159384630 232246834 /nfs/dbraw/zinc/24/68/34/232246834.db2.gz WQGCWNRHSKCDPD-OPQQBVKSSA-N 1 0 280.318 2.079 20 70 CEIDRO CN(C(=O)C1CC[NH2+]CC1)[C@@H]1CCc2ccccc2C1 ZINC000160119115 232249684 /nfs/dbraw/zinc/24/96/84/232249684.db2.gz DTKMWWHOOJPUTJ-MRXNPFEDSA-N 1 0 272.392 2.002 20 70 CEIDRO CCc1ccc(CC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161290260 188520105 /nfs/dbraw/zinc/52/01/05/188520105.db2.gz XLXRRFNVTKZUDH-HNNXBMFYSA-N 1 0 260.381 2.002 20 70 CEIDRO COc1ccc2oc(C(=O)NCC(C)(C)[NH3+])c(C)c2c1 ZINC000160064408 540110888 /nfs/dbraw/zinc/11/08/88/540110888.db2.gz MSAZPRLXDZEADP-UHFFFAOYSA-N 1 0 276.336 2.217 20 70 CEIDRO [NH3+]C1(CC(=O)N[C@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000161070378 540132427 /nfs/dbraw/zinc/13/24/27/540132427.db2.gz QNWVMDBPTZUAQZ-OLZOCXBDSA-N 1 0 250.386 2.343 20 70 CEIDRO Cc1ccccc1CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161113605 540132869 /nfs/dbraw/zinc/13/28/69/540132869.db2.gz HVEUTUSZFUFVCG-LSDHHAIUSA-N 1 0 260.381 2.314 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000161397091 540137457 /nfs/dbraw/zinc/13/74/57/540137457.db2.gz RAYWWYWZRYMXFV-RYUDHWBXSA-N 1 0 282.771 2.105 20 70 CEIDRO CCc1ncnc(NCC[N@H+](C)C2CCCC2)c1F ZINC000218007982 540168762 /nfs/dbraw/zinc/16/87/62/540168762.db2.gz BEZOMZNWNIVUAF-UHFFFAOYSA-N 1 0 266.364 2.464 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c(F)cccc1F ZINC000159688147 366940085 /nfs/dbraw/zinc/94/00/85/366940085.db2.gz YIPFCYLYHVPNGV-UWVGGRQHSA-N 1 0 268.307 2.051 20 70 CEIDRO CS[C@H](C)CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000159751487 366945143 /nfs/dbraw/zinc/94/51/43/366945143.db2.gz SLSKCDKMIFRORQ-JHJVBQTASA-N 1 0 287.473 2.158 20 70 CEIDRO O=C1C[C@H]([NH2+]CCc2cccc3cccnc32)CCCN1 ZINC000159360983 366905939 /nfs/dbraw/zinc/90/59/39/366905939.db2.gz ORADXIJMFPHHQO-OAHLLOKOSA-N 1 0 283.375 2.036 20 70 CEIDRO C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000159392501 366908591 /nfs/dbraw/zinc/90/85/91/366908591.db2.gz YUUJUMPQPDVCNU-ABNPOPBRSA-N 1 0 294.439 2.322 20 70 CEIDRO CCc1ccc([C@H](C)[NH2+]CCN(C)CCOC)o1 ZINC000159431932 366912310 /nfs/dbraw/zinc/91/23/10/366912310.db2.gz NTFVFTZRNHXVLX-LBPRGKRZSA-N 1 0 254.374 2.071 20 70 CEIDRO [NH3+]C1(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)CCCCC1 ZINC000159502301 366918901 /nfs/dbraw/zinc/91/89/01/366918901.db2.gz VUCIUWCRBZDJLW-UHFFFAOYSA-N 1 0 285.351 2.072 20 70 CEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000159503172 366919155 /nfs/dbraw/zinc/91/91/55/366919155.db2.gz UOKXUMVCOVHXIE-SRVKXCTJSA-N 1 0 298.814 2.218 20 70 CEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC000159572306 366926908 /nfs/dbraw/zinc/92/69/08/366926908.db2.gz PBUKAJNFRBBDOJ-GFCCVEGCSA-N 1 0 264.344 2.348 20 70 CEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC000159570252 366927218 /nfs/dbraw/zinc/92/72/18/366927218.db2.gz YYQHLXQKHYOQJY-CQSZACIVSA-N 1 0 282.428 2.184 20 70 CEIDRO CCCCOCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159649194 366935803 /nfs/dbraw/zinc/93/58/03/366935803.db2.gz SRUGDLLYXWZPHO-UHFFFAOYSA-N 1 0 270.417 2.232 20 70 CEIDRO CC[C@@H](C(=O)NC[C@@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000159667401 366937346 /nfs/dbraw/zinc/93/73/46/366937346.db2.gz BETQVTNZYGAHHV-ZFWWWQNUSA-N 1 0 289.423 2.067 20 70 CEIDRO CC[C@H](COC)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159833329 366952741 /nfs/dbraw/zinc/95/27/41/366952741.db2.gz LXKXXJKEBRKTDA-WMLDXEAASA-N 1 0 276.424 2.448 20 70 CEIDRO C[C@H](NCCC(C)(C)O)c1noc(Cc2ccccc2)n1 ZINC000159976649 366962128 /nfs/dbraw/zinc/96/21/28/366962128.db2.gz KVVAVUVCNRKAJO-LBPRGKRZSA-N 1 0 289.379 2.472 20 70 CEIDRO C[C@H](C[NH3+])C(=O)Nc1ccc(F)c(Br)c1 ZINC000159956620 366962367 /nfs/dbraw/zinc/96/23/67/366962367.db2.gz NCTRBLOHDDZBSI-ZCFIWIBFSA-N 1 0 275.121 2.122 20 70 CEIDRO C[N@H+](CC(=O)N(CC1CC1)CC1CC1)[C@H]1CCSC1 ZINC000159993325 366964066 /nfs/dbraw/zinc/96/40/66/366964066.db2.gz IJWMBWFODHCPQV-AWEZNQCLSA-N 1 0 282.453 2.072 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)NC2CCCC2)CC1 ZINC000160013495 366965318 /nfs/dbraw/zinc/96/53/18/366965318.db2.gz AUPHHCSZKGMMRX-UHFFFAOYSA-N 1 0 253.390 2.056 20 70 CEIDRO C[C@H](C(=O)NCC(C)(C)[NH3+])c1cc2ccccc2o1 ZINC000160028673 366966991 /nfs/dbraw/zinc/96/69/91/366966991.db2.gz XOGDTHJBCCOOAI-JTQLQIEISA-N 1 0 260.337 2.390 20 70 CEIDRO CN(C)CC[NH+]1CCC(CNC(=O)CCC(C)(C)C)CC1 ZINC000160140256 366976911 /nfs/dbraw/zinc/97/69/11/366976911.db2.gz RYDCHWGKANFZPS-UHFFFAOYSA-N 1 0 297.487 2.203 20 70 CEIDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000160368331 366999533 /nfs/dbraw/zinc/99/95/33/366999533.db2.gz FFWQZBSEBVNMCD-LLVKDONJSA-N 1 0 298.789 2.432 20 70 CEIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCC1CC1 ZINC000160404556 367001976 /nfs/dbraw/zinc/00/19/76/367001976.db2.gz YJJLMYPSQUZAHA-CQSZACIVSA-N 1 0 267.417 2.158 20 70 CEIDRO O=C(NC1(c2cccc(Cl)c2)CC1)[C@@H]1CC[NH2+]C1 ZINC000160523421 367013404 /nfs/dbraw/zinc/01/34/04/367013404.db2.gz REVJTTJBWNMBGI-SNVBAGLBSA-N 1 0 264.756 2.055 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2ccco2)on1 ZINC000160543560 367015721 /nfs/dbraw/zinc/01/57/21/367015721.db2.gz AKRFNFLWKBKWMI-UHFFFAOYSA-N 1 0 277.324 2.182 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160915834 367042326 /nfs/dbraw/zinc/04/23/26/367042326.db2.gz PYRZWRXWHXJOAL-CQSZACIVSA-N 1 0 292.379 2.023 20 70 CEIDRO COC(C)(C)C[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000160968791 367046849 /nfs/dbraw/zinc/04/68/49/367046849.db2.gz YGMHCFPUNLDJLT-QWHCGFSZSA-N 1 0 284.444 2.332 20 70 CEIDRO O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H](c2ccccc2)C1 ZINC000160995343 367047924 /nfs/dbraw/zinc/04/79/24/367047924.db2.gz KWDFOTLFJFEQAP-JKSUJKDBSA-N 1 0 295.386 2.462 20 70 CEIDRO Cc1ncc(CNC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000161042634 367051594 /nfs/dbraw/zinc/05/15/94/367051594.db2.gz LIPJLRLYHYMEEJ-UHFFFAOYSA-N 1 0 289.404 2.443 20 70 CEIDRO CCCCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1C ZINC000161083980 367055184 /nfs/dbraw/zinc/05/51/84/367055184.db2.gz OHVFBGSUBJMVPL-AWEZNQCLSA-N 1 0 292.427 2.206 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000161084575 367055485 /nfs/dbraw/zinc/05/54/85/367055485.db2.gz YXTBVBIHUAZMLG-ZETCQYMHSA-N 1 0 276.258 2.221 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)C2(CCOC)CCC2)CC1 ZINC000161113440 367058157 /nfs/dbraw/zinc/05/81/57/367058157.db2.gz KLCZSEYQSVLQBY-UHFFFAOYSA-N 1 0 282.428 2.041 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000161171108 367063476 /nfs/dbraw/zinc/06/34/76/367063476.db2.gz JJGBTMVWXALITD-GXTWGEPZSA-N 1 0 280.437 2.295 20 70 CEIDRO CCCc1nc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])cs1 ZINC000161188833 367067206 /nfs/dbraw/zinc/06/72/06/367067206.db2.gz OVRXRMILDCETHX-OLZOCXBDSA-N 1 0 283.441 2.034 20 70 CEIDRO CCC(CC)c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)on1 ZINC000161303854 367076189 /nfs/dbraw/zinc/07/61/89/367076189.db2.gz DKSPHNYDIWPJSF-LLVKDONJSA-N 1 0 279.384 2.260 20 70 CEIDRO COc1ccc(C)cc1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161313949 367077270 /nfs/dbraw/zinc/07/72/70/367077270.db2.gz JEAQTADSDHZPCF-KRWDZBQOSA-N 1 0 290.407 2.052 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000161421654 367084705 /nfs/dbraw/zinc/08/47/05/367084705.db2.gz AKSPTQUJNFJJSU-GZBFAFLISA-N 1 0 260.381 2.247 20 70 CEIDRO CCCn1c(C)nnc1CN1CCC[C@H]1CSC ZINC000161432224 367086263 /nfs/dbraw/zinc/08/62/63/367086263.db2.gz JHSLPJNHBAKDEL-LBPRGKRZSA-N 1 0 268.430 2.324 20 70 CEIDRO CCCn1c(C)nnc1CN1CCC[C@@H]1CSC ZINC000161432088 367086345 /nfs/dbraw/zinc/08/63/45/367086345.db2.gz JHSLPJNHBAKDEL-GFCCVEGCSA-N 1 0 268.430 2.324 20 70 CEIDRO CC[NH+](CC)CCNC(=O)NCc1ccc(C)cc1OC ZINC000161485276 367090413 /nfs/dbraw/zinc/09/04/13/367090413.db2.gz NNIAPQIEPJYFKD-UHFFFAOYSA-N 1 0 293.411 2.145 20 70 CEIDRO CC[C@H](C)[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217729655 370200416 /nfs/dbraw/zinc/20/04/16/370200416.db2.gz ALCJNXKFPDQAMP-CWRNSKLLSA-N 1 0 290.407 2.002 20 70 CEIDRO C[N@@H+](Cc1cccnc1)C[C@@H](O)c1ccccc1F ZINC000218151997 370207406 /nfs/dbraw/zinc/20/74/06/370207406.db2.gz JRGSHKFQCVKQAW-OAHLLOKOSA-N 1 0 260.312 2.386 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000159973114 284794908 /nfs/dbraw/zinc/79/49/08/284794908.db2.gz DQXWSBYJAHAWOS-NWDGAFQWSA-N 1 0 294.443 2.367 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000160679759 533036800 /nfs/dbraw/zinc/03/68/00/533036800.db2.gz OJIRJMWWGSCAFV-OCCSQVGLSA-N 1 0 252.402 2.413 20 70 CEIDRO CCC[N@H+](CC(OC)OC)C[C@H]1COc2ccccc2O1 ZINC000160531695 395060691 /nfs/dbraw/zinc/06/06/91/395060691.db2.gz HULQHXKJZPPJTI-ZDUSSCGKSA-N 1 0 295.379 2.157 20 70 CEIDRO Nc1nc(Cl)cc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160449043 395060904 /nfs/dbraw/zinc/06/09/04/395060904.db2.gz QNHMNPKPPGFZQJ-NSHDSACASA-N 1 0 295.818 2.167 20 70 CEIDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160549049 395061090 /nfs/dbraw/zinc/06/10/90/395061090.db2.gz DQIYMHDLHYKGRK-CMPLNLGQSA-N 1 0 260.341 2.154 20 70 CEIDRO Cc1cccc(O[C@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161168756 395063427 /nfs/dbraw/zinc/06/34/27/395063427.db2.gz AVKPXUWPYFJMDB-ZIAGYGMSSA-N 1 0 276.380 2.021 20 70 CEIDRO CC(C)[NH2+]CCC(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161048627 400283840 /nfs/dbraw/zinc/28/38/40/400283840.db2.gz OPGRNPSXXJUBHR-UHFFFAOYSA-N 1 0 266.389 2.325 20 70 CEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1COc1ccccc1 ZINC000159846571 162316705 /nfs/dbraw/zinc/31/67/05/162316705.db2.gz PZSPCVBGBXQDMH-CABCVRRESA-N 1 0 288.391 2.056 20 70 CEIDRO C[N@H+](CCCOc1ccc(F)cc1)[C@@H](CN)C1CC1 ZINC000159978176 162318463 /nfs/dbraw/zinc/31/84/63/162318463.db2.gz HZAUJFUJHNQIOK-HNNXBMFYSA-N 1 0 266.360 2.264 20 70 CEIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])nc2ccccc12 ZINC000159952875 162318608 /nfs/dbraw/zinc/31/86/08/162318608.db2.gz NAABQTXIYDRCLH-UHFFFAOYSA-N 1 0 257.337 2.010 20 70 CEIDRO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159973448 162319094 /nfs/dbraw/zinc/31/90/94/162319094.db2.gz LUHKOAYYUMUAOH-KBPBESRZSA-N 1 0 267.417 2.302 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccccn1 ZINC000160851377 162327816 /nfs/dbraw/zinc/32/78/16/162327816.db2.gz TVASAEHDZQXSRR-YDHLFZDLSA-N 1 0 262.353 2.070 20 70 CEIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000160347081 162327975 /nfs/dbraw/zinc/32/79/75/162327975.db2.gz XOWGCERBLLORQV-INIZCTEOSA-N 1 0 281.359 2.198 20 70 CEIDRO Cc1ccc2c(c1)N(C(=O)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000159748727 274772399 /nfs/dbraw/zinc/77/23/99/274772399.db2.gz RSDHKHCEDKQFAY-CQSZACIVSA-N 1 0 258.365 2.274 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000160558515 278534280 /nfs/dbraw/zinc/53/42/80/278534280.db2.gz SORVWTGIDMATEC-HNNXBMFYSA-N 1 0 279.428 2.399 20 70 CEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000161212013 279275189 /nfs/dbraw/zinc/27/51/89/279275189.db2.gz CZCXYPCOIOXBMO-UKRRQHHQSA-N 1 0 276.428 2.262 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000160133896 280095486 /nfs/dbraw/zinc/09/54/86/280095486.db2.gz BMXNYFQKUUSFPZ-AWEZNQCLSA-N 1 0 284.444 2.164 20 70 CEIDRO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000217597155 280209398 /nfs/dbraw/zinc/20/93/98/280209398.db2.gz BXNYQFIKCCEQKH-PIZKADEWSA-N 1 0 262.328 2.179 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000159644789 297429703 /nfs/dbraw/zinc/42/97/03/297429703.db2.gz FCDYJGJIUMHPKR-OLZOCXBDSA-N 1 0 255.406 2.016 20 70 CEIDRO CC[C@H](C)OCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159776263 297430840 /nfs/dbraw/zinc/43/08/40/297430840.db2.gz NJBOZFVPQLDSIK-KGLIPLIRSA-N 1 0 270.417 2.040 20 70 CEIDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC000159674210 312633115 /nfs/dbraw/zinc/63/31/15/312633115.db2.gz GFUGLIYDXVKRGX-GFCCVEGCSA-N 1 0 279.384 2.203 20 70 CEIDRO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1(C)C ZINC000159770114 312633958 /nfs/dbraw/zinc/63/39/58/312633958.db2.gz LAGJMOOIBCAAPF-ZIAGYGMSSA-N 1 0 297.443 2.103 20 70 CEIDRO CC[NH+](CC)[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160876672 312642486 /nfs/dbraw/zinc/64/24/86/312642486.db2.gz XNMCGIXUEQBRAE-AWEZNQCLSA-N 1 0 272.396 2.250 20 70 CEIDRO C(CN1CCS[C@H]2COCC[C@@H]21)C[NH+]1CCCCC1 ZINC000161416797 518385654 /nfs/dbraw/zinc/38/56/54/518385654.db2.gz JXIFPDXUFXQYAW-GJZGRUSLSA-N 1 0 284.469 2.069 20 70 CEIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000160833792 519828735 /nfs/dbraw/zinc/82/87/35/519828735.db2.gz WEMXNKMNPOCRQJ-IUODEOHRSA-N 1 0 290.398 2.367 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000161314425 522324376 /nfs/dbraw/zinc/32/43/76/522324376.db2.gz MSCZIHFLGQNPCQ-KYOSRNDESA-N 1 0 276.380 2.137 20 70 CEIDRO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000160914864 524681026 /nfs/dbraw/zinc/68/10/26/524681026.db2.gz GQLUAPDCEWGXDY-AWEZNQCLSA-N 1 0 285.395 2.058 20 70 CEIDRO O=C(c1ccc(Br)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160585188 526662218 /nfs/dbraw/zinc/66/22/18/526662218.db2.gz RINDQBNDAPJDRE-DTORHVGOSA-N 1 0 299.168 2.009 20 70 CEIDRO Nc1cc2ccccc2cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160372435 527463928 /nfs/dbraw/zinc/46/39/28/527463928.db2.gz OQJJEHOHEWSYDB-GASCZTMLSA-N 1 0 295.386 2.389 20 70 CEIDRO CC(C)OC[C@@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159874496 528011346 /nfs/dbraw/zinc/01/13/46/528011346.db2.gz GSGKBNJCBYGFNH-ZDUSSCGKSA-N 1 0 286.441 2.182 20 70 CEIDRO CC(C)[N@H+](C)CC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159519797 528811418 /nfs/dbraw/zinc/81/14/18/528811418.db2.gz HMYTZWFEMXGHDT-UHFFFAOYSA-N 1 0 273.380 2.167 20 70 CEIDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCn2ccnc2)C1 ZINC000159860358 529233345 /nfs/dbraw/zinc/23/33/45/529233345.db2.gz STUQEOMBIDKMRE-OLZOCXBDSA-N 1 0 253.415 2.489 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1cccc(CC)c1 ZINC000159399154 344454247 /nfs/dbraw/zinc/45/42/47/344454247.db2.gz IOEISFHQFLPWCJ-OAHLLOKOSA-N 1 0 295.423 2.393 20 70 CEIDRO CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160725041 344461131 /nfs/dbraw/zinc/46/11/31/344461131.db2.gz HSPHVWQIXUWMAL-ZDUSSCGKSA-N 1 0 267.417 2.349 20 70 CEIDRO CCCCSCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160805802 344461632 /nfs/dbraw/zinc/46/16/32/344461632.db2.gz YXHWRTDIGILRDF-RYUDHWBXSA-N 1 0 258.431 2.296 20 70 CEIDRO CCCCSCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160805993 344461918 /nfs/dbraw/zinc/46/19/18/344461918.db2.gz YXHWRTDIGILRDF-NEPJUHHUSA-N 1 0 258.431 2.296 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000160737275 232252616 /nfs/dbraw/zinc/25/26/16/232252616.db2.gz SMUWPZIRDVJLKG-HIFRSBDPSA-N 1 0 260.381 2.357 20 70 CEIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000160113125 188455827 /nfs/dbraw/zinc/45/58/27/188455827.db2.gz DBXNTAAWYXSXGU-DZGCQCFKSA-N 1 0 280.387 2.272 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NCCc1c(C)cccc1C ZINC000160213685 188460193 /nfs/dbraw/zinc/46/01/93/188460193.db2.gz NFPFDDFWMKMYKL-CQSZACIVSA-N 1 0 280.437 2.043 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161260701 188517873 /nfs/dbraw/zinc/51/78/73/188517873.db2.gz VTSPFQWFTRTVSV-LSDHHAIUSA-N 1 0 292.448 2.204 20 70 CEIDRO [NH3+]Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)o1 ZINC000159380327 540081582 /nfs/dbraw/zinc/08/15/82/540081582.db2.gz KDVYANKNSDEIRI-BXKDBHETSA-N 1 0 292.285 2.302 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1 ZINC000160594148 540118935 /nfs/dbraw/zinc/11/89/35/540118935.db2.gz CCTMWEOYVQPHQP-AWEZNQCLSA-N 1 0 297.402 2.214 20 70 CEIDRO CCN(C(=O)c1ccc(C[NH3+])o1)c1nc(C)cs1 ZINC000160174837 540112839 /nfs/dbraw/zinc/11/28/39/540112839.db2.gz VDADRUXGKSVBBA-UHFFFAOYSA-N 1 0 265.338 2.170 20 70 CEIDRO CCCCOCCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000160408753 540116149 /nfs/dbraw/zinc/11/61/49/540116149.db2.gz WCGVCDTWBSHMJR-UHFFFAOYSA-N 1 0 279.384 2.474 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000160918554 540127690 /nfs/dbraw/zinc/12/76/90/540127690.db2.gz FKTCRYUIXODKHM-UWVGGRQHSA-N 1 0 296.754 2.068 20 70 CEIDRO Cc1ccccc1SCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160960751 540128678 /nfs/dbraw/zinc/12/86/78/540128678.db2.gz RZTZXNJXSYZFJW-QWHCGFSZSA-N 1 0 278.421 2.473 20 70 CEIDRO Cc1ccccc1CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161113794 540133022 /nfs/dbraw/zinc/13/30/22/540133022.db2.gz HVEUTUSZFUFVCG-HUUCEWRRSA-N 1 0 260.381 2.314 20 70 CEIDRO C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)c2ccc(F)cc2O1 ZINC000161104910 540133113 /nfs/dbraw/zinc/13/31/13/540133113.db2.gz IMGASEGUDLCOGJ-SNVBAGLBSA-N 1 0 278.327 2.211 20 70 CEIDRO Cc1oc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161328404 540136809 /nfs/dbraw/zinc/13/68/09/540136809.db2.gz JDYKVGWKNGWGJW-VXGBXAGGSA-N 1 0 250.342 2.205 20 70 CEIDRO Cc1ccccc1C1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161045157 538876491 /nfs/dbraw/zinc/87/64/91/538876491.db2.gz OBBVHLPSDLHNIT-UONOGXRCSA-N 1 0 272.392 2.413 20 70 CEIDRO CCCC[N@H+](C)CCNc1nc(C(C)C)nc(N(C)C)n1 ZINC000159711905 366941389 /nfs/dbraw/zinc/94/13/89/366941389.db2.gz NJBYFLFVAUWHTB-UHFFFAOYSA-N 1 0 294.447 2.205 20 70 CEIDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)n1 ZINC000159725952 366943349 /nfs/dbraw/zinc/94/33/49/366943349.db2.gz BWTIKYKIICYWBY-CQSZACIVSA-N 1 0 264.369 2.217 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000159389629 366909426 /nfs/dbraw/zinc/90/94/26/366909426.db2.gz JRRNYPCGQLANJU-AWEZNQCLSA-N 1 0 299.386 2.108 20 70 CEIDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cccc2c1NCC2 ZINC000159414659 366909877 /nfs/dbraw/zinc/90/98/77/366909877.db2.gz CKTRANYREBPKJI-KRWDZBQOSA-N 1 0 282.387 2.348 20 70 CEIDRO CCC1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000159428955 366912211 /nfs/dbraw/zinc/91/22/11/366912211.db2.gz BHXNSVWKQBZVLO-OAHLLOKOSA-N 1 0 290.411 2.038 20 70 CEIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc2[nH]cnc21 ZINC000159433860 366913394 /nfs/dbraw/zinc/91/33/94/366913394.db2.gz KWWJRPWEGKFTOR-GFCCVEGCSA-N 1 0 298.390 2.310 20 70 CEIDRO CCN(CC[NH2+][C@H](C)c1cnn(C)c1)C(=O)OC(C)(C)C ZINC000159461861 366916344 /nfs/dbraw/zinc/91/63/44/366916344.db2.gz NFJDGTUXZIIELT-GFCCVEGCSA-N 1 0 296.415 2.328 20 70 CEIDRO CC(C)N(C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O)C(C)C ZINC000159487989 366918393 /nfs/dbraw/zinc/91/83/93/366918393.db2.gz JBJGGYFKJFIWOK-ILXRZTDVSA-N 1 0 284.444 2.113 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159519861 366922155 /nfs/dbraw/zinc/92/21/55/366922155.db2.gz BOGNYISWLMFCLK-BFHYXJOUSA-N 1 0 290.407 2.055 20 70 CEIDRO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159538458 366924024 /nfs/dbraw/zinc/92/40/24/366924024.db2.gz WLZIUGLVFFSQNT-AWEZNQCLSA-N 1 0 294.420 2.369 20 70 CEIDRO FC(F)n1ccnc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159576529 366928374 /nfs/dbraw/zinc/92/83/74/366928374.db2.gz SJFSGENHYPNUQE-WCQGTBRESA-N 1 0 283.322 2.325 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159592269 366930051 /nfs/dbraw/zinc/93/00/51/366930051.db2.gz XOSIMPIGZODFMZ-OCCSQVGLSA-N 1 0 286.379 2.177 20 70 CEIDRO COC(=O)CCN1CC[N@H+](CC2CCC(C)CC2)[C@@H](C)C1 ZINC000159604490 366931380 /nfs/dbraw/zinc/93/13/80/366931380.db2.gz OPXFQDRKVVJDCO-PCKAHOCUSA-N 1 0 296.455 2.382 20 70 CEIDRO Cc1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159602960 366931599 /nfs/dbraw/zinc/93/15/99/366931599.db2.gz JDBHYEQXBBVMII-UPJWGTAASA-N 1 0 264.394 2.499 20 70 CEIDRO CC(C)c1ccccc1OCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000159840723 366952653 /nfs/dbraw/zinc/95/26/53/366952653.db2.gz OPAGMGCXFTVYKP-HNNXBMFYSA-N 1 0 278.396 2.288 20 70 CEIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000159854872 366953241 /nfs/dbraw/zinc/95/32/41/366953241.db2.gz PIHXKICUNNEOEX-CHWSQXEVSA-N 1 0 278.421 2.370 20 70 CEIDRO CC(C)n1cc2cc(NC(=O)[C@@H]3CCC[NH2+]3)ccc2n1 ZINC000160069212 366969893 /nfs/dbraw/zinc/96/98/93/366969893.db2.gz DGNAGVTXQIZPDJ-AWEZNQCLSA-N 1 0 272.352 2.308 20 70 CEIDRO CCn1nccc1C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000160104105 366973171 /nfs/dbraw/zinc/97/31/71/366973171.db2.gz YJNGUVDZAWIMTI-OAHLLOKOSA-N 1 0 259.353 2.035 20 70 CEIDRO O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000160099131 366973527 /nfs/dbraw/zinc/97/35/27/366973527.db2.gz CCXZJXQNTPIZHX-HNNXBMFYSA-N 1 0 288.391 2.234 20 70 CEIDRO C/C(=C/C(=O)NCCC[NH3+])c1ccccc1Cl ZINC000160147040 366976958 /nfs/dbraw/zinc/97/69/58/366976958.db2.gz WVXOKNPEFJIGLY-KTKRTIGZSA-N 1 0 252.745 2.208 20 70 CEIDRO CCCCCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160191364 366980727 /nfs/dbraw/zinc/98/07/27/366980727.db2.gz QZWVCXDLZVWGFQ-DVOMOZLQSA-N 1 0 282.428 2.215 20 70 CEIDRO CO[C@]1(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CCOC1 ZINC000160304175 366992364 /nfs/dbraw/zinc/99/23/64/366992364.db2.gz WPJHWNBSXIMTSG-ZBFHGGJFSA-N 1 0 283.412 2.263 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2c(C)onc2-c2ccccc2)C1 ZINC000160662901 367025000 /nfs/dbraw/zinc/02/50/00/367025000.db2.gz RDGHXEQOYWBCOZ-ZDUSSCGKSA-N 1 0 285.347 2.084 20 70 CEIDRO CC[C@@]1(C(=O)Nc2ccc(F)c(OC)c2)CCC[NH2+]1 ZINC000160350030 366998155 /nfs/dbraw/zinc/99/81/55/366998155.db2.gz PSGGMWQZRGLDEP-AWEZNQCLSA-N 1 0 266.316 2.305 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2C(C)(C)C)C1 ZINC000160652741 367024283 /nfs/dbraw/zinc/02/42/83/367024283.db2.gz UKMKHMSEESJHPL-CYBMUJFWSA-N 1 0 290.407 2.183 20 70 CEIDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160413446 367003910 /nfs/dbraw/zinc/00/39/10/367003910.db2.gz XVVOWBZFHNQOAK-YPMHNXCESA-N 1 0 286.379 2.261 20 70 CEIDRO CN(CC1CC[NH+](C)CC1)C(=O)N1CCCCCC1 ZINC000160562560 367017238 /nfs/dbraw/zinc/01/72/38/367017238.db2.gz QAWAGJMHLSWMFV-UHFFFAOYSA-N 1 0 267.417 2.256 20 70 CEIDRO CCCC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000160780698 367034158 /nfs/dbraw/zinc/03/41/58/367034158.db2.gz WWDAEBVYGQTKMN-KBPBESRZSA-N 1 0 252.402 2.461 20 70 CEIDRO CCc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000160804401 367035722 /nfs/dbraw/zinc/03/57/22/367035722.db2.gz FHNFGUVVSUHUGE-UHFFFAOYSA-N 1 0 260.381 2.415 20 70 CEIDRO C[C@H](CC(=O)NC[C@]1(C)CCCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000160842090 367038463 /nfs/dbraw/zinc/03/84/63/367038463.db2.gz RAZNPVMURATZAC-AIANPOQGSA-N 1 0 296.455 2.070 20 70 CEIDRO CC(C)c1nc(N[C@@H]2CCOC(C)(C)C2)nc(N(C)C)n1 ZINC000160852322 367038668 /nfs/dbraw/zinc/03/86/68/367038668.db2.gz XMLNFBKQKYGHHW-LLVKDONJSA-N 1 0 293.415 2.431 20 70 CEIDRO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cnccn1 ZINC000160868715 367040198 /nfs/dbraw/zinc/04/01/98/367040198.db2.gz WZUFYWHJMRXZSL-CYBMUJFWSA-N 1 0 270.380 2.389 20 70 CEIDRO CCc1cc(=O)[nH]c(C[N@H+](C)CCc2ccccc2)n1 ZINC000160889696 367040510 /nfs/dbraw/zinc/04/05/10/367040510.db2.gz KDTRHLYIHDUXJQ-UHFFFAOYSA-N 1 0 271.364 2.419 20 70 CEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000161346600 367079958 /nfs/dbraw/zinc/07/99/58/367079958.db2.gz DDFVUSXLWQEUCL-KBMXLJTQSA-N 1 0 274.408 2.478 20 70 CEIDRO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000161337363 367080003 /nfs/dbraw/zinc/08/00/03/367080003.db2.gz MENGREFRHAQOIG-HZSPNIEDSA-N 1 0 264.413 2.413 20 70 CEIDRO COC(=O)c1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)oc1C ZINC000161080379 367055693 /nfs/dbraw/zinc/05/56/93/367055693.db2.gz MEAOFKCAIOFQGT-KGLIPLIRSA-N 1 0 281.352 2.110 20 70 CEIDRO CO[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161342591 367080289 /nfs/dbraw/zinc/08/02/89/367080289.db2.gz ISRAEJWRLNDVDQ-JCYILVPMSA-N 1 0 290.407 2.411 20 70 CEIDRO CC[C@@H](C(=O)N[C@@H](C)COc1cccc(C)c1)[NH+](C)C ZINC000161109062 367057877 /nfs/dbraw/zinc/05/78/77/367057877.db2.gz WZVIXNMYFSUPDW-ZFWWWQNUSA-N 1 0 278.396 2.219 20 70 CEIDRO Cc1cc(NC(=O)[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000161117698 367059447 /nfs/dbraw/zinc/05/94/47/367059447.db2.gz HVGKZBVLSGTHSC-QMMMGPOBSA-N 1 0 276.258 2.222 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)NC(C)(C)c1cccc(F)c1 ZINC000161161237 367064341 /nfs/dbraw/zinc/06/43/41/367064341.db2.gz XUWQIBDJHOCSAX-GFCCVEGCSA-N 1 0 252.333 2.304 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000161219159 367068131 /nfs/dbraw/zinc/06/81/31/367068131.db2.gz GGLNWQYCCPROOO-UHFFFAOYSA-N 1 0 287.367 2.175 20 70 CEIDRO Cc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161324698 367077918 /nfs/dbraw/zinc/07/79/18/367077918.db2.gz MSFJKGDBHNEMAK-HUUCEWRRSA-N 1 0 262.397 2.446 20 70 CEIDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)C1CC1 ZINC000161490339 367090458 /nfs/dbraw/zinc/09/04/58/367090458.db2.gz WHJPJCFNXVNNPR-XHDPSFHLSA-N 1 0 296.436 2.434 20 70 CEIDRO Cc1ccc(OCCCNC(=O)NCCC[NH+](C)C)cc1 ZINC000217297879 370194100 /nfs/dbraw/zinc/19/41/00/370194100.db2.gz FEEUDNTYSGMKDS-UHFFFAOYSA-N 1 0 293.411 2.015 20 70 CEIDRO O=C(/C=C\c1ccc(Cl)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000218335693 370208419 /nfs/dbraw/zinc/20/84/19/370208419.db2.gz GZWQEAVJAOZSFM-FXWHHLEPSA-N 1 0 276.767 2.031 20 70 CEIDRO C[C@H]1C[C@@H](Nc2nnc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000160177241 395059936 /nfs/dbraw/zinc/05/99/36/395059936.db2.gz ZJURGEJTBHDMIL-BQBZGAKWSA-N 1 0 280.319 2.452 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160080589 395060024 /nfs/dbraw/zinc/06/00/24/395060024.db2.gz HCPSNUPVMPMCLJ-WKEGUHRASA-N 1 0 273.163 2.444 20 70 CEIDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)o1 ZINC000160549317 395060669 /nfs/dbraw/zinc/06/06/69/395060669.db2.gz DQIYMHDLHYKGRK-JQWIXIFHSA-N 1 0 260.341 2.154 20 70 CEIDRO COc1ccc([C@H]2CC[N@@H+](CC(OC)OC)C2)cc1 ZINC000160775760 395062132 /nfs/dbraw/zinc/06/21/32/395062132.db2.gz XVLAANTWEZXZEC-ZDUSSCGKSA-N 1 0 265.353 2.103 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000161314193 395063334 /nfs/dbraw/zinc/06/33/34/395063334.db2.gz MSCZIHFLGQNPCQ-LNSITVRQSA-N 1 0 276.380 2.137 20 70 CEIDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000161163248 395063490 /nfs/dbraw/zinc/06/34/90/395063490.db2.gz ZOYZSSSRSCOKOA-GFCCVEGCSA-N 1 0 267.417 2.443 20 70 CEIDRO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)c2ccc(F)cc2O1 ZINC000161104636 395063609 /nfs/dbraw/zinc/06/36/09/395063609.db2.gz GBUMUVZRECKOQR-ZYHUDNBSSA-N 1 0 278.327 2.082 20 70 CEIDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000217323389 153298629 /nfs/dbraw/zinc/29/86/29/153298629.db2.gz UJUSKTGCNJCDII-UONOGXRCSA-N 1 0 292.427 2.130 20 70 CEIDRO CC[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159816722 286726056 /nfs/dbraw/zinc/72/60/56/286726056.db2.gz UESAKTRRUHKKNR-HUUCEWRRSA-N 1 0 260.381 2.376 20 70 CEIDRO CC[C@H](COC)[NH2+]CCOc1ccc(F)cc1F ZINC000160093237 162323196 /nfs/dbraw/zinc/32/31/96/162323196.db2.gz PNFXMUYVZRODLN-LLVKDONJSA-N 1 0 259.296 2.358 20 70 CEIDRO CC[C@@H](C)[C@@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159750107 162313469 /nfs/dbraw/zinc/31/34/69/162313469.db2.gz PEEGACFSQGXKQT-CHWSQXEVSA-N 1 0 255.406 2.158 20 70 CEIDRO O=C(CSc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159849359 162317217 /nfs/dbraw/zinc/31/72/17/162317217.db2.gz SVKFRJYHVNRTEH-BETUJISGSA-N 1 0 276.405 2.132 20 70 CEIDRO O=C(c1nccc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159907027 162319207 /nfs/dbraw/zinc/31/92/07/162319207.db2.gz MGSWSBGIJAGOPA-OKILXGFUSA-N 1 0 281.359 2.201 20 70 CEIDRO COc1cc(C[NH2+]CC2(CO)CCCC2)cc2c1OCO2 ZINC000159910081 162320009 /nfs/dbraw/zinc/32/00/09/162320009.db2.gz DIMWGPCIOGQURF-UHFFFAOYSA-N 1 0 293.363 2.066 20 70 CEIDRO CN(Cc1cn2cc(Cl)ccc2n1)[C@H](C[NH3+])C1CC1 ZINC000159999350 162320674 /nfs/dbraw/zinc/32/06/74/162320674.db2.gz KJHRZWLPVKWOTH-CYBMUJFWSA-N 1 0 278.787 2.157 20 70 CEIDRO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000160213759 162325269 /nfs/dbraw/zinc/32/52/69/162325269.db2.gz CJIRUUADFPFTLQ-FMKPAKJESA-N 1 0 294.439 2.325 20 70 CEIDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1cnn(C)c1 ZINC000161162785 162328412 /nfs/dbraw/zinc/32/84/12/162328412.db2.gz RZLAZBWVXLJSSO-HUUCEWRRSA-N 1 0 264.417 2.335 20 70 CEIDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1cnn(C)c1 ZINC000161162521 162328736 /nfs/dbraw/zinc/32/87/36/162328736.db2.gz RZLAZBWVXLJSSO-LSDHHAIUSA-N 1 0 264.417 2.335 20 70 CEIDRO CC1(C)C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000160345714 275858302 /nfs/dbraw/zinc/85/83/02/275858302.db2.gz CESLDVMGHDIKMU-DGCLKSJQSA-N 1 0 274.364 2.015 20 70 CEIDRO CCS[C@@H]1CCCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000159766504 276509632 /nfs/dbraw/zinc/50/96/32/276509632.db2.gz NRXKXSIJMUXCSY-QWHCGFSZSA-N 1 0 270.442 2.120 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000161175076 277032196 /nfs/dbraw/zinc/03/21/96/277032196.db2.gz ONYVYGNRNGHYQJ-UONOGXRCSA-N 1 0 288.391 2.153 20 70 CEIDRO O=C([C@@H]1CSc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159419212 280108798 /nfs/dbraw/zinc/10/87/98/280108798.db2.gz QKDIACYAUGULKB-MBNYWOFBSA-N 1 0 288.416 2.229 20 70 CEIDRO CCN(CC[NH2+][C@@H](C)c1cnccn1)C(=O)OC(C)(C)C ZINC000159459416 297428875 /nfs/dbraw/zinc/42/88/75/297428875.db2.gz MNADWUNYLCCJPX-LBPRGKRZSA-N 1 0 294.399 2.384 20 70 CEIDRO CC[C@@H](C)OCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159715968 297430014 /nfs/dbraw/zinc/43/00/14/297430014.db2.gz IDOVZPQEANKHND-GFCCVEGCSA-N 1 0 270.417 2.181 20 70 CEIDRO CCCn1c(C)nnc1CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000159833657 297431004 /nfs/dbraw/zinc/43/10/04/297431004.db2.gz OZXTZLYEIIBLHS-HNNXBMFYSA-N 1 0 293.459 2.160 20 70 CEIDRO CS[C@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000160528170 297437799 /nfs/dbraw/zinc/43/77/99/297437799.db2.gz MACGJNNTLWKQSF-CHWSQXEVSA-N 1 0 272.458 2.366 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000160987045 297440107 /nfs/dbraw/zinc/44/01/07/297440107.db2.gz XRGCLWWDSXMYMP-FPMFFAJLSA-N 1 0 282.409 2.088 20 70 CEIDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CCOC1 ZINC000161141528 297442313 /nfs/dbraw/zinc/44/23/13/297442313.db2.gz NUKYGQIUGAOQPU-UONOGXRCSA-N 1 0 277.364 2.363 20 70 CEIDRO CN(C[C@@H]1CCCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160833880 312641759 /nfs/dbraw/zinc/64/17/59/312641759.db2.gz SFVRWRICIZQYDZ-INIZCTEOSA-N 1 0 290.407 2.389 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)c2ccnc(SC)c2)CC1 ZINC000160370010 519851028 /nfs/dbraw/zinc/85/10/28/519851028.db2.gz XQCRROXGJIIGST-UHFFFAOYSA-N 1 0 293.436 2.361 20 70 CEIDRO CCCCOCCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161228268 520755959 /nfs/dbraw/zinc/75/59/59/520755959.db2.gz GJCOXXXODVXXRZ-UHFFFAOYSA-N 1 0 270.417 2.230 20 70 CEIDRO CC[C@H](C)OCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000160953866 521749078 /nfs/dbraw/zinc/74/90/78/521749078.db2.gz CTFGOPJEFVFMEH-ZDUSSCGKSA-N 1 0 282.428 2.325 20 70 CEIDRO COCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160914034 522795560 /nfs/dbraw/zinc/79/55/60/522795560.db2.gz OWKMGXNYOCNQMJ-UKRRQHHQSA-N 1 0 294.439 2.134 20 70 CEIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616308 525384366 /nfs/dbraw/zinc/38/43/66/525384366.db2.gz WTIIBCWKXJNAMM-RYUDHWBXSA-N 1 0 284.363 2.197 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1CC1 ZINC000160822228 525614594 /nfs/dbraw/zinc/61/45/94/525614594.db2.gz GXIIWIXVJSQKBG-QWHCGFSZSA-N 1 0 298.390 2.190 20 70 CEIDRO CCC(CC)n1nccc1C(=O)NCC[NH+](CC)CC ZINC000160553400 528913038 /nfs/dbraw/zinc/91/30/38/528913038.db2.gz UEKIJJWTYYOWDQ-UHFFFAOYSA-N 1 0 280.416 2.316 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccc(C)cc31)CC2 ZINC000160494268 282128300 /nfs/dbraw/zinc/12/83/00/282128300.db2.gz LTQYMOSRCWSINJ-ZBFHGGJFSA-N 1 0 282.391 2.487 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NCCc1cc(F)ccc1F ZINC000159668187 344455860 /nfs/dbraw/zinc/45/58/60/344455860.db2.gz QPSQAOHCYULXTL-UHFFFAOYSA-N 1 0 270.323 2.012 20 70 CEIDRO CN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000160769410 344461066 /nfs/dbraw/zinc/46/10/66/344461066.db2.gz KRJAMSAVGPYEHI-CQSZACIVSA-N 1 0 279.428 2.445 20 70 CEIDRO Cc1cccc([C@@H]2CCCN2Cc2nncn2C)c1 ZINC000160829585 344461807 /nfs/dbraw/zinc/46/18/07/344461807.db2.gz QSMPBKPSHIBCNN-AWEZNQCLSA-N 1 0 256.353 2.461 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnc2ccccc2n1 ZINC000218317951 344536321 /nfs/dbraw/zinc/53/63/21/344536321.db2.gz KUKUHKSKGWIHHW-CYBMUJFWSA-N 1 0 272.396 2.450 20 70 CEIDRO Cc1c(C(=O)NCC2([NH3+])CCCCC2)cnn1C(C)(C)C ZINC000159465366 232247123 /nfs/dbraw/zinc/24/71/23/232247123.db2.gz DKTVIHJBQLDSHS-UHFFFAOYSA-N 1 0 292.427 2.338 20 70 CEIDRO c1cc2c(c(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159643274 188435714 /nfs/dbraw/zinc/43/57/14/188435714.db2.gz TZSZNEZAURQFCV-WQVCFCJDSA-N 1 0 287.359 2.463 20 70 CEIDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1cccs1 ZINC000160337107 188467322 /nfs/dbraw/zinc/46/73/22/188467322.db2.gz JPBDOEVDMZWQFQ-GFCCVEGCSA-N 1 0 296.436 2.079 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1C ZINC000161153039 188510962 /nfs/dbraw/zinc/51/09/62/188510962.db2.gz NFHDDBCEOHTYSP-ZDUSSCGKSA-N 1 0 296.798 2.238 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159646025 540100695 /nfs/dbraw/zinc/10/06/95/540100695.db2.gz XGUSFOWXOKSSMT-QGZVFWFLSA-N 1 0 290.407 2.149 20 70 CEIDRO CC(C)c1cc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000160148405 540112963 /nfs/dbraw/zinc/11/29/63/540112963.db2.gz JEVDPLVGBUNLTJ-WHOFXGATSA-N 1 0 291.395 2.335 20 70 CEIDRO CC[C@H](OC1CCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160794010 540123127 /nfs/dbraw/zinc/12/31/27/540123127.db2.gz WSWXQEVONQZJIC-OBJOEFQTSA-N 1 0 268.401 2.110 20 70 CEIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000160909711 540127612 /nfs/dbraw/zinc/12/76/12/540127612.db2.gz PSJXRIULYCFYMJ-KBPBESRZSA-N 1 0 298.390 2.180 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000161071170 540132553 /nfs/dbraw/zinc/13/25/53/540132553.db2.gz ZLJNHBIDBHZICV-OLZOCXBDSA-N 1 0 258.365 2.175 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000161314217 540136473 /nfs/dbraw/zinc/13/64/73/540136473.db2.gz NARNBTKQCUTGQQ-NXEZZACHSA-N 1 0 290.392 2.138 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000161316232 540136524 /nfs/dbraw/zinc/13/65/24/540136524.db2.gz FCHINPZPCJXGOR-RKDXNWHRSA-N 1 0 272.270 2.104 20 70 CEIDRO CCC[NH+]1CCC(NC(=O)c2ccc(OC)cc2F)CC1 ZINC000218621817 538750130 /nfs/dbraw/zinc/75/01/30/538750130.db2.gz SPSFHGKBZFTYDW-UHFFFAOYSA-N 1 0 294.370 2.439 20 70 CEIDRO CC[C@H](CCO)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000160105684 540445045 /nfs/dbraw/zinc/44/50/45/540445045.db2.gz SIBGDJVGRCCHJY-GFCCVEGCSA-N 1 0 282.384 2.012 20 70 CEIDRO O[C@H](C[NH2+]CCc1cccc2cccnc21)C(F)(F)F ZINC000159379308 366908066 /nfs/dbraw/zinc/90/80/66/366908066.db2.gz PCBRKPQOTYNFDS-GFCCVEGCSA-N 1 0 284.281 2.290 20 70 CEIDRO C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000159392636 366909231 /nfs/dbraw/zinc/90/92/31/366909231.db2.gz YUUJUMPQPDVCNU-RDUHTLEXSA-N 1 0 294.439 2.322 20 70 CEIDRO CCc1ccc([C@@H](NC(=O)[C@@H]([NH3+])COC)C(C)C)cc1 ZINC000159415238 366910531 /nfs/dbraw/zinc/91/05/31/366910531.db2.gz HMPRGTJAABVZMF-GJZGRUSLSA-N 1 0 278.396 2.036 20 70 CEIDRO C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1O ZINC000159424826 366911444 /nfs/dbraw/zinc/91/14/44/366911444.db2.gz CTXOXEIGBZHEIC-CJNGLKHVSA-N 1 0 271.364 2.075 20 70 CEIDRO CC[N@H+](CCOC[C@@H]1CCCO1)CCc1nccs1 ZINC000159426898 366911820 /nfs/dbraw/zinc/91/18/20/366911820.db2.gz DCPZQPBBTADQSS-ZDUSSCGKSA-N 1 0 284.425 2.203 20 70 CEIDRO COc1cccc(/C=C/C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159484757 366917726 /nfs/dbraw/zinc/91/77/26/366917726.db2.gz VKBICLWOERLMQL-CMDGGOBGSA-N 1 0 288.391 2.486 20 70 CEIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000159498250 366919244 /nfs/dbraw/zinc/91/92/44/366919244.db2.gz WOMLZZNIPSOXGP-TXEJJXNPSA-N 1 0 262.328 2.101 20 70 CEIDRO CSCCCCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000159558483 366925080 /nfs/dbraw/zinc/92/50/80/366925080.db2.gz DDILNBSMLQHIHI-UHFFFAOYSA-N 1 0 258.431 2.072 20 70 CEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159763120 366946593 /nfs/dbraw/zinc/94/65/93/366946593.db2.gz RBJXRPOROKEYLJ-KBPBESRZSA-N 1 0 269.433 2.452 20 70 CEIDRO CC[C@H](O)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000159568652 366927600 /nfs/dbraw/zinc/92/76/00/366927600.db2.gz YAPJARDXISNTDH-CABCVRRESA-N 1 0 263.381 2.303 20 70 CEIDRO C[C@H](CNc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000159579257 366928072 /nfs/dbraw/zinc/92/80/72/366928072.db2.gz NUWZOVNIGOOIGY-OAHLLOKOSA-N 1 0 289.423 2.335 20 70 CEIDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159600158 366930964 /nfs/dbraw/zinc/93/09/64/366930964.db2.gz CXKQUMXPDOPBPS-LEOABGAYSA-N 1 0 296.455 2.257 20 70 CEIDRO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159609165 366931082 /nfs/dbraw/zinc/93/10/82/366931082.db2.gz UXDPIKFXHJSGOC-KBPBESRZSA-N 1 0 290.411 2.240 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(C)c1 ZINC000159603132 366931273 /nfs/dbraw/zinc/93/12/73/366931273.db2.gz GILZHPHPCZTFJI-DZGCQCFKSA-N 1 0 260.381 2.389 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(C2CC2)CC1 ZINC000159603200 366931563 /nfs/dbraw/zinc/93/15/63/366931563.db2.gz SASMFXQGTASSSD-GFCCVEGCSA-N 1 0 267.417 2.206 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000159644674 366936181 /nfs/dbraw/zinc/93/61/81/366936181.db2.gz FCDYJGJIUMHPKR-STQMWFEESA-N 1 0 255.406 2.016 20 70 CEIDRO c1cn(CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000159801655 366949762 /nfs/dbraw/zinc/94/97/62/366949762.db2.gz YNPBDAUIOFNHDS-HNNXBMFYSA-N 1 0 299.374 2.491 20 70 CEIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000159797485 366949949 /nfs/dbraw/zinc/94/99/49/366949949.db2.gz PVFIGFXOCYQIAQ-HDMKZQKVSA-N 1 0 288.435 2.448 20 70 CEIDRO CN(CC[NH+](C)C)c1ncc(Cl)cc1Br ZINC000159809180 366950126 /nfs/dbraw/zinc/95/01/26/366950126.db2.gz ZUHOZAKTPGWMRN-UHFFFAOYSA-N 1 0 292.608 2.495 20 70 CEIDRO COCc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1 ZINC000159818187 366952086 /nfs/dbraw/zinc/95/20/86/366952086.db2.gz MAPORKBZSHCYFO-UHFFFAOYSA-N 1 0 259.353 2.165 20 70 CEIDRO O=C(c1cccc(Cl)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159813484 366952163 /nfs/dbraw/zinc/95/21/63/366952163.db2.gz ZXPXRZBHLUKHMN-UHFFFAOYSA-N 1 0 293.798 2.339 20 70 CEIDRO COc1ccc(S[C@@H](C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159930983 366959290 /nfs/dbraw/zinc/95/92/90/366959290.db2.gz AAISXCDWPMRVLN-JTQLQIEISA-N 1 0 282.409 2.029 20 70 CEIDRO CC(C)([NH3+])CNC(=O)COc1cc(Cl)ccc1Cl ZINC000159929251 366959823 /nfs/dbraw/zinc/95/98/23/366959823.db2.gz HGHOLHMALMLJHO-UHFFFAOYSA-N 1 0 291.178 2.226 20 70 CEIDRO Cc1ccc(SCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160338527 366996637 /nfs/dbraw/zinc/99/66/37/366996637.db2.gz PIXIGIBSPOWMKX-OKILXGFUSA-N 1 0 290.432 2.440 20 70 CEIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000160342139 366997348 /nfs/dbraw/zinc/99/73/48/366997348.db2.gz SBIQXJSRTVLHGP-MRXNPFEDSA-N 1 0 281.359 2.198 20 70 CEIDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)NCC(F)(F)F)CC2 ZINC000160593790 367020358 /nfs/dbraw/zinc/02/03/58/367020358.db2.gz MYUSHOHJSBGTEO-GFCCVEGCSA-N 1 0 286.297 2.250 20 70 CEIDRO CC(C)(O)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000160614829 367022470 /nfs/dbraw/zinc/02/24/70/367022470.db2.gz SSTPFDUQFCHYKU-UHFFFAOYSA-N 1 0 294.414 2.193 20 70 CEIDRO CCc1ccc(C(C)(C)C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160634989 367023756 /nfs/dbraw/zinc/02/37/56/367023756.db2.gz ZEUPDDYTAPMJTB-HNNXBMFYSA-N 1 0 274.408 2.347 20 70 CEIDRO CC(C)(O)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000160640929 367024377 /nfs/dbraw/zinc/02/43/77/367024377.db2.gz LYPFNEPMPMLBKZ-CYBMUJFWSA-N 1 0 251.395 2.378 20 70 CEIDRO CC[C@@H](COC)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160498387 367011071 /nfs/dbraw/zinc/01/10/71/367011071.db2.gz IMNPMAVSVXCJGX-KRWDZBQOSA-N 1 0 292.423 2.033 20 70 CEIDRO C[NH+](C)C[C@@H]1CCCN1C(=O)NC1CCCCC1 ZINC000160528042 367013582 /nfs/dbraw/zinc/01/35/82/367013582.db2.gz PVSAVDGHHQEJKL-ZDUSSCGKSA-N 1 0 253.390 2.055 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000160557063 367017255 /nfs/dbraw/zinc/01/72/55/367017255.db2.gz ZQMUDTCSQQJGCW-CQSZACIVSA-N 1 0 299.374 2.095 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccn1 ZINC000160850094 367038831 /nfs/dbraw/zinc/03/88/31/367038831.db2.gz YOXHFVDOIXODLY-YNEHKIRRSA-N 1 0 282.409 2.088 20 70 CEIDRO CO[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161342678 367079652 /nfs/dbraw/zinc/07/96/52/367079652.db2.gz ISRAEJWRLNDVDQ-OFLPRAFFSA-N 1 0 290.407 2.411 20 70 CEIDRO CC(C)Oc1c(Cl)cccc1NC(=O)CC[NH3+] ZINC000160922114 367043836 /nfs/dbraw/zinc/04/38/36/367043836.db2.gz VEFDAZUPWASHNY-UHFFFAOYSA-N 1 0 256.733 2.415 20 70 CEIDRO CCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160975699 367047349 /nfs/dbraw/zinc/04/73/49/367047349.db2.gz SUYOPRPVAPOKEW-ZDUSSCGKSA-N 1 0 255.406 2.158 20 70 CEIDRO COC(=O)c1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2O)oc1C ZINC000161080517 367055108 /nfs/dbraw/zinc/05/51/08/367055108.db2.gz MEAOFKCAIOFQGT-KBPBESRZSA-N 1 0 281.352 2.110 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000161102111 367058275 /nfs/dbraw/zinc/05/82/75/367058275.db2.gz BGPDSTWHLMYZLN-CABCVRRESA-N 1 0 294.370 2.114 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cccc2c1OCCCO2 ZINC000161124962 367059611 /nfs/dbraw/zinc/05/96/11/367059611.db2.gz CKQNMLWWOKXONT-NSHDSACASA-N 1 0 265.353 2.097 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000161149626 367062243 /nfs/dbraw/zinc/06/22/43/367062243.db2.gz CIHBQPUEJVKXJL-LBPRGKRZSA-N 1 0 259.353 2.121 20 70 CEIDRO CO[C@@H]1CCN(CCSc2ccccc2)[C@H](C[NH3+])C1 ZINC000161170858 367064178 /nfs/dbraw/zinc/06/41/78/367064178.db2.gz FLQIMKZDQOGPRP-UONOGXRCSA-N 1 0 280.437 2.217 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)c1cccc(OC)c1 ZINC000161197266 367066517 /nfs/dbraw/zinc/06/65/17/367066517.db2.gz OMTUEHQBGASVFR-TZMCWYRMSA-N 1 0 276.380 2.009 20 70 CEIDRO CC[NH+](CC)CC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160684357 367026674 /nfs/dbraw/zinc/02/66/74/367026674.db2.gz PJUVBYQKQHGEJH-UHFFFAOYSA-N 1 0 297.468 2.441 20 70 CEIDRO COc1cccc(N2CC[NH+](CC3=CCCOC3)CC2)c1 ZINC000160693118 367028659 /nfs/dbraw/zinc/02/86/59/367028659.db2.gz DOXXOOJMZQNNPE-UHFFFAOYSA-N 1 0 288.391 2.164 20 70 CEIDRO Cc1ccc(SCC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000160753024 367031537 /nfs/dbraw/zinc/03/15/37/367031537.db2.gz ILMDKZWWZZFXDE-UHFFFAOYSA-N 1 0 293.436 2.220 20 70 CEIDRO CCOc1ccccc1C[NH2+]Cc1cnn(C)c1C ZINC000160752937 367031668 /nfs/dbraw/zinc/03/16/68/367031668.db2.gz HRYSEYGNJKILTO-UHFFFAOYSA-N 1 0 259.353 2.417 20 70 CEIDRO c1cc2c(c(CN[C@H]3CC[N@@H+]4CCCC[C@@H]34)c1)OCO2 ZINC000218480758 370210118 /nfs/dbraw/zinc/21/01/18/370210118.db2.gz PJEXWCWZAIHOGK-KBPBESRZSA-N 1 0 274.364 2.132 20 70 CEIDRO COc1ccc(CNC[C@@H](C)[N@H+](C)C2CC2)c(F)c1 ZINC000218606553 370211508 /nfs/dbraw/zinc/21/15/08/370211508.db2.gz GWEWCMVJQXPNFH-LLVKDONJSA-N 1 0 266.360 2.407 20 70 CEIDRO COc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)cc1N ZINC000161173186 249319589 /nfs/dbraw/zinc/31/95/89/249319589.db2.gz LUMIXRRHCITVTO-UHFFFAOYSA-N 1 0 291.395 2.336 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@]1(C)CCCS1 ZINC000160235683 284762440 /nfs/dbraw/zinc/76/24/40/284762440.db2.gz AALMXUUIQRPITJ-JSGCOSHPSA-N 1 0 287.473 2.302 20 70 CEIDRO C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160022659 296338159 /nfs/dbraw/zinc/33/81/59/296338159.db2.gz AOIRBLZQBRUXKX-NLIDSEJHSA-N 1 0 294.439 2.214 20 70 CEIDRO CC(C)C[C@@H](C)OCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159404707 395058414 /nfs/dbraw/zinc/05/84/14/395058414.db2.gz MIQJKTBRFUDMHD-KFWWJZLASA-N 1 0 282.428 2.181 20 70 CEIDRO C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1O ZINC000159401774 395058615 /nfs/dbraw/zinc/05/86/15/395058615.db2.gz FJGDYPSBTYKXHB-IPYPFGDCSA-N 1 0 261.365 2.255 20 70 CEIDRO CC(C)[C@@H]([NH2+]CCC(C)(C)O)c1nnc2ccccn21 ZINC000159608233 395058711 /nfs/dbraw/zinc/05/87/11/395058711.db2.gz RZZFCCAPYKPUNW-CYBMUJFWSA-N 1 0 276.384 2.177 20 70 CEIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C1([NH3+])CC1 ZINC000161199522 395063401 /nfs/dbraw/zinc/06/34/01/395063401.db2.gz RFJLNOWSJJFIME-UHFFFAOYSA-N 1 0 298.390 2.103 20 70 CEIDRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000161225571 395063435 /nfs/dbraw/zinc/06/34/35/395063435.db2.gz KLJNFSQOVPVRKF-GRAKBVBRSA-N 1 0 294.439 2.182 20 70 CEIDRO CNC(=O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000218603565 153303846 /nfs/dbraw/zinc/30/38/46/153303846.db2.gz NFZGUFSIZRXSMW-UHFFFAOYSA-N 1 0 268.360 2.154 20 70 CEIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(=O)NC(C)C ZINC000160927915 292337624 /nfs/dbraw/zinc/33/76/24/292337624.db2.gz JPOLXBHTVPGXPH-CQSZACIVSA-N 1 0 276.380 2.323 20 70 CEIDRO CC(C)(CNC(=O)C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000159707417 162313142 /nfs/dbraw/zinc/31/31/42/162313142.db2.gz YHMBHIOUSQSSFZ-CQSZACIVSA-N 1 0 278.371 2.362 20 70 CEIDRO CN(Cc1cnn(-c2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000159762163 162314025 /nfs/dbraw/zinc/31/40/25/162314025.db2.gz FJLOBZVQJOLPTK-INIZCTEOSA-N 1 0 270.380 2.041 20 70 CEIDRO CC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000159808079 162314794 /nfs/dbraw/zinc/31/47/94/162314794.db2.gz NNTBPTMXEWIFBS-UHFFFAOYSA-N 1 0 250.386 2.167 20 70 CEIDRO CCc1nn(C)c(CC)c1CNC[C@H](C)[NH+](CC)CC ZINC000159847741 162315409 /nfs/dbraw/zinc/31/54/09/162315409.db2.gz IDQARZYMOYJBRU-ZDUSSCGKSA-N 1 0 280.460 2.365 20 70 CEIDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159828287 162315434 /nfs/dbraw/zinc/31/54/34/162315434.db2.gz PXTJCYOUKZCSDN-DLBZAZTESA-N 1 0 290.455 2.470 20 70 CEIDRO COCC[N@H+](C)CCCNC(=O)[C@H](C)c1cccc(C)c1 ZINC000159800445 162317163 /nfs/dbraw/zinc/31/71/63/162317163.db2.gz DYVIBEXGKSWGPH-OAHLLOKOSA-N 1 0 292.423 2.183 20 70 CEIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])nc2ccccc12 ZINC000160160325 162321979 /nfs/dbraw/zinc/32/19/79/162321979.db2.gz XTVGFWOMDMECJD-GFCCVEGCSA-N 1 0 269.348 2.107 20 70 CEIDRO CC(=O)Nc1ccccc1C[NH2+]CC1(CO)CCCC1 ZINC000160123533 162324275 /nfs/dbraw/zinc/32/42/75/162324275.db2.gz HJJKPWYOZAHRNB-UHFFFAOYSA-N 1 0 276.380 2.287 20 70 CEIDRO CC(C)([NH3+])CNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000159940544 275863067 /nfs/dbraw/zinc/86/30/67/275863067.db2.gz JGRABDFGJRBCRT-INIZCTEOSA-N 1 0 260.381 2.134 20 70 CEIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161138513 278197957 /nfs/dbraw/zinc/19/79/57/278197957.db2.gz LGNJTVIARYCQBU-DGCLKSJQSA-N 1 0 296.798 2.366 20 70 CEIDRO C[C@H]1CCc2sc(C(=O)N3CCC[C@@H]3C[NH3+])cc2C1 ZINC000160167727 278390337 /nfs/dbraw/zinc/39/03/37/278390337.db2.gz VWEYHTQTINNOPZ-CMPLNLGQSA-N 1 0 278.421 2.436 20 70 CEIDRO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159883361 279023308 /nfs/dbraw/zinc/02/33/08/279023308.db2.gz AQVIIOVRCOMJFQ-KYOSRNDESA-N 1 0 258.365 2.036 20 70 CEIDRO CCn1nccc1CN1CC[NH2+]Cc2ccccc21 ZINC000160227374 288763396 /nfs/dbraw/zinc/76/33/96/288763396.db2.gz IWFAFCHCPQJWFT-UHFFFAOYSA-N 1 0 256.353 2.013 20 70 CEIDRO CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000159381102 297428615 /nfs/dbraw/zinc/42/86/15/297428615.db2.gz BNFDCCKEJSTASX-QWHCGFSZSA-N 1 0 285.457 2.183 20 70 CEIDRO CC[C@H](C)OCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159776508 297430920 /nfs/dbraw/zinc/43/09/20/297430920.db2.gz NJBOZFVPQLDSIK-KBPBESRZSA-N 1 0 270.417 2.040 20 70 CEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C[C@@H]1OC ZINC000160102606 297432985 /nfs/dbraw/zinc/43/29/85/297432985.db2.gz ISMACLKWPBSAHA-MCIONIFRSA-N 1 0 282.428 2.179 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159773657 312634310 /nfs/dbraw/zinc/63/43/10/312634310.db2.gz YQGOIUYSFUIEDR-JSGCOSHPSA-N 1 0 296.386 2.473 20 70 CEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cnn(C)c1 ZINC000160908269 519720786 /nfs/dbraw/zinc/72/07/86/519720786.db2.gz VCOUJZIKRGCOBR-CQSZACIVSA-N 1 0 293.415 2.052 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000160386004 519850854 /nfs/dbraw/zinc/85/08/54/519850854.db2.gz GDYVFCSGVYJPSW-UHFFFAOYSA-N 1 0 294.370 2.392 20 70 CEIDRO COc1cc(OC)cc([C@H]2CC[N@@H+](CC(OC)OC)C2)c1 ZINC000161478822 522887152 /nfs/dbraw/zinc/88/71/52/522887152.db2.gz NNCSBBWBGCWXEL-LBPRGKRZSA-N 1 0 295.379 2.112 20 70 CEIDRO C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000161337488 524127049 /nfs/dbraw/zinc/12/70/49/524127049.db2.gz MENGREFRHAQOIG-MELADBBJSA-N 1 0 264.413 2.413 20 70 CEIDRO C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160806481 524201562 /nfs/dbraw/zinc/20/15/62/524201562.db2.gz IBSHFVMFMGVMCU-KGLIPLIRSA-N 1 0 279.428 2.445 20 70 CEIDRO Cc1csc(N2CCC([NH2+]C3CCN(C)CC3)CC2)n1 ZINC000161441919 526376886 /nfs/dbraw/zinc/37/68/86/526376886.db2.gz BVGUGZARNGUKLE-UHFFFAOYSA-N 1 0 294.468 2.104 20 70 CEIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCOC1 ZINC000160966024 527175585 /nfs/dbraw/zinc/17/55/85/527175585.db2.gz XBLPVRPAGZQIEN-ZDUSSCGKSA-N 1 0 259.353 2.111 20 70 CEIDRO CC(C)S(=O)(=O)CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160477156 528297168 /nfs/dbraw/zinc/29/71/68/528297168.db2.gz UARLQSHYORUSIB-STQMWFEESA-N 1 0 261.431 2.178 20 70 CEIDRO CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000160935989 574512899 /nfs/dbraw/zinc/51/28/99/574512899.db2.gz JPOFHGGXRZJMMD-QWHCGFSZSA-N 1 0 292.379 2.094 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC000160372180 282119390 /nfs/dbraw/zinc/11/93/90/282119390.db2.gz FQJLVCZGIJWIOG-ZFWWWQNUSA-N 1 0 268.364 2.178 20 70 CEIDRO C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000218300260 539286690 /nfs/dbraw/zinc/28/66/90/539286690.db2.gz ABQCDCCUTHFRDU-UWVGGRQHSA-N 1 0 271.202 2.317 20 70 CEIDRO FC(F)(F)c1nnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000160156780 344457577 /nfs/dbraw/zinc/45/75/77/344457577.db2.gz IKOIUAKHJOBJKW-ZETCQYMHSA-N 1 0 292.330 2.453 20 70 CEIDRO CCn1c(C)cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161345976 232254312 /nfs/dbraw/zinc/25/43/12/232254312.db2.gz WZOABLGYPAKYAI-CHWSQXEVSA-N 1 0 263.385 2.125 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000159381164 232247084 /nfs/dbraw/zinc/24/70/84/232247084.db2.gz SGBOTYCMZJBTLF-RISCZKNCSA-N 1 0 294.345 2.327 20 70 CEIDRO Cc1ccc(CSCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160372524 232250617 /nfs/dbraw/zinc/25/06/17/232250617.db2.gz DWMSUHSNNUXRBK-CQSZACIVSA-N 1 0 278.421 2.178 20 70 CEIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000160283664 232250783 /nfs/dbraw/zinc/25/07/83/232250783.db2.gz SLVCDLNSZPPDTM-DGCLKSJQSA-N 1 0 297.420 2.222 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159803788 188441787 /nfs/dbraw/zinc/44/17/87/188441787.db2.gz XKFLUVJTOMARKK-SGMGOOAPSA-N 1 0 278.371 2.386 20 70 CEIDRO CC(C)N(C(=O)CN(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000160045682 188452618 /nfs/dbraw/zinc/45/26/18/188452618.db2.gz RPOXFMFKNACYKW-INIZCTEOSA-N 1 0 289.423 2.097 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)CCCCSC)CC1 ZINC000161029397 188503945 /nfs/dbraw/zinc/50/39/45/188503945.db2.gz SXZXOLVPGMRPFV-UHFFFAOYSA-N 1 0 272.458 2.368 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2occc2Br)C1 ZINC000161026679 540131089 /nfs/dbraw/zinc/13/10/89/540131089.db2.gz IMJNXBYCNNTRMM-YUMQZZPRSA-N 1 0 287.157 2.042 20 70 CEIDRO [NH3+]C1(CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000161070473 540132438 /nfs/dbraw/zinc/13/24/38/540132438.db2.gz QNWVMDBPTZUAQZ-QWHCGFSZSA-N 1 0 250.386 2.343 20 70 CEIDRO COc1cccc(SCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161322305 540136904 /nfs/dbraw/zinc/13/69/04/540136904.db2.gz MHEJRNPQVGEJFL-NWDGAFQWSA-N 1 0 294.420 2.173 20 70 CEIDRO COc1cccc(SCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161322665 540136952 /nfs/dbraw/zinc/13/69/52/540136952.db2.gz MHEJRNPQVGEJFL-NEPJUHHUSA-N 1 0 294.420 2.173 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC000161381499 540137418 /nfs/dbraw/zinc/13/74/18/540137418.db2.gz HZTZZSQVQPWIAQ-KGLIPLIRSA-N 1 0 276.380 2.232 20 70 CEIDRO Cc1c(Cl)cccc1OCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161459733 540138231 /nfs/dbraw/zinc/13/82/31/540138231.db2.gz KSPQYYVNAFRZRB-NWDGAFQWSA-N 1 0 296.798 2.413 20 70 CEIDRO CCc1cccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000159458201 540407762 /nfs/dbraw/zinc/40/77/62/540407762.db2.gz BCUVHWNJDGAJBI-SJORKVTESA-N 1 0 286.419 2.487 20 70 CEIDRO NC(=O)[C@@H]([NH2+]C1CC=CC1)c1ccc(Br)cc1 ZINC000160895086 540677095 /nfs/dbraw/zinc/67/70/95/540677095.db2.gz PRTAWKDCVZNLBC-LBPRGKRZSA-N 1 0 295.180 2.284 20 70 CEIDRO Cc1ccccc1OCC[N@H+](C)CCCCS(C)(=O)=O ZINC000161297699 540768422 /nfs/dbraw/zinc/76/84/22/540768422.db2.gz AKIGXILCVLDKJL-UHFFFAOYSA-N 1 0 299.436 2.130 20 70 CEIDRO COc1ccc(C[NH2+]CC2(CO)CCCCC2)cn1 ZINC000161350054 540791897 /nfs/dbraw/zinc/79/18/97/540791897.db2.gz LTOVGMLQILULKD-UHFFFAOYSA-N 1 0 264.369 2.123 20 70 CEIDRO COc1cccc(CCC[NH+]2CCN(C3CC3)CC2)c1 ZINC000159716982 366941634 /nfs/dbraw/zinc/94/16/34/366941634.db2.gz WTURLYCMJPKRCQ-UHFFFAOYSA-N 1 0 274.408 2.408 20 70 CEIDRO CN(C)c1ccccc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159744430 366944282 /nfs/dbraw/zinc/94/42/82/366944282.db2.gz YQRFJBBAWXQLIK-ZBFHGGJFSA-N 1 0 262.397 2.345 20 70 CEIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC1CCOCC1 ZINC000159735839 366945106 /nfs/dbraw/zinc/94/51/06/366945106.db2.gz AIAWKLBHOLYNEI-HNNXBMFYSA-N 1 0 299.459 2.031 20 70 CEIDRO C[C@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159374591 366907921 /nfs/dbraw/zinc/90/79/21/366907921.db2.gz HLGFFASEDYMUTE-RHSMWYFYSA-N 1 0 272.392 2.392 20 70 CEIDRO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159428869 366911965 /nfs/dbraw/zinc/91/19/65/366911965.db2.gz YGMFJWUOMXZVNZ-MGPQQGTHSA-N 1 0 292.423 2.127 20 70 CEIDRO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)c(F)c1 ZINC000159478448 366917788 /nfs/dbraw/zinc/91/77/88/366917788.db2.gz STDWZDMGLCKYNC-LBPRGKRZSA-N 1 0 294.370 2.497 20 70 CEIDRO CC[NH+]1CCC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000159485808 366918572 /nfs/dbraw/zinc/91/85/72/366918572.db2.gz KXYQPTAIQGXXPC-LLVKDONJSA-N 1 0 292.427 2.121 20 70 CEIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159515094 366921408 /nfs/dbraw/zinc/92/14/08/366921408.db2.gz WHJVGXYNEIEXAL-KCXAZCMYSA-N 1 0 289.375 2.448 20 70 CEIDRO CCC[C@@H](O)C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000159559242 366925099 /nfs/dbraw/zinc/92/50/99/366925099.db2.gz WSFJUEDVLMSVST-LSDHHAIUSA-N 1 0 263.381 2.303 20 70 CEIDRO COc1c(C)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159567505 366927083 /nfs/dbraw/zinc/92/70/83/366927083.db2.gz RKZTYUGUODBRRU-DZGCQCFKSA-N 1 0 290.407 2.398 20 70 CEIDRO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159604688 366931205 /nfs/dbraw/zinc/93/12/05/366931205.db2.gz GJFXUDWGRDZNSS-HSRYQADGSA-N 1 0 288.391 2.294 20 70 CEIDRO c1cc2c(c(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159643398 366935360 /nfs/dbraw/zinc/93/53/60/366935360.db2.gz TZSZNEZAURQFCV-KCXAZCMYSA-N 1 0 287.359 2.463 20 70 CEIDRO Cc1ccc(C(=O)CCN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000159670883 366937300 /nfs/dbraw/zinc/93/73/00/366937300.db2.gz ZOSAEHKXXKPPSI-OAHLLOKOSA-N 1 0 274.408 2.451 20 70 CEIDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000159813739 366950772 /nfs/dbraw/zinc/95/07/72/366950772.db2.gz LXFMGKZNQKWMJT-KGLIPLIRSA-N 1 0 275.396 2.449 20 70 CEIDRO CCC[C@@H](CC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159777027 366947916 /nfs/dbraw/zinc/94/79/16/366947916.db2.gz HUOGIMWHWAPOJG-CYBMUJFWSA-N 1 0 255.406 2.302 20 70 CEIDRO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159790617 366948068 /nfs/dbraw/zinc/94/80/68/366948068.db2.gz JWJNYWWKAFKBJA-BXUZGUMPSA-N 1 0 276.380 2.490 20 70 CEIDRO CC[C@H](COC)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159833083 366953723 /nfs/dbraw/zinc/95/37/23/366953723.db2.gz LXKXXJKEBRKTDA-RHSMWYFYSA-N 1 0 276.424 2.448 20 70 CEIDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)s1 ZINC000159859443 366955231 /nfs/dbraw/zinc/95/52/31/366955231.db2.gz ONWZSCDCZYTFLU-JQWIXIFHSA-N 1 0 283.393 2.128 20 70 CEIDRO C[C@H]([NH3+])C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000159974198 366962177 /nfs/dbraw/zinc/96/21/77/366962177.db2.gz ZYGIELGLTUQUIM-LURJTMIESA-N 1 0 280.221 2.053 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccnc(Cl)c1F ZINC000159973923 366962342 /nfs/dbraw/zinc/96/23/42/366962342.db2.gz PBCZLZONQMGBQW-SECBINFHSA-N 1 0 287.766 2.334 20 70 CEIDRO CN(Cc1ccc(-n2cccn2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160061260 366970402 /nfs/dbraw/zinc/97/04/02/366970402.db2.gz GZCLPPILKPGZLD-MRXNPFEDSA-N 1 0 270.380 2.041 20 70 CEIDRO CN(Cc1ccn(-c2ccccc2)n1)[C@@H](C[NH3+])C1CC1 ZINC000160112462 366974768 /nfs/dbraw/zinc/97/47/68/366974768.db2.gz JQHHCONEXNLWJM-INIZCTEOSA-N 1 0 270.380 2.041 20 70 CEIDRO CCC1(CC)[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)C[C@H]1OC ZINC000160112459 366975200 /nfs/dbraw/zinc/97/52/00/366975200.db2.gz NGBSMTBMICOVEA-KFWWJZLASA-N 1 0 290.407 2.396 20 70 CEIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000160333638 366996752 /nfs/dbraw/zinc/99/67/52/366996752.db2.gz FMQDCFIBNLWYDF-YUELXQCFSA-N 1 0 296.455 2.474 20 70 CEIDRO CCc1cccc(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160142797 366976742 /nfs/dbraw/zinc/97/67/42/366976742.db2.gz MZAAYAYOTBHZLN-INIZCTEOSA-N 1 0 286.419 2.392 20 70 CEIDRO Cc1nnc(CN2CCC[C@@H]2c2cccc(C)n2)n1C ZINC000160172553 366979423 /nfs/dbraw/zinc/97/94/23/366979423.db2.gz LFZXAISHVDOSGL-CQSZACIVSA-N 1 0 271.368 2.164 20 70 CEIDRO CSc1cc2c(cc1C[NH2+][C@]1(C)CCOC1)OCCO2 ZINC000160184925 366980755 /nfs/dbraw/zinc/98/07/55/366980755.db2.gz PKIVWTLMZUPILE-OAHLLOKOSA-N 1 0 295.404 2.448 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)CCSc2ccccc2Cl)C1 ZINC000160201076 366982720 /nfs/dbraw/zinc/98/27/20/366982720.db2.gz HMWHVVILAGUTPF-SNVBAGLBSA-N 1 0 284.812 2.382 20 70 CEIDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCSCC)C1 ZINC000160219366 366984372 /nfs/dbraw/zinc/98/43/72/366984372.db2.gz VMODMUKHVDKHME-ZDUSSCGKSA-N 1 0 272.458 2.368 20 70 CEIDRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000160242189 366986493 /nfs/dbraw/zinc/98/64/93/366986493.db2.gz LQZJCQYOUXVDRV-ZDUSSCGKSA-N 1 0 282.428 2.038 20 70 CEIDRO NC(=[NH2+])NCc1ccc(Br)cc1C(F)(F)F ZINC000160331861 366994577 /nfs/dbraw/zinc/99/45/77/366994577.db2.gz WVDIJRKWIFGEPT-UHFFFAOYSA-N 1 0 296.090 2.451 20 70 CEIDRO CC[C@](C)(CO)[NH2+]Cc1cncc(Br)c1 ZINC000160581036 367019549 /nfs/dbraw/zinc/01/95/49/367019549.db2.gz JICACVJCBJPMEQ-LLVKDONJSA-N 1 0 273.174 2.095 20 70 CEIDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)O)c(C)c1 ZINC000160613901 367022790 /nfs/dbraw/zinc/02/27/90/367022790.db2.gz NWZMKCXKMSDRTE-ZDUSSCGKSA-N 1 0 278.396 2.381 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(C(C)(C)C)c1C ZINC000160414995 367003695 /nfs/dbraw/zinc/00/36/95/367003695.db2.gz DFRQZGPKEUPNIW-UHFFFAOYSA-N 1 0 280.416 2.194 20 70 CEIDRO COc1ccccc1CN(C)Cc1ccc(CO)o1 ZINC000160420257 367005703 /nfs/dbraw/zinc/00/57/03/367005703.db2.gz VODDIVVAAHHXRP-UHFFFAOYSA-N 1 0 261.321 2.413 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cnn(CC(C)C)c1C ZINC000160501580 367011134 /nfs/dbraw/zinc/01/11/34/367011134.db2.gz MHNFFOUMVCIXLA-ZDUSSCGKSA-N 1 0 294.443 2.308 20 70 CEIDRO CCCCOCCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000160508706 367011903 /nfs/dbraw/zinc/01/19/03/367011903.db2.gz SFAAICFRCWXKNU-KGLIPLIRSA-N 1 0 270.417 2.217 20 70 CEIDRO CC(C)OC(=O)[C@@H]1CCCN1Cc1cnc2ccccn12 ZINC000160505208 367012606 /nfs/dbraw/zinc/01/26/06/367012606.db2.gz PPPDKUTYWZNCOX-AWEZNQCLSA-N 1 0 287.363 2.250 20 70 CEIDRO [NH3+][C@@H]1CC[C@@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 ZINC000160524074 367014228 /nfs/dbraw/zinc/01/42/28/367014228.db2.gz ZNKBZHMLVSLQDZ-ZWNOBZJWSA-N 1 0 262.328 2.058 20 70 CEIDRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000160556722 367016421 /nfs/dbraw/zinc/01/64/21/367016421.db2.gz BITBXXWBRJNJRX-AWEZNQCLSA-N 1 0 265.401 2.153 20 70 CEIDRO CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)CCC[NH3+] ZINC000160832625 367037127 /nfs/dbraw/zinc/03/71/27/367037127.db2.gz BBRYXHWGKLDVHE-HNNXBMFYSA-N 1 0 296.386 2.083 20 70 CEIDRO CCc1nc(C)c([C@H](C)[NH2+]CC(=O)NC(C)C)s1 ZINC000160911003 367043106 /nfs/dbraw/zinc/04/31/06/367043106.db2.gz WCTXSTOQGJANOZ-VIFPVBQESA-N 1 0 269.414 2.189 20 70 CEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC1 ZINC000160923899 367043585 /nfs/dbraw/zinc/04/35/85/367043585.db2.gz GSVKWALDHNGODA-AWEZNQCLSA-N 1 0 267.417 2.301 20 70 CEIDRO CC(C)[NH2+]CCC(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000161073690 367053854 /nfs/dbraw/zinc/05/38/54/367053854.db2.gz FXLLUYMCYIMMFJ-UHFFFAOYSA-N 1 0 290.342 2.338 20 70 CEIDRO CC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000161085997 367055299 /nfs/dbraw/zinc/05/52/99/367055299.db2.gz IJYWEWPHTFBNCL-VWYCJHECSA-N 1 0 293.392 2.205 20 70 CEIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000161095829 367056864 /nfs/dbraw/zinc/05/68/64/367056864.db2.gz NOSYIKJBMCBZLW-RYUDHWBXSA-N 1 0 266.410 2.185 20 70 CEIDRO CCC(CC)c1cc(CNC(=O)[C@@H]2CCCC[NH2+]2)on1 ZINC000161110580 367057426 /nfs/dbraw/zinc/05/74/26/367057426.db2.gz JJUPCRBNFWTQJJ-ZDUSSCGKSA-N 1 0 279.384 2.337 20 70 CEIDRO C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Sc1ccccc1 ZINC000161117323 367059621 /nfs/dbraw/zinc/05/96/21/367059621.db2.gz PWMMXIGWEHMPNO-DOMZBBRYSA-N 1 0 278.421 2.283 20 70 CEIDRO CC(C)(CNC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000161197602 367067297 /nfs/dbraw/zinc/06/72/97/367067297.db2.gz SWVCABSSPILPPK-GFCCVEGCSA-N 1 0 278.371 2.219 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccccc1OC(F)F ZINC000161252189 367071401 /nfs/dbraw/zinc/07/14/01/367071401.db2.gz KNYFEYCVYOZOCI-GFCCVEGCSA-N 1 0 298.333 2.041 20 70 CEIDRO CCO[C@H]1C[C@H](N(C)C(=O)C(CC)(CC)C[NH3+])C1(C)C ZINC000161240769 367071624 /nfs/dbraw/zinc/07/16/24/367071624.db2.gz LWWOENCYZZLXAP-STQMWFEESA-N 1 0 284.444 2.414 20 70 CEIDRO CC[C@@H](C(=O)Nc1ccc(SC)nc1)[NH+](C)C ZINC000161278750 367074453 /nfs/dbraw/zinc/07/44/53/367074453.db2.gz YJDGKDPMSLQVHZ-JTQLQIEISA-N 1 0 253.371 2.082 20 70 CEIDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)ncn1 ZINC000161308333 367077033 /nfs/dbraw/zinc/07/70/33/367077033.db2.gz DBFHXMXRRSDICM-UHFFFAOYSA-N 1 0 298.390 2.037 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1cc(C)ccc1F ZINC000161394191 367083621 /nfs/dbraw/zinc/08/36/21/367083621.db2.gz PGNYSAJNCAQJIC-ZDUSSCGKSA-N 1 0 296.386 2.359 20 70 CEIDRO COc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1Cl ZINC000161493723 367090344 /nfs/dbraw/zinc/09/03/44/367090344.db2.gz BPGUQFBWHLJWNK-UHFFFAOYSA-N 1 0 296.798 2.355 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC)c(O)c1 ZINC000217377978 370195387 /nfs/dbraw/zinc/19/53/87/370195387.db2.gz NXIDSOWHUHAJNJ-GFCCVEGCSA-N 1 0 266.385 2.221 20 70 CEIDRO C[C@@H](CNc1ccc(C(F)(F)F)nn1)[N@H+](C)C1CC1 ZINC000218004207 370203593 /nfs/dbraw/zinc/20/35/93/370203593.db2.gz DLSWVDOYHKRJAC-QMMMGPOBSA-N 1 0 274.290 2.390 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000159401152 395058702 /nfs/dbraw/zinc/05/87/02/395058702.db2.gz FYKXYVSGTIMUFD-ZDUSSCGKSA-N 1 0 297.418 2.121 20 70 CEIDRO CC(C)(O)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000160641067 395062194 /nfs/dbraw/zinc/06/21/94/395062194.db2.gz LYPFNEPMPMLBKZ-ZDUSSCGKSA-N 1 0 251.395 2.378 20 70 CEIDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000218010784 153295567 /nfs/dbraw/zinc/29/55/67/153295567.db2.gz NXJSXNKVJKGYKV-GZBFAFLISA-N 1 0 278.396 2.213 20 70 CEIDRO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1O ZINC000217909053 153298967 /nfs/dbraw/zinc/29/89/67/153298967.db2.gz SHPTURMHGWGCEC-ZFWWWQNUSA-N 1 0 290.407 2.459 20 70 CEIDRO CC[C@H](C)[C@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159750481 162313882 /nfs/dbraw/zinc/31/38/82/162313882.db2.gz PEEGACFSQGXKQT-STQMWFEESA-N 1 0 255.406 2.158 20 70 CEIDRO CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159973596 162319747 /nfs/dbraw/zinc/31/97/47/162319747.db2.gz LUHKOAYYUMUAOH-ZIAGYGMSSA-N 1 0 267.417 2.302 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCO)CSC)CC2 ZINC000160220095 162325408 /nfs/dbraw/zinc/32/54/08/162325408.db2.gz FUEWKLMVJTUOPR-DOMZBBRYSA-N 1 0 281.421 2.386 20 70 CEIDRO Cc1ccc(C(=O)CC[N@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000160327536 162328453 /nfs/dbraw/zinc/32/84/53/162328453.db2.gz UYWHXYVHYAYYJI-UHFFFAOYSA-N 1 0 276.380 2.154 20 70 CEIDRO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000160762068 287393230 /nfs/dbraw/zinc/39/32/30/287393230.db2.gz WFNCNYWKSKFDDN-XJKSGUPXSA-N 1 0 284.444 2.020 20 70 CEIDRO CO[C@]1(C[NH2+][C@@H](C)CCc2ccc(O)cc2)CCOC1 ZINC000160140065 277778500 /nfs/dbraw/zinc/77/85/00/277778500.db2.gz USQBSGLGKRHQAA-BBRMVZONSA-N 1 0 279.380 2.108 20 70 CEIDRO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)c2ccc(F)cc2O1 ZINC000161103228 278640766 /nfs/dbraw/zinc/64/07/66/278640766.db2.gz QSKMXCLQULROHA-LLVKDONJSA-N 1 0 292.354 2.329 20 70 CEIDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159496056 278874889 /nfs/dbraw/zinc/87/48/89/278874889.db2.gz SRIISJZOUNWYQH-TZMCWYRMSA-N 1 0 299.436 2.292 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000160474246 279143676 /nfs/dbraw/zinc/14/36/76/279143676.db2.gz KFWHXLHCSBYHMT-GMXVVIOVSA-N 1 0 262.401 2.316 20 70 CEIDRO COc1cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cc2c1OCO2 ZINC000159980937 294982094 /nfs/dbraw/zinc/98/20/94/294982094.db2.gz AGFYDPQVMWRJQW-DGCLKSJQSA-N 1 0 292.379 2.126 20 70 CEIDRO CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000159381501 297428609 /nfs/dbraw/zinc/42/86/09/297428609.db2.gz BNFDCCKEJSTASX-OLZOCXBDSA-N 1 0 285.457 2.183 20 70 CEIDRO CC[NH+]1CCC(NC(=O)N[C@H](C)CC(C)C)CC1 ZINC000159572667 297429150 /nfs/dbraw/zinc/42/91/50/297429150.db2.gz FQVZLRAYWBVIMC-GFCCVEGCSA-N 1 0 255.406 2.205 20 70 CEIDRO CCOCCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159701414 297429924 /nfs/dbraw/zinc/42/99/24/297429924.db2.gz BBPYEZRDHMDXGE-UHFFFAOYSA-N 1 0 299.459 2.176 20 70 CEIDRO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159883226 312635051 /nfs/dbraw/zinc/63/50/51/312635051.db2.gz AQVIIOVRCOMJFQ-NJZAAPMLSA-N 1 0 258.365 2.036 20 70 CEIDRO CC(C)c1cccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160154616 500631179 /nfs/dbraw/zinc/63/11/79/500631179.db2.gz UYOZMTIZDRQKSI-INIZCTEOSA-N 1 0 289.423 2.418 20 70 CEIDRO COC(C[NH+]1CCC(c2nc(C)cs2)CC1)OC ZINC000160789073 522529420 /nfs/dbraw/zinc/52/94/20/522529420.db2.gz GXMUXKUVTMCHHS-UHFFFAOYSA-N 1 0 270.398 2.250 20 70 CEIDRO CC(C)[C@@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161427434 519790166 /nfs/dbraw/zinc/79/01/66/519790166.db2.gz IKHLXVJYFRGIBR-ICIURTGMSA-N 1 0 252.402 2.410 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000160646843 519903147 /nfs/dbraw/zinc/90/31/47/519903147.db2.gz HINSQKAQRRNOCT-INIZCTEOSA-N 1 0 290.407 2.341 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000160574741 519903603 /nfs/dbraw/zinc/90/36/03/519903603.db2.gz MHSPHGXAVPXSAR-CJNGLKHVSA-N 1 0 290.407 2.341 20 70 CEIDRO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(C)C ZINC000160864573 519981016 /nfs/dbraw/zinc/98/10/16/519981016.db2.gz VZVSUHRLMPTVLX-CYBMUJFWSA-N 1 0 267.417 2.443 20 70 CEIDRO CCOC[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160943913 520132647 /nfs/dbraw/zinc/13/26/47/520132647.db2.gz VUQGYSOXYCVYPS-CYBMUJFWSA-N 1 0 259.353 2.193 20 70 CEIDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000160922535 521048968 /nfs/dbraw/zinc/04/89/68/521048968.db2.gz CVFKRAZTRSKHLX-YNEHKIRRSA-N 1 0 263.385 2.426 20 70 CEIDRO CC[C@H](COC)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160629926 522259824 /nfs/dbraw/zinc/25/98/24/522259824.db2.gz CLFDSCINWXADHC-QGZVFWFLSA-N 1 0 292.423 2.033 20 70 CEIDRO CCc1nnc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)[nH]1 ZINC000160591241 522348840 /nfs/dbraw/zinc/34/88/40/522348840.db2.gz VKHUDOBRKNYJCW-AWEZNQCLSA-N 1 0 270.380 2.478 20 70 CEIDRO CO[C@@H]1CC[C@@H]2OCCN(CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000161457293 523707803 /nfs/dbraw/zinc/70/78/03/523707803.db2.gz CLSPPKUZRZRPHX-ZACQAIPSSA-N 1 0 296.455 2.131 20 70 CEIDRO C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000160570770 524346446 /nfs/dbraw/zinc/34/64/46/524346446.db2.gz QSHLLEYEODIXKL-KGLIPLIRSA-N 1 0 252.402 2.415 20 70 CEIDRO COc1cccc([C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160659442 526246640 /nfs/dbraw/zinc/24/66/40/526246640.db2.gz GVHBWUCSXIFQLM-YUELXQCFSA-N 1 0 288.391 2.152 20 70 CEIDRO CCc1cccc(OC[C@H](O)C[NH2+]CC(C)(C)OC)c1 ZINC000160246317 344458505 /nfs/dbraw/zinc/45/85/05/344458505.db2.gz IGKQZODUYAZQHV-CQSZACIVSA-N 1 0 281.396 2.003 20 70 CEIDRO CCCCS[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160856538 344461791 /nfs/dbraw/zinc/46/17/91/344461791.db2.gz FJPDRNINYUSUHV-GRYCIOLGSA-N 1 0 258.431 2.294 20 70 CEIDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)C(C)C)CC2 ZINC000159560108 188432092 /nfs/dbraw/zinc/43/20/92/188432092.db2.gz XACXYGGZCJNOHT-HOCLYGCPSA-N 1 0 263.381 2.159 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2c(C)onc2-c2ccccc2)C1 ZINC000160663050 188485168 /nfs/dbraw/zinc/48/51/68/188485168.db2.gz RDGHXEQOYWBCOZ-CYBMUJFWSA-N 1 0 285.347 2.084 20 70 CEIDRO CCCc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161329477 188521516 /nfs/dbraw/zinc/52/15/16/188521516.db2.gz RVOSOLNVZJXASY-OAHLLOKOSA-N 1 0 260.381 2.463 20 70 CEIDRO CCCn1nccc1C[NH2+]CCCc1c[nH]nc1C ZINC000160129032 540112368 /nfs/dbraw/zinc/11/23/68/540112368.db2.gz HJMSHPVIYLOLPY-UHFFFAOYSA-N 1 0 261.373 2.047 20 70 CEIDRO Cc1cccc([C@@H](C)CNC(=O)CC2([NH3+])CCC2)c1 ZINC000160737901 540121361 /nfs/dbraw/zinc/12/13/61/540121361.db2.gz DRNVXRBEPLNURP-ZDUSSCGKSA-N 1 0 260.381 2.486 20 70 CEIDRO COc1ccc(SCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161137552 540133731 /nfs/dbraw/zinc/13/37/31/540133731.db2.gz ADRPBPSNAPLZOE-RYUDHWBXSA-N 1 0 294.420 2.173 20 70 CEIDRO CO[C@H](C)c1nc(C)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161413858 540137596 /nfs/dbraw/zinc/13/75/96/540137596.db2.gz WXJMYKRSHIDREL-VWYCJHECSA-N 1 0 297.424 2.159 20 70 CEIDRO O=C(NCC1(Sc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000159703945 366940562 /nfs/dbraw/zinc/94/05/62/366940562.db2.gz DWGNMXOFZLUPKT-CYBMUJFWSA-N 1 0 290.432 2.427 20 70 CEIDRO CC1(C[NH2+]CCc2cccc3cccnc32)COC1 ZINC000159388808 366909324 /nfs/dbraw/zinc/90/93/24/366909324.db2.gz NKRQZDOLOQEQAN-UHFFFAOYSA-N 1 0 256.349 2.403 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000159442288 366913561 /nfs/dbraw/zinc/91/35/61/366913561.db2.gz RINNNDILLYZWPT-BDAKNGLRSA-N 1 0 288.750 2.119 20 70 CEIDRO c1csc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159470662 366916742 /nfs/dbraw/zinc/91/67/42/366916742.db2.gz PVZGRUYBYMPKRO-DLOVCJGASA-N 1 0 250.367 2.190 20 70 CEIDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H]1CCC[C@@H]1O ZINC000159482646 366918066 /nfs/dbraw/zinc/91/80/66/366918066.db2.gz KINZUDVEYBKJSC-RYUDHWBXSA-N 1 0 254.761 2.328 20 70 CEIDRO Cc1cc(Br)ccc1CNC(=O)C(C)(C)[NH3+] ZINC000159544573 366923702 /nfs/dbraw/zinc/92/37/02/366923702.db2.gz GRRVPXOCXVWTAN-UHFFFAOYSA-N 1 0 285.185 2.111 20 70 CEIDRO O=C(/C=C/c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159588916 366929595 /nfs/dbraw/zinc/92/95/95/366929595.db2.gz NNGXHIKOVFWMQU-COAGHLHKSA-N 1 0 256.349 2.053 20 70 CEIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1cccs1 ZINC000159627769 366934100 /nfs/dbraw/zinc/93/41/00/366934100.db2.gz YFDSUEDNXKYFSL-AVGNSLFASA-N 1 0 296.436 2.018 20 70 CEIDRO Cc1ccsc1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159632660 366934437 /nfs/dbraw/zinc/93/44/37/366934437.db2.gz DUEOIZFEEWVJRE-QWRGUYRKSA-N 1 0 252.383 2.142 20 70 CEIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000159639041 366934548 /nfs/dbraw/zinc/93/45/48/366934548.db2.gz INIICTIMALEGFD-CJNGLKHVSA-N 1 0 278.371 2.086 20 70 CEIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000159792413 366949889 /nfs/dbraw/zinc/94/98/89/366949889.db2.gz YCYJBYHRYJLWMU-GFCCVEGCSA-N 1 0 292.427 2.073 20 70 CEIDRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)N1CCc2ccccc21 ZINC000159910763 366957913 /nfs/dbraw/zinc/95/79/13/366957913.db2.gz GQSWTQUIWUHLFB-IIAWOOMASA-N 1 0 274.408 2.452 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccccc1F ZINC000160021741 366967266 /nfs/dbraw/zinc/96/72/66/366967266.db2.gz UNTKSHXBSFUGEO-WNMQOVRZSA-N 1 0 292.354 2.297 20 70 CEIDRO CC(C)c1ccccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160082359 366971947 /nfs/dbraw/zinc/97/19/47/366971947.db2.gz LRYHMPXFYIXWHX-MRXNPFEDSA-N 1 0 289.423 2.418 20 70 CEIDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160120744 366974717 /nfs/dbraw/zinc/97/47/17/366974717.db2.gz ZPFHJMLBZIVIGF-YZQVSVNPSA-N 1 0 276.424 2.173 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(Br)cs1 ZINC000160140998 366976257 /nfs/dbraw/zinc/97/62/57/366976257.db2.gz XELKQUYUEAMOJG-MRVPVSSYSA-N 1 0 289.198 2.074 20 70 CEIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000160251128 366987828 /nfs/dbraw/zinc/98/78/28/366987828.db2.gz WKZZOKFNJIDXMH-AWEZNQCLSA-N 1 0 293.455 2.454 20 70 CEIDRO CC(C)(O)CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000160280700 366990474 /nfs/dbraw/zinc/99/04/74/366990474.db2.gz DDMFSYPPZPNLHQ-INIZCTEOSA-N 1 0 277.408 2.481 20 70 CEIDRO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160328348 366995633 /nfs/dbraw/zinc/99/56/33/366995633.db2.gz UBEHJJWYFMLVQH-OLZOCXBDSA-N 1 0 278.421 2.365 20 70 CEIDRO COc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000160361431 366998656 /nfs/dbraw/zinc/99/86/56/366998656.db2.gz MAHDJPVRPIGMCF-LLVKDONJSA-N 1 0 278.327 2.163 20 70 CEIDRO CCCOc1cccc(CC(=O)NCC[NH+](CC)CC)c1 ZINC000160552493 367016345 /nfs/dbraw/zinc/01/63/45/367016345.db2.gz RNCQOPHYNHQYAZ-UHFFFAOYSA-N 1 0 292.423 2.476 20 70 CEIDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160553765 367016482 /nfs/dbraw/zinc/01/64/82/367016482.db2.gz CZTNKOCAQLSSGQ-NOZJJQNGSA-N 1 0 286.297 2.188 20 70 CEIDRO CS[C@H](C)CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000160926471 367044272 /nfs/dbraw/zinc/04/42/72/367044272.db2.gz OWGRORQZUNWVAT-JHJVBQTASA-N 1 0 272.458 2.365 20 70 CEIDRO CCn1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)cn1 ZINC000161339902 367079776 /nfs/dbraw/zinc/07/97/76/367079776.db2.gz ZRLOPPCMTZHXKS-BLLLJJGKSA-N 1 0 289.379 2.296 20 70 CEIDRO CC(C)(C)[NH2+]CCNC(=O)CC1CCSCC1 ZINC000161022084 367050204 /nfs/dbraw/zinc/05/02/04/367050204.db2.gz GQXLJFYPIGBDQT-UHFFFAOYSA-N 1 0 258.431 2.024 20 70 CEIDRO CO[C@@H]1CCN(Cc2cc(C)cc(C)c2)[C@@H](C[NH3+])C1 ZINC000161011118 367050306 /nfs/dbraw/zinc/05/03/06/367050306.db2.gz UYVKLQBSUNJMAT-HZPDHXFCSA-N 1 0 262.397 2.242 20 70 CEIDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(C(=O)OC)cc1 ZINC000161083239 367054782 /nfs/dbraw/zinc/05/47/82/367054782.db2.gz ZLERRIDFKSOMSX-UHFFFAOYSA-N 1 0 287.363 2.229 20 70 CEIDRO CC[NH+](CC)[C@H](C(=O)NC[C@H](C)CCO)c1ccccc1 ZINC000161087822 367055619 /nfs/dbraw/zinc/05/56/19/367055619.db2.gz VWQOYYPXTQSYSS-ZBFHGGJFSA-N 1 0 292.423 2.204 20 70 CEIDRO COc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1N ZINC000161245054 367071385 /nfs/dbraw/zinc/07/13/85/367071385.db2.gz UVIFEMWLBQJPBZ-YOGCLGLASA-N 1 0 289.379 2.137 20 70 CEIDRO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC000160657539 367025555 /nfs/dbraw/zinc/02/55/55/367025555.db2.gz LVQYHAPHQYWLBS-GFCCVEGCSA-N 1 0 252.402 2.271 20 70 CEIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000161324076 367078841 /nfs/dbraw/zinc/07/88/41/367078841.db2.gz ATARBMAXBUDSGY-CYBMUJFWSA-N 1 0 294.362 2.217 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000160766150 367033098 /nfs/dbraw/zinc/03/30/98/367033098.db2.gz QCLZXWIAPMYHHQ-OUAUKWLOSA-N 1 0 296.773 2.403 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000160784422 367033836 /nfs/dbraw/zinc/03/38/36/367033836.db2.gz GOMCFJZINRDRSD-LBPRGKRZSA-N 1 0 287.388 2.244 20 70 CEIDRO OC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000161487289 367090228 /nfs/dbraw/zinc/09/02/28/367090228.db2.gz HPYIAHVGKHXFSF-CQSZACIVSA-N 1 0 298.377 2.082 20 70 CEIDRO c1c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc2ccccn12 ZINC000216626092 370190340 /nfs/dbraw/zinc/19/03/40/370190340.db2.gz BPRAMGBJBHZJJK-CABCVRRESA-N 1 0 270.380 2.051 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cnn(-c2ccccc2)n1 ZINC000217398227 370195413 /nfs/dbraw/zinc/19/54/13/370195413.db2.gz JTOQOHLBBCUNNT-AWEZNQCLSA-N 1 0 287.411 2.087 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000217850944 370201907 /nfs/dbraw/zinc/20/19/07/370201907.db2.gz UTSFRJFUCOCVBZ-HNNXBMFYSA-N 1 0 291.420 2.280 20 70 CEIDRO CNc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217860355 370202003 /nfs/dbraw/zinc/20/20/03/370202003.db2.gz OXAZVERLXLWSBP-CABCVRRESA-N 1 0 273.380 2.085 20 70 CEIDRO COC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC000160741610 285403640 /nfs/dbraw/zinc/40/36/40/285403640.db2.gz WQTNHSVLPUBEJN-DOMZBBRYSA-N 1 0 274.364 2.127 20 70 CEIDRO CSc1ccc(Cl)c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000216733977 394453038 /nfs/dbraw/zinc/45/30/38/394453038.db2.gz ZSKLSKVKFUMAHG-RNCFNFMXSA-N 1 0 296.823 2.496 20 70 CEIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCS1 ZINC000159621413 395059554 /nfs/dbraw/zinc/05/95/54/395059554.db2.gz QYOINBHFEUGBJS-CQSZACIVSA-N 1 0 287.473 2.254 20 70 CEIDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160548924 395060569 /nfs/dbraw/zinc/06/05/69/395060569.db2.gz DQIYMHDLHYKGRK-ZYHUDNBSSA-N 1 0 260.341 2.154 20 70 CEIDRO COc1cccc(F)c1[C@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161050658 400283836 /nfs/dbraw/zinc/28/38/36/400283836.db2.gz PPSCNOAFUABGGD-ZUZCIYMTSA-N 1 0 280.343 2.011 20 70 CEIDRO COc1cccc(F)c1[C@@H](C)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000161050780 400283845 /nfs/dbraw/zinc/28/38/45/400283845.db2.gz PPSCNOAFUABGGD-MEBBXXQBSA-N 1 0 280.343 2.011 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000161054871 400284149 /nfs/dbraw/zinc/28/41/49/400284149.db2.gz KAYWGWPMQLBQBU-UHFFFAOYSA-N 1 0 292.427 2.005 20 70 CEIDRO CC[C@@H]1CO[C@@H](C)CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000218365023 400308518 /nfs/dbraw/zinc/30/85/18/400308518.db2.gz ISYRXYHCZPIEHZ-NWANDNLSSA-N 1 0 276.380 2.102 20 70 CEIDRO COc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1F ZINC000218088501 400308638 /nfs/dbraw/zinc/30/86/38/400308638.db2.gz WUNIGDQEDZICLJ-UHFFFAOYSA-N 1 0 298.358 2.449 20 70 CEIDRO CC[N@H+](CCNc1ncnc2c1CCCC2)C1CC1 ZINC000217803779 153299039 /nfs/dbraw/zinc/29/90/39/153299039.db2.gz ACYMZFBBJPYDBL-UHFFFAOYSA-N 1 0 260.385 2.252 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C12CCCCC2 ZINC000161178657 286372281 /nfs/dbraw/zinc/37/22/81/286372281.db2.gz QUVITEUWDLJNCO-SOUVJXGZSA-N 1 0 294.439 2.373 20 70 CEIDRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCn3ccnc3C2)c1 ZINC000159731350 162313621 /nfs/dbraw/zinc/31/36/21/162313621.db2.gz ZAFQDWCGSGWJSD-CQSZACIVSA-N 1 0 298.390 2.146 20 70 CEIDRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC000159800581 162315507 /nfs/dbraw/zinc/31/55/07/162315507.db2.gz DYVIBEXGKSWGPH-HNNXBMFYSA-N 1 0 292.423 2.183 20 70 CEIDRO Cc1cccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159814019 162315778 /nfs/dbraw/zinc/31/57/78/162315778.db2.gz GMEZZHZDHAMATL-KZQNYRHTSA-N 1 0 270.376 2.361 20 70 CEIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000160053683 162321990 /nfs/dbraw/zinc/32/19/90/162321990.db2.gz BFWMWDJQCFKUFT-UONOGXRCSA-N 1 0 252.402 2.365 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386730 274134108 /nfs/dbraw/zinc/13/41/08/274134108.db2.gz HNZOCAPNRRFGDH-BBRMVZONSA-N 1 0 298.390 2.187 20 70 CEIDRO [NH3+]CCCNC(=O)CCC(=O)c1csc2ccccc12 ZINC000160131151 280095490 /nfs/dbraw/zinc/09/54/90/280095490.db2.gz ZBTYVCMRDHWHQU-UHFFFAOYSA-N 1 0 290.388 2.329 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000161257194 282073436 /nfs/dbraw/zinc/07/34/36/282073436.db2.gz VQXYZRSVEAKDTA-FZMZJTMJSA-N 1 0 270.417 2.071 20 70 CEIDRO C[C@H](C1CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160866866 289399769 /nfs/dbraw/zinc/39/97/69/289399769.db2.gz LKMDPQVYVVHBBT-TZMCWYRMSA-N 1 0 279.428 2.443 20 70 CEIDRO CC[NH+](CC)CCCNC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000159697743 297429915 /nfs/dbraw/zinc/42/99/15/297429915.db2.gz WRXALPIJBBVCIT-KBPBESRZSA-N 1 0 269.433 2.406 20 70 CEIDRO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000161249176 297442542 /nfs/dbraw/zinc/44/25/42/297442542.db2.gz JLMJIWSUOKXUIS-AWEZNQCLSA-N 1 0 297.443 2.116 20 70 CEIDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1(CC)CC ZINC000161294388 297443602 /nfs/dbraw/zinc/44/36/02/297443602.db2.gz XBJIEXZJYRQABK-UONOGXRCSA-N 1 0 297.443 2.103 20 70 CEIDRO CSC[C@@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160419307 312638657 /nfs/dbraw/zinc/63/86/57/312638657.db2.gz UVUXWYQVHXUNGI-ZIAGYGMSSA-N 1 0 299.484 2.398 20 70 CEIDRO CC(C)(NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000159643893 519306811 /nfs/dbraw/zinc/30/68/11/519306811.db2.gz LESQMGNFXOHVHY-CYBMUJFWSA-N 1 0 264.344 2.319 20 70 CEIDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160881792 520254099 /nfs/dbraw/zinc/25/40/99/520254099.db2.gz QASFBCBCCKTHSI-OAHLLOKOSA-N 1 0 286.423 2.416 20 70 CEIDRO CC[N@@H+]1CC[C@H](N(C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592092 521720498 /nfs/dbraw/zinc/72/04/98/521720498.db2.gz UZFRDZJSPDBLPH-ZBFHGGJFSA-N 1 0 286.423 2.496 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cncc(OC(C)C)c1 ZINC000161387658 522061017 /nfs/dbraw/zinc/06/10/17/522061017.db2.gz DYAAOAQGZSLMNP-CYBMUJFWSA-N 1 0 293.411 2.329 20 70 CEIDRO [NH3+]CCCNC(=O)c1csc(CCc2ccccc2)n1 ZINC000160084374 534616616 /nfs/dbraw/zinc/61/66/16/534616616.db2.gz DEJXHHLVMHNFCO-UHFFFAOYSA-N 1 0 289.404 2.007 20 70 CEIDRO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160353683 523356856 /nfs/dbraw/zinc/35/68/56/523356856.db2.gz MYIDAPPMJQXSRS-ZNMIVQPWSA-N 1 0 284.444 2.332 20 70 CEIDRO Cc1cccc(OCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160360227 524725475 /nfs/dbraw/zinc/72/54/75/524725475.db2.gz HKSPHFSHKXBFCN-GASCZTMLSA-N 1 0 288.391 2.117 20 70 CEIDRO COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)c(OC)c1 ZINC000160354284 525336493 /nfs/dbraw/zinc/33/64/93/525336493.db2.gz NDHPHHMQQUXRGM-NWDGAFQWSA-N 1 0 299.436 2.468 20 70 CEIDRO Cc1oc2ccccc2c1C[NH2+]CCNC(=O)C1CC1 ZINC000160788488 526789141 /nfs/dbraw/zinc/78/91/41/526789141.db2.gz IEJIKQIHTHDIQE-UHFFFAOYSA-N 1 0 272.348 2.357 20 70 CEIDRO CC(C)OCc1c2ccccc2oc1C(=O)NCCC[NH3+] ZINC000159988830 528030431 /nfs/dbraw/zinc/03/04/31/528030431.db2.gz ZSWSAJQSAUVAPU-UHFFFAOYSA-N 1 0 290.363 2.436 20 70 CEIDRO CC(C)[N@@H+](CCc1nccs1)CCN1CCCC1=O ZINC000159748892 528915437 /nfs/dbraw/zinc/91/54/37/528915437.db2.gz YPWVNXPTQAIAKV-UHFFFAOYSA-N 1 0 281.425 2.018 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)Cc1cncn1C ZINC000159829207 528915822 /nfs/dbraw/zinc/91/58/22/528915822.db2.gz WEUPKYYMTYTIQP-UHFFFAOYSA-N 1 0 264.398 2.330 20 70 CEIDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000159516654 344454887 /nfs/dbraw/zinc/45/48/87/344454887.db2.gz VEETXBAZOSTRQT-NEPJUHHUSA-N 1 0 266.410 2.310 20 70 CEIDRO COC(=O)[C@H](NCCC[NH+]1CCCCC1)C(C)(C)C ZINC000161440948 344464008 /nfs/dbraw/zinc/46/40/08/344464008.db2.gz IYQGHUXPITVDTJ-ZDUSSCGKSA-N 1 0 270.417 2.040 20 70 CEIDRO Cc1ccc2oc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2c1 ZINC000218252099 344536244 /nfs/dbraw/zinc/53/62/44/344536244.db2.gz YSHDPGHAECYAPO-YPMHNXCESA-N 1 0 270.332 2.175 20 70 CEIDRO CC(C)(CNC(=O)C[NH2+]CC1CC1)Cc1ccccc1 ZINC000159488245 188428798 /nfs/dbraw/zinc/42/87/98/188428798.db2.gz ZZFCZYIFVHSIHO-UHFFFAOYSA-N 1 0 274.408 2.371 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)NC1(c2ccccc2F)CC1 ZINC000159759669 188440284 /nfs/dbraw/zinc/44/02/84/188440284.db2.gz BDKZQBIEUUUZTI-UHFFFAOYSA-N 1 0 276.355 2.321 20 70 CEIDRO Cc1cc(O[C@@H](C)C(=O)NCCC[NH3+])ccc1C(C)C ZINC000160165178 188458259 /nfs/dbraw/zinc/45/82/59/188458259.db2.gz KFELTJGFBZZBSI-ZDUSSCGKSA-N 1 0 278.396 2.351 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000160903425 188497480 /nfs/dbraw/zinc/49/74/80/188497480.db2.gz KIIXUWKPDJDAHP-GFCCVEGCSA-N 1 0 282.384 2.477 20 70 CEIDRO Cc1ccccc1O[C@@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161173494 188513306 /nfs/dbraw/zinc/51/33/06/188513306.db2.gz WEGRGYUXAIOKRM-KBPBESRZSA-N 1 0 276.380 2.021 20 70 CEIDRO Brc1cncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000160590035 540118917 /nfs/dbraw/zinc/11/89/17/540118917.db2.gz FUCNSYHMDRZJTN-UTUOFQBUSA-N 1 0 283.169 2.254 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC000161168260 540134603 /nfs/dbraw/zinc/13/46/03/540134603.db2.gz RPFILJAMVZHMRN-MNOVXSKESA-N 1 0 282.771 2.105 20 70 CEIDRO CC1(OCC(=O)NC2CC(C)(C)CC(C)(C)C2)C[NH2+]C1 ZINC000161242408 540135858 /nfs/dbraw/zinc/13/58/58/540135858.db2.gz GAPDDHLQLXHCOA-UHFFFAOYSA-N 1 0 282.428 2.086 20 70 CEIDRO Cc1cc(F)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000161458009 540138273 /nfs/dbraw/zinc/13/82/73/540138273.db2.gz MXLZNNBCYLCQFX-ZJUUUORDSA-N 1 0 268.307 2.273 20 70 CEIDRO C[C@@H](NCc1ccc(N(C)C)nc1)c1nnc2ccccn21 ZINC000159649483 540423432 /nfs/dbraw/zinc/42/34/32/540423432.db2.gz FVSDINQURYNFIA-GFCCVEGCSA-N 1 0 296.378 2.041 20 70 CEIDRO CCn1nccc1C[NH2+]Cc1ccc(COC)cc1 ZINC000159933032 540440567 /nfs/dbraw/zinc/44/05/67/540440567.db2.gz ZRPWMZPVOAOHPY-UHFFFAOYSA-N 1 0 259.353 2.339 20 70 CEIDRO CCn1nccc1C[NH2+]Cc1ccc(OCCOC)cc1 ZINC000159983173 540441385 /nfs/dbraw/zinc/44/13/85/540441385.db2.gz LTEHSXVLPVZGMX-UHFFFAOYSA-N 1 0 289.379 2.218 20 70 CEIDRO COCc1nc(C[NH2+][C@H]2CCOC(C)(C)C2)cs1 ZINC000160502396 540615508 /nfs/dbraw/zinc/61/55/08/540615508.db2.gz ISAWHRJPDLJRRX-JTQLQIEISA-N 1 0 270.398 2.337 20 70 CEIDRO CCO[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160528451 540617794 /nfs/dbraw/zinc/61/77/94/540617794.db2.gz HFCVACSEJFTDCE-AWEZNQCLSA-N 1 0 259.353 2.335 20 70 CEIDRO C[N@H+](CCCCS(C)(=O)=O)C1CCCCCC1 ZINC000161311675 540771371 /nfs/dbraw/zinc/77/13/71/540771371.db2.gz HFSSESIRPIGPQW-UHFFFAOYSA-N 1 0 261.431 2.466 20 70 CEIDRO CCc1ccc([C@H](COC)[NH2+]CCC(C)(C)O)o1 ZINC000159674082 366938936 /nfs/dbraw/zinc/93/89/36/366938936.db2.gz RJSMPCMYFVBAQL-LBPRGKRZSA-N 1 0 255.358 2.280 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159694181 366939922 /nfs/dbraw/zinc/93/99/22/366939922.db2.gz NPCXBYWMLRWVHZ-YPMHNXCESA-N 1 0 271.364 2.254 20 70 CEIDRO c1c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494550 366919600 /nfs/dbraw/zinc/91/96/00/366919600.db2.gz KFSZBKBWTXXUIN-BPUTZDHNSA-N 1 0 283.375 2.382 20 70 CEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159519424 366923026 /nfs/dbraw/zinc/92/30/26/366923026.db2.gz VDFBHNYLLSMMCU-RWMBFGLXSA-N 1 0 296.436 2.113 20 70 CEIDRO CC[C@@H](CCO)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000159562569 366927577 /nfs/dbraw/zinc/92/75/77/366927577.db2.gz VTAMTQWIXRANQG-LSDHHAIUSA-N 1 0 263.381 2.303 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000159632352 366934240 /nfs/dbraw/zinc/93/42/40/366934240.db2.gz BMLNYZACJNRPTM-AWEZNQCLSA-N 1 0 260.381 2.076 20 70 CEIDRO CC[C@H](C)OCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159656816 366937084 /nfs/dbraw/zinc/93/70/84/366937084.db2.gz YNNWEYUPJJEIQS-SWLSCSKDSA-N 1 0 296.386 2.360 20 70 CEIDRO CC(C)([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159807097 366950263 /nfs/dbraw/zinc/95/02/63/366950263.db2.gz IGAIYZAYLITYJA-LLVKDONJSA-N 1 0 266.772 2.393 20 70 CEIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCOCCO ZINC000159896817 366958167 /nfs/dbraw/zinc/95/81/67/366958167.db2.gz KVMLDLMISVEJQU-BENRWUELSA-N 1 0 269.772 2.342 20 70 CEIDRO CN(Cc1ccc(-n2cccn2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160061125 366970036 /nfs/dbraw/zinc/97/00/36/366970036.db2.gz GZCLPPILKPGZLD-INIZCTEOSA-N 1 0 270.380 2.041 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1cccc(Oc2ccncc2)c1 ZINC000159942979 366961020 /nfs/dbraw/zinc/96/10/20/366961020.db2.gz NHBCBEAARFEKBB-UHFFFAOYSA-N 1 0 285.347 2.341 20 70 CEIDRO C[C@H]([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160041990 366967204 /nfs/dbraw/zinc/96/72/04/366967204.db2.gz NCHLDJQAAPHNAX-QMMMGPOBSA-N 1 0 272.751 2.220 20 70 CEIDRO COCCC[N@H+](C)CCNc1cc(Cl)nc(C2CC2)n1 ZINC000160049986 366969038 /nfs/dbraw/zinc/96/90/38/366969038.db2.gz FQUBJHSNUWFGOO-UHFFFAOYSA-N 1 0 298.818 2.388 20 70 CEIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000160102680 366973441 /nfs/dbraw/zinc/97/34/41/366973441.db2.gz DCZKHTHUKHIUKJ-DOTOQJQBSA-N 1 0 272.392 2.319 20 70 CEIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000160102814 366973935 /nfs/dbraw/zinc/97/39/35/366973935.db2.gz DCZKHTHUKHIUKJ-WBVHZDCISA-N 1 0 272.392 2.319 20 70 CEIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000160107233 366974918 /nfs/dbraw/zinc/97/49/18/366974918.db2.gz WDQRYZSBBHTLLD-JKSUJKDBSA-N 1 0 268.360 2.408 20 70 CEIDRO c1cnnc(N2CC[NH+](CCC3CCCC3)CC2)c1 ZINC000160168480 366979604 /nfs/dbraw/zinc/97/96/04/366979604.db2.gz KZSBYQBAZPJLID-UHFFFAOYSA-N 1 0 260.385 2.179 20 70 CEIDRO C[C@@H]1CC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000160176759 366979710 /nfs/dbraw/zinc/97/97/10/366979710.db2.gz JNPGOVWOTMPKJN-BHPKHCPMSA-N 1 0 297.443 2.114 20 70 CEIDRO CSc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160186915 366980806 /nfs/dbraw/zinc/98/08/06/366980806.db2.gz PINTZEDDEQVHKW-NEPJUHHUSA-N 1 0 294.420 2.126 20 70 CEIDRO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160328935 366994698 /nfs/dbraw/zinc/99/46/98/366994698.db2.gz MYCOXZDQPZJLFD-CYBMUJFWSA-N 1 0 272.348 2.445 20 70 CEIDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cccc(-n2cccn2)c1 ZINC000160567159 367018121 /nfs/dbraw/zinc/01/81/21/367018121.db2.gz FZFVNMVZGIXKOY-CZUORRHYSA-N 1 0 298.390 2.192 20 70 CEIDRO C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160652329 367023257 /nfs/dbraw/zinc/02/32/57/367023257.db2.gz BPCARKZVRRQQQS-YUELXQCFSA-N 1 0 255.402 2.332 20 70 CEIDRO NC(=O)[C@@H]1CCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000160361646 366998186 /nfs/dbraw/zinc/99/81/86/366998186.db2.gz UJCCYRATZNXTIL-NSHDSACASA-N 1 0 288.269 2.035 20 70 CEIDRO COc1cc(NC(=O)CC[C@H]2CC[NH2+]C2)ccc1F ZINC000160358955 366998816 /nfs/dbraw/zinc/99/88/16/366998816.db2.gz AAKSUGQOCYYHJX-JTQLQIEISA-N 1 0 266.316 2.163 20 70 CEIDRO COc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000160361306 366998844 /nfs/dbraw/zinc/99/88/44/366998844.db2.gz MAHDJPVRPIGMCF-NSHDSACASA-N 1 0 278.327 2.163 20 70 CEIDRO CC1=C(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCCO1 ZINC000160378057 367000833 /nfs/dbraw/zinc/00/08/33/367000833.db2.gz NZWRPRFPQIKZTP-UKRRQHHQSA-N 1 0 278.396 2.014 20 70 CEIDRO COCC(C)(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160404324 367002722 /nfs/dbraw/zinc/00/27/22/367002722.db2.gz KYYOXIMLGWPQLF-UHFFFAOYSA-N 1 0 292.423 2.297 20 70 CEIDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000160415227 367003878 /nfs/dbraw/zinc/00/38/78/367003878.db2.gz PCNJBANDVGSNBQ-CQSZACIVSA-N 1 0 275.396 2.240 20 70 CEIDRO O=C1CN(Cc2ccc(-c3cccc(F)c3)s2)CCN1 ZINC000160514430 367012577 /nfs/dbraw/zinc/01/25/77/367012577.db2.gz RKERKSHEBCFGGL-UHFFFAOYSA-N 1 0 290.363 2.486 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537698 367015140 /nfs/dbraw/zinc/01/51/40/367015140.db2.gz DGPIVLZZZPPAMO-FZMZJTMJSA-N 1 0 288.399 2.030 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000160557187 367016796 /nfs/dbraw/zinc/01/67/96/367016796.db2.gz ZQMUDTCSQQJGCW-AWEZNQCLSA-N 1 0 299.374 2.095 20 70 CEIDRO CCc1ccc([C@H](CO)[NH2+]Cc2cccn2C)cc1 ZINC000160806037 367035108 /nfs/dbraw/zinc/03/51/08/367035108.db2.gz OCJCJESHHGLAJG-INIZCTEOSA-N 1 0 258.365 2.411 20 70 CEIDRO CC(C)c1nc(N[C@H]2CCOC(C)(C)C2)nc(N(C)C)n1 ZINC000160852452 367038601 /nfs/dbraw/zinc/03/86/01/367038601.db2.gz XMLNFBKQKYGHHW-NSHDSACASA-N 1 0 293.415 2.431 20 70 CEIDRO CC[C@H](C)OCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000160904453 367042634 /nfs/dbraw/zinc/04/26/34/367042634.db2.gz FWNIJTPEUXBAFF-ZDUSSCGKSA-N 1 0 296.386 2.189 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160906666 367042709 /nfs/dbraw/zinc/04/27/09/367042709.db2.gz IZLIKUGGPGELMD-AEGPPILISA-N 1 0 260.381 2.374 20 70 CEIDRO CO[C@H]1CCN(Cc2c(F)cccc2Cl)[C@H](C[NH3+])C1 ZINC000161004435 367048721 /nfs/dbraw/zinc/04/87/21/367048721.db2.gz XNGLZZOBSBPBGS-QWRGUYRKSA-N 1 0 286.778 2.417 20 70 CEIDRO CO[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000161029007 367051549 /nfs/dbraw/zinc/05/15/49/367051549.db2.gz GFHLAFKPJNJAAD-NWDGAFQWSA-N 1 0 286.778 2.417 20 70 CEIDRO CCCCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1C ZINC000161084082 367055281 /nfs/dbraw/zinc/05/52/81/367055281.db2.gz OHVFBGSUBJMVPL-CQSZACIVSA-N 1 0 292.427 2.206 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000161124208 367059713 /nfs/dbraw/zinc/05/97/13/367059713.db2.gz UASVXGVTJLCGHM-LBPRGKRZSA-N 1 0 259.353 2.121 20 70 CEIDRO Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000161287512 367074494 /nfs/dbraw/zinc/07/44/94/367074494.db2.gz VSQDFWCVNRBRAV-HNNXBMFYSA-N 1 0 284.363 2.213 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000161311094 367077561 /nfs/dbraw/zinc/07/75/61/367077561.db2.gz RQMFHAZCGHEYIW-ZDUSSCGKSA-N 1 0 284.444 2.307 20 70 CEIDRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1OCC1CCOCC1 ZINC000161373483 367081594 /nfs/dbraw/zinc/08/15/94/367081594.db2.gz YXPICEAPBPDVLK-LBPRGKRZSA-N 1 0 292.379 2.086 20 70 CEIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC1(C)C ZINC000160753702 367031489 /nfs/dbraw/zinc/03/14/89/367031489.db2.gz MAOXNGKOSQECAW-UPJWGTAASA-N 1 0 252.402 2.269 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000160775008 367033798 /nfs/dbraw/zinc/03/37/98/367033798.db2.gz KYRCHRULWKOBBZ-SECBINFHSA-N 1 0 287.190 2.356 20 70 CEIDRO CC[C@H](C)[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217729829 370200063 /nfs/dbraw/zinc/20/00/63/370200063.db2.gz ALCJNXKFPDQAMP-BPUTZDHNSA-N 1 0 290.407 2.002 20 70 CEIDRO CCc1ncnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1F ZINC000217975313 370203313 /nfs/dbraw/zinc/20/33/13/370203313.db2.gz SLGZFILGKZCCTI-NEPJUHHUSA-N 1 0 264.348 2.217 20 70 CEIDRO CN(C(=O)[C@H]1CCCc2sccc21)[C@H](C[NH3+])C1CC1 ZINC000159842379 395059452 /nfs/dbraw/zinc/05/94/52/395059452.db2.gz BVTYEQDRZNJGCI-QWHCGFSZSA-N 1 0 278.421 2.364 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161048342 400283882 /nfs/dbraw/zinc/28/38/82/400283882.db2.gz LKVHUFGOBHDYSQ-JTQLQIEISA-N 1 0 284.429 2.017 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc2c1OCCO2 ZINC000217393883 153297206 /nfs/dbraw/zinc/29/72/06/153297206.db2.gz XWVDMFWKERJWIG-ZDUSSCGKSA-N 1 0 278.396 2.278 20 70 CEIDRO C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000159881577 162316867 /nfs/dbraw/zinc/31/68/67/162316867.db2.gz NCQGTFGFPIAKNU-ABAIWWIYSA-N 1 0 258.365 2.036 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc(C)cs2)CC1 ZINC000159810553 162317123 /nfs/dbraw/zinc/31/71/23/162317123.db2.gz DKWKMDQHHYIKBB-LBPRGKRZSA-N 1 0 296.440 2.250 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000159976947 162319004 /nfs/dbraw/zinc/31/90/04/162319004.db2.gz MQJAWUMZQYCQJR-LLVKDONJSA-N 1 0 280.416 2.302 20 70 CEIDRO O=C(c1coc2ccccc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159982489 162320227 /nfs/dbraw/zinc/32/02/27/162320227.db2.gz FDLGAKBVCSBLBA-TXEJJXNPSA-N 1 0 270.332 2.399 20 70 CEIDRO CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000160067749 162322255 /nfs/dbraw/zinc/32/22/55/162322255.db2.gz NFMCJYBRRIBYNX-ZFWWWQNUSA-N 1 0 277.412 2.299 20 70 CEIDRO C[C@@H]([NH3+])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160121980 162322717 /nfs/dbraw/zinc/32/27/17/162322717.db2.gz AYLHGABHXBZMRK-CYBMUJFWSA-N 1 0 262.397 2.499 20 70 CEIDRO CCOCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160292519 165033594 /nfs/dbraw/zinc/03/35/94/165033594.db2.gz ZWLCJXJTOJJEON-IYBDPMFKSA-N 1 0 298.471 2.234 20 70 CEIDRO CCS[C@@H]1CCCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000159766309 276395827 /nfs/dbraw/zinc/39/58/27/276395827.db2.gz NRXKXSIJMUXCSY-CHWSQXEVSA-N 1 0 270.442 2.120 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000161178271 278585391 /nfs/dbraw/zinc/58/53/91/278585391.db2.gz LVSDWBXGWMZTCW-ZIAGYGMSSA-N 1 0 284.444 2.463 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1C3CC4CC(C3)CC1C4)CC2 ZINC000160295148 279141164 /nfs/dbraw/zinc/14/11/64/279141164.db2.gz VJLIGCMNZUBDKW-RWUOKQAASA-N 1 0 286.423 2.316 20 70 CEIDRO CC(C)[C@H]([NH2+]CCC(C)(C)O)c1nnc2ccccn21 ZINC000159608093 280324654 /nfs/dbraw/zinc/32/46/54/280324654.db2.gz RZZFCCAPYKPUNW-ZDUSSCGKSA-N 1 0 276.384 2.177 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)C1=CCCC1)Cc1ccccc1 ZINC000159633990 297429553 /nfs/dbraw/zinc/42/95/53/297429553.db2.gz DXCOIFGASCFJOX-INIZCTEOSA-N 1 0 272.392 2.386 20 70 CEIDRO [NH3+]C1CCC(NC(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160108629 303360923 /nfs/dbraw/zinc/36/09/23/303360923.db2.gz MOHZIIQQRWQYCA-UHFFFAOYSA-N 1 0 276.424 2.445 20 70 CEIDRO [NH3+][C@@H]1CC[C@H](C(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000161450021 303472886 /nfs/dbraw/zinc/47/28/86/303472886.db2.gz HJELUOUCCQNPSK-QWHCGFSZSA-N 1 0 282.453 2.392 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCOc2cccc(C)c2)CC1 ZINC000161208243 519645098 /nfs/dbraw/zinc/64/50/98/519645098.db2.gz LSRLVVHAIGVPCA-UHFFFAOYSA-N 1 0 290.407 2.411 20 70 CEIDRO CCCCOCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000160508577 520749023 /nfs/dbraw/zinc/74/90/23/520749023.db2.gz SFAAICFRCWXKNU-KBPBESRZSA-N 1 0 270.417 2.217 20 70 CEIDRO CCCCn1ncc(C(=O)NC[C@@H](C)[NH+](CC)CC)c1C ZINC000161426428 521397935 /nfs/dbraw/zinc/39/79/35/521397935.db2.gz FBNFFEFRRKKSRE-CYBMUJFWSA-N 1 0 294.443 2.452 20 70 CEIDRO [NH3+]CCCNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000160001646 534611714 /nfs/dbraw/zinc/61/17/14/534611714.db2.gz KYKRZXVGXYPDKO-UHFFFAOYSA-N 1 0 291.178 2.227 20 70 CEIDRO CC[C@H](COC)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160713498 522257017 /nfs/dbraw/zinc/25/70/17/522257017.db2.gz ZCSRORVYGWSITJ-VXGBXAGGSA-N 1 0 262.353 2.127 20 70 CEIDRO COc1cc(C)nc(CNCC2([NH+](C)C)CCCC2)c1 ZINC000160902215 522288312 /nfs/dbraw/zinc/28/83/12/522288312.db2.gz ZCKAOEFROJGUAE-UHFFFAOYSA-N 1 0 277.412 2.363 20 70 CEIDRO COc1cccc([C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160659302 524140389 /nfs/dbraw/zinc/14/03/89/524140389.db2.gz GVHBWUCSXIFQLM-AEGPPILISA-N 1 0 288.391 2.152 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cccnc1 ZINC000160918676 525575467 /nfs/dbraw/zinc/57/54/67/525575467.db2.gz XLXMVKXYMAXYLC-CFVMTHIKSA-N 1 0 262.353 2.070 20 70 CEIDRO C(CN1CCC[C@H]1C[NH+]1CCCCC1)OCC1CC1 ZINC000160413854 527480512 /nfs/dbraw/zinc/48/05/12/527480512.db2.gz NIIMUWJPFSTOOO-INIZCTEOSA-N 1 0 266.429 2.363 20 70 CEIDRO CC(C)[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+](C)C ZINC000159705710 528362472 /nfs/dbraw/zinc/36/24/72/528362472.db2.gz JCDYBWQQHCGYDF-INIZCTEOSA-N 1 0 287.407 2.413 20 70 CEIDRO CCOCCC[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000160438135 528662307 /nfs/dbraw/zinc/66/23/07/528662307.db2.gz VIFPUKYWXYEZKV-UHFFFAOYSA-N 1 0 292.423 2.239 20 70 CEIDRO CN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000160121370 529837926 /nfs/dbraw/zinc/83/79/26/529837926.db2.gz CPPTWPYPHMMDQH-ZDUSSCGKSA-N 1 0 299.777 2.087 20 70 CEIDRO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000159455871 344455056 /nfs/dbraw/zinc/45/50/56/344455056.db2.gz VDGCVKGADNMYOA-NWDGAFQWSA-N 1 0 296.440 2.235 20 70 CEIDRO CCCCOCCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000160311277 344458499 /nfs/dbraw/zinc/45/84/99/344458499.db2.gz OGNDJCMGIQODIF-MRXNPFEDSA-N 1 0 290.407 2.196 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000160737500 232252942 /nfs/dbraw/zinc/25/29/42/232252942.db2.gz SMUWPZIRDVJLKG-UKRRQHHQSA-N 1 0 260.381 2.357 20 70 CEIDRO [NH3+]CCCNC(=O)C1CCC(c2ccccc2)CC1 ZINC000160089359 188454189 /nfs/dbraw/zinc/45/41/89/188454189.db2.gz QFFOFMPRAVURNG-UHFFFAOYSA-N 1 0 260.381 2.425 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000160054091 188453527 /nfs/dbraw/zinc/45/35/27/188453527.db2.gz OMCONRCXXPZOFO-UHFFFAOYSA-N 1 0 285.347 2.341 20 70 CEIDRO Cc1noc(C)c1[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159632551 540100596 /nfs/dbraw/zinc/10/05/96/540100596.db2.gz INEBZJWFNYYXLE-SNVBAGLBSA-N 1 0 279.384 2.173 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1 ZINC000160594263 540119555 /nfs/dbraw/zinc/11/95/55/540119555.db2.gz CCTMWEOYVQPHQP-CQSZACIVSA-N 1 0 297.402 2.214 20 70 CEIDRO CC(C)OCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000160363845 540115690 /nfs/dbraw/zinc/11/56/90/540115690.db2.gz DJMXJXITRWZWEI-CQSZACIVSA-N 1 0 264.369 2.008 20 70 CEIDRO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000160819239 540124564 /nfs/dbraw/zinc/12/45/64/540124564.db2.gz UJYDALRWDSIDIV-ZIAGYGMSSA-N 1 0 278.371 2.489 20 70 CEIDRO C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161225772 540135237 /nfs/dbraw/zinc/13/52/37/540135237.db2.gz DSSSJIWVSPRBCB-ILXRZTDVSA-N 1 0 290.407 2.478 20 70 CEIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2(C)COC2)cc1 ZINC000159504858 540412561 /nfs/dbraw/zinc/41/25/61/540412561.db2.gz PQLRSANSEDLBNF-GFCCVEGCSA-N 1 0 297.420 2.167 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000159731101 540430571 /nfs/dbraw/zinc/43/05/71/540430571.db2.gz CJVWLICNSCMHKG-OAHLLOKOSA-N 1 0 287.407 2.064 20 70 CEIDRO [NH3+]C1(CNC(=O)c2ccnc(Cl)c2)CCCCC1 ZINC000159696721 366939979 /nfs/dbraw/zinc/93/99/79/366939979.db2.gz XZOLTXNDLGCODQ-UHFFFAOYSA-N 1 0 267.760 2.126 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159694607 366940105 /nfs/dbraw/zinc/94/01/05/366940105.db2.gz NPCXBYWMLRWVHZ-WCQYABFASA-N 1 0 271.364 2.254 20 70 CEIDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCO ZINC000159697386 366940424 /nfs/dbraw/zinc/94/04/24/366940424.db2.gz QGJKWQPZWKKUAB-ZJUUUORDSA-N 1 0 250.367 2.370 20 70 CEIDRO CC[C@H]([NH3+])C(=O)NCCOc1ccccc1C(C)(C)C ZINC000159512346 366921481 /nfs/dbraw/zinc/92/14/81/366921481.db2.gz KGBOWUASZPNAHU-ZDUSSCGKSA-N 1 0 278.396 2.216 20 70 CEIDRO CC(C)n1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)cn1 ZINC000159569525 366926429 /nfs/dbraw/zinc/92/64/29/366926429.db2.gz GEKOOXZPSRJEGD-CYBMUJFWSA-N 1 0 278.400 2.127 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000159600405 366931064 /nfs/dbraw/zinc/93/10/64/366931064.db2.gz NDZIKFJLCWITNF-WFASDCNBSA-N 1 0 286.375 2.048 20 70 CEIDRO C[NH2+]CC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159600970 366931304 /nfs/dbraw/zinc/93/13/04/366931304.db2.gz BHPAASNMSWSZEK-UHFFFAOYSA-N 1 0 262.353 2.304 20 70 CEIDRO CC(C)(O)CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159622096 366933150 /nfs/dbraw/zinc/93/31/50/366933150.db2.gz OGUJCIDCIFPHRM-QGZVFWFLSA-N 1 0 275.392 2.321 20 70 CEIDRO CC[C@@H](C)OCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159661322 366936836 /nfs/dbraw/zinc/93/68/36/366936836.db2.gz ZJQXYYRDZCWMMY-CQSZACIVSA-N 1 0 272.433 2.427 20 70 CEIDRO C[C@H]([NH2+]CCO)c1ccc(F)cc1Br ZINC000159687611 366938488 /nfs/dbraw/zinc/93/84/88/366938488.db2.gz IDAOTICJJWIOFR-ZETCQYMHSA-N 1 0 262.122 2.231 20 70 CEIDRO OC[C@@H]1CCCN1Cc1noc(C2CCCCC2)n1 ZINC000159851911 366952668 /nfs/dbraw/zinc/95/26/68/366952668.db2.gz YPRGLVOSCLTFRO-LBPRGKRZSA-N 1 0 265.357 2.074 20 70 CEIDRO Cc1cccc(CCC(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159834688 366953707 /nfs/dbraw/zinc/95/37/07/366953707.db2.gz GSQISTJAORCVPK-OAHLLOKOSA-N 1 0 260.381 2.123 20 70 CEIDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC000159914508 366959838 /nfs/dbraw/zinc/95/98/38/366959838.db2.gz FVPQVNUFOQBMFM-HNNXBMFYSA-N 1 0 296.455 2.430 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159995896 366963253 /nfs/dbraw/zinc/96/32/53/366963253.db2.gz QEGVEBUOQYABDT-YNEHKIRRSA-N 1 0 267.417 2.345 20 70 CEIDRO C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000159998892 366963927 /nfs/dbraw/zinc/96/39/27/366963927.db2.gz LKZQGULGSLKINL-OCCSQVGLSA-N 1 0 291.439 2.491 20 70 CEIDRO C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000159999166 366964431 /nfs/dbraw/zinc/96/44/31/366964431.db2.gz LKZQGULGSLKINL-TZMCWYRMSA-N 1 0 291.439 2.491 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CSc1ccccc1Cl ZINC000160031121 366966759 /nfs/dbraw/zinc/96/67/59/366966759.db2.gz IPILBPGALMZNFP-UHFFFAOYSA-N 1 0 272.801 2.286 20 70 CEIDRO C[C@@H](NC(=O)NCC1(C2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000160034472 366967240 /nfs/dbraw/zinc/96/72/40/366967240.db2.gz RIRHHMBUSKMIOE-GFCCVEGCSA-N 1 0 281.444 2.452 20 70 CEIDRO Cc1ccc(-c2noc(CN(C)[C@@H](C[NH3+])C3CC3)n2)cc1 ZINC000160052699 366969020 /nfs/dbraw/zinc/96/90/20/366969020.db2.gz UCKCPJWJUFTQHJ-AWEZNQCLSA-N 1 0 286.379 2.214 20 70 CEIDRO Cc1nc(-c2ccccc2)ccc1C(=O)NCCC[NH3+] ZINC000160078890 366971642 /nfs/dbraw/zinc/97/16/42/366971642.db2.gz TWEFWYQJHYVAAZ-UHFFFAOYSA-N 1 0 269.348 2.136 20 70 CEIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000160102568 366972879 /nfs/dbraw/zinc/97/28/79/366972879.db2.gz DCZKHTHUKHIUKJ-RDJZCZTQSA-N 1 0 272.392 2.319 20 70 CEIDRO C[C@@H]1CCC[C@H](NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160117779 366974846 /nfs/dbraw/zinc/97/48/46/366974846.db2.gz UHFGWHIPOZKWKB-XKSGDERDSA-N 1 0 294.439 2.214 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000160252337 366987560 /nfs/dbraw/zinc/98/75/60/366987560.db2.gz IYBVJNLLIKYDID-JTQLQIEISA-N 1 0 299.802 2.170 20 70 CEIDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc(C)c1OC(F)F ZINC000160322409 366994838 /nfs/dbraw/zinc/99/48/38/366994838.db2.gz RQAIJWOKQVCTER-GFCCVEGCSA-N 1 0 298.333 2.355 20 70 CEIDRO CCOC(=O)N(C)C1CC[NH+](CCSCC)CC1 ZINC000160318690 366995669 /nfs/dbraw/zinc/99/56/69/366995669.db2.gz RPBKLDUDNHKEFB-UHFFFAOYSA-N 1 0 274.430 2.292 20 70 CEIDRO COc1cc(NC(=O)C2([NH3+])CCCCC2)ccc1F ZINC000160335309 366996587 /nfs/dbraw/zinc/99/65/87/366996587.db2.gz IVYBZGQDDCTKOQ-UHFFFAOYSA-N 1 0 266.316 2.434 20 70 CEIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000160362851 366999375 /nfs/dbraw/zinc/99/93/75/366999375.db2.gz WSNDDLQIQDHOGH-LSDHHAIUSA-N 1 0 282.428 2.086 20 70 CEIDRO CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)c1c(C)noc1C ZINC000160413723 367003716 /nfs/dbraw/zinc/00/37/16/367003716.db2.gz LIBIKWOALPRIJB-GXTWGEPZSA-N 1 0 281.400 2.445 20 70 CEIDRO CC(C)CCOc1ccc(CN2CCNC(=O)C2)cc1 ZINC000160505021 367012022 /nfs/dbraw/zinc/01/20/22/367012022.db2.gz WVIIRVSOXVYRJM-UHFFFAOYSA-N 1 0 276.380 2.043 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000160514456 367012312 /nfs/dbraw/zinc/01/23/12/367012312.db2.gz PCYIQKBMDOQMOE-ZDUSSCGKSA-N 1 0 266.772 2.093 20 70 CEIDRO C[N@@H+]1CCC[C@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160775948 367034207 /nfs/dbraw/zinc/03/42/07/367034207.db2.gz QZJCBOYYKIBHTL-LBPRGKRZSA-N 1 0 295.452 2.194 20 70 CEIDRO Cn1cnnc1CN(Cc1ccco1)C1CCCC1 ZINC000160810406 367035024 /nfs/dbraw/zinc/03/50/24/367035024.db2.gz OFSMBDLTWOQRMA-UHFFFAOYSA-N 1 0 260.341 2.353 20 70 CEIDRO CN(CCCCc1ccccc1)Cc1nncn1C ZINC000160806664 367035873 /nfs/dbraw/zinc/03/58/73/367035873.db2.gz PAYZXRFDGMXCIU-UHFFFAOYSA-N 1 0 258.369 2.270 20 70 CEIDRO CC1(C)CC[C@H](C[N@H+](CCO)Cc2ccccc2)O1 ZINC000160833040 367037102 /nfs/dbraw/zinc/03/71/02/367037102.db2.gz VRLXOPGHPICXFU-OAHLLOKOSA-N 1 0 263.381 2.439 20 70 CEIDRO CC(C)c1cnc(NC(=O)C[C@@H]2CCC[NH2+]2)s1 ZINC000160896396 367041336 /nfs/dbraw/zinc/04/13/36/367041336.db2.gz TWRSDDSAXKRYIH-VIFPVBQESA-N 1 0 253.371 2.347 20 70 CEIDRO CC[C@H](C)OCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160899610 367041610 /nfs/dbraw/zinc/04/16/10/367041610.db2.gz AQJOFYQXLTXKAC-BARDWOONSA-N 1 0 284.444 2.284 20 70 CEIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC1 ZINC000160923777 367043494 /nfs/dbraw/zinc/04/34/94/367043494.db2.gz GSVKWALDHNGODA-CQSZACIVSA-N 1 0 267.417 2.301 20 70 CEIDRO CS[C@H](C)CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000160926611 367044068 /nfs/dbraw/zinc/04/40/68/367044068.db2.gz OWGRORQZUNWVAT-YNEHKIRRSA-N 1 0 272.458 2.365 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)c2cnc(CC)s2)CC1 ZINC000161068087 367053839 /nfs/dbraw/zinc/05/38/39/367053839.db2.gz WVZJRNFTUUGZLA-UHFFFAOYSA-N 1 0 281.425 2.167 20 70 CEIDRO C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)Cc1cccs1 ZINC000161093555 367056550 /nfs/dbraw/zinc/05/65/50/367056550.db2.gz JXMJOZHOGUMMQX-ZYHUDNBSSA-N 1 0 268.426 2.416 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000161137356 367060797 /nfs/dbraw/zinc/06/07/97/367060797.db2.gz PZWIRNYMVCSLCR-JTQLQIEISA-N 1 0 260.337 2.189 20 70 CEIDRO CSc1cc2c(cc1C[NH2+]C(C)(C)[C@H](C)O)OCCO2 ZINC000161130688 367061091 /nfs/dbraw/zinc/06/10/91/367061091.db2.gz GRZONGRXFXQCEN-JTQLQIEISA-N 1 0 297.420 2.429 20 70 CEIDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000161183587 367065281 /nfs/dbraw/zinc/06/52/81/367065281.db2.gz KXDZHYDPJCFCRW-AWEZNQCLSA-N 1 0 289.414 2.180 20 70 CEIDRO CS[C@H](C)CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000161365185 367080927 /nfs/dbraw/zinc/08/09/27/367080927.db2.gz MBAIHCVIHSJHEL-GFCCVEGCSA-N 1 0 272.458 2.365 20 70 CEIDRO CC1(O)CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000161191071 367066557 /nfs/dbraw/zinc/06/65/57/367066557.db2.gz RXGCSRWHXSLFIG-UHFFFAOYSA-N 1 0 280.343 2.001 20 70 CEIDRO CCN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161277113 367074360 /nfs/dbraw/zinc/07/43/60/367074360.db2.gz SFYPUUMGAWWXST-CYBMUJFWSA-N 1 0 290.411 2.268 20 70 CEIDRO C[C@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCS1 ZINC000160707796 367028280 /nfs/dbraw/zinc/02/82/80/367028280.db2.gz PIYQPZCJQIAUFJ-IUODEOHRSA-N 1 0 297.468 2.056 20 70 CEIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1(C)CCC1 ZINC000161389760 367082403 /nfs/dbraw/zinc/08/24/03/367082403.db2.gz BMCQYRQTKRPJQO-CYBMUJFWSA-N 1 0 267.417 2.493 20 70 CEIDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000161411050 367083787 /nfs/dbraw/zinc/08/37/87/367083787.db2.gz ODFZIXBFEMUVGB-GXTWGEPZSA-N 1 0 264.369 2.454 20 70 CEIDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2c1cccc2Cl ZINC000161472457 367089301 /nfs/dbraw/zinc/08/93/01/367089301.db2.gz BKMKLTNHBKLNSH-ZDUSSCGKSA-N 1 0 264.756 2.323 20 70 CEIDRO COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000217642840 370197894 /nfs/dbraw/zinc/19/78/94/370197894.db2.gz RVHYFSFPFAUBEK-HOTGVXAUSA-N 1 0 290.407 2.420 20 70 CEIDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218128611 370204966 /nfs/dbraw/zinc/20/49/66/370204966.db2.gz DEPPWTSNFFGKAH-LBPRGKRZSA-N 1 0 271.364 2.268 20 70 CEIDRO COCCN(CC[NH2+]Cc1ccco1)C(=O)OC(C)(C)C ZINC000218139228 370206560 /nfs/dbraw/zinc/20/65/60/370206560.db2.gz QYWVSEFGSXJWJL-UHFFFAOYSA-N 1 0 298.383 2.253 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cn2ccccc2n1 ZINC000218318738 370208265 /nfs/dbraw/zinc/20/82/65/370208265.db2.gz HQHHEEONUZMVSO-CYBMUJFWSA-N 1 0 260.385 2.154 20 70 CEIDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160275376 395059899 /nfs/dbraw/zinc/05/98/99/395059899.db2.gz HLVROHGZTCMIPF-AWEZNQCLSA-N 1 0 279.428 2.304 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000160985368 395062706 /nfs/dbraw/zinc/06/27/06/395062706.db2.gz HDYDVHXSDVGCBU-AWEZNQCLSA-N 1 0 278.421 2.131 20 70 CEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2C[C@@H]2c2cccnc2)C1 ZINC000161315059 395063769 /nfs/dbraw/zinc/06/37/69/395063769.db2.gz VXTSRGMIUABMOT-MIGQKNRLSA-N 1 0 287.407 2.030 20 70 CEIDRO COC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161051364 400283694 /nfs/dbraw/zinc/28/36/94/400283694.db2.gz BDMIQBATHKSWDM-AWEZNQCLSA-N 1 0 290.407 2.224 20 70 CEIDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000217323388 153298036 /nfs/dbraw/zinc/29/80/36/153298036.db2.gz UJUSKTGCNJCDII-ZIAGYGMSSA-N 1 0 292.427 2.130 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000159678858 162309677 /nfs/dbraw/zinc/30/96/77/162309677.db2.gz YCOFBCKPILCOTB-ZYHUDNBSSA-N 1 0 293.436 2.496 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159825949 162316079 /nfs/dbraw/zinc/31/60/79/162316079.db2.gz KCUDQDUQFIZOEV-CVEARBPZSA-N 1 0 272.392 2.266 20 70 CEIDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159879295 162316935 /nfs/dbraw/zinc/31/69/35/162316935.db2.gz DUHVSQURRFRWPQ-MRXNPFEDSA-N 1 0 283.375 2.353 20 70 CEIDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCOCC)C1 ZINC000159881098 162317186 /nfs/dbraw/zinc/31/71/86/162317186.db2.gz LIBBCTNJEBMLEZ-HUUCEWRRSA-N 1 0 284.444 2.430 20 70 CEIDRO CCOc1c(F)cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159921976 162318876 /nfs/dbraw/zinc/31/88/76/162318876.db2.gz MSQHRDKDLXJQRV-TXEJJXNPSA-N 1 0 292.354 2.191 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000159982113 162320609 /nfs/dbraw/zinc/32/06/09/162320609.db2.gz ADWCDFPMWYKDPN-GZBFAFLISA-N 1 0 290.407 2.255 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160121173 162322804 /nfs/dbraw/zinc/32/28/04/162322804.db2.gz BKBGJMZULJLUGI-RSUWNVLCSA-N 1 0 282.428 2.070 20 70 CEIDRO CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000160038793 162324323 /nfs/dbraw/zinc/32/43/23/162324323.db2.gz KEBQNORBDRQCOM-ZFWWWQNUSA-N 1 0 277.412 2.441 20 70 CEIDRO O[C@@H]([C@H]1CCCN1Cc1cnc2ccccn12)C(F)(F)F ZINC000160238276 162324628 /nfs/dbraw/zinc/32/46/28/162324628.db2.gz LDAZJEUKGZSAQH-YPMHNXCESA-N 1 0 299.296 2.222 20 70 CEIDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000160219462 162325938 /nfs/dbraw/zinc/32/59/38/162325938.db2.gz YWUFRVLIGQUHIZ-CZUORRHYSA-N 1 0 263.381 2.433 20 70 CEIDRO CCC[C@@]1(C)CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160933992 276036320 /nfs/dbraw/zinc/03/63/20/276036320.db2.gz XUUJIZOTAOUBEW-HIFRSBDPSA-N 1 0 252.402 2.415 20 70 CEIDRO CC1(C)C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000161396735 278365193 /nfs/dbraw/zinc/36/51/93/278365193.db2.gz KCRHEDIGNDQNFH-TZMCWYRMSA-N 1 0 288.391 2.405 20 70 CEIDRO c1nc2ccccn2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000159807176 297431337 /nfs/dbraw/zinc/43/13/37/297431337.db2.gz VTUWHXBLSFLOSF-UHFFFAOYSA-N 1 0 284.407 2.395 20 70 CEIDRO COc1cc2c(cc1C[NH2+]C(C)(C)[C@H](C)O)O[C@@H](C)C2 ZINC000161145795 297442413 /nfs/dbraw/zinc/44/24/13/297442413.db2.gz LSLZQAVUXJLUDM-QWRGUYRKSA-N 1 0 279.380 2.268 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000160355613 519850800 /nfs/dbraw/zinc/85/08/00/519850800.db2.gz LLQQJTZBFLMQFT-UHFFFAOYSA-N 1 0 281.787 2.293 20 70 CEIDRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160407233 520670707 /nfs/dbraw/zinc/67/07/07/520670707.db2.gz ZKDQKSJQRWBTIF-ZBFHGGJFSA-N 1 0 297.487 2.343 20 70 CEIDRO CCC[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000161446198 520820547 /nfs/dbraw/zinc/82/05/47/520820547.db2.gz PHUSDZMJMRTTNS-CQSZACIVSA-N 1 0 252.402 2.415 20 70 CEIDRO CCOCCC1(C(=O)NC[C@@H](C)[NH+](CC)CC)CCC1 ZINC000161440330 521679677 /nfs/dbraw/zinc/67/96/77/521679677.db2.gz KFILYOVHUPJDDM-CQSZACIVSA-N 1 0 284.444 2.430 20 70 CEIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000160384684 526142052 /nfs/dbraw/zinc/14/20/52/526142052.db2.gz YNIJLLQDPBHNJA-GASCZTMLSA-N 1 0 258.365 2.270 20 70 CEIDRO CC(C)(C[NH3+])C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160833188 527068762 /nfs/dbraw/zinc/06/87/62/527068762.db2.gz DVMGLQCYHKSDOO-LLVKDONJSA-N 1 0 288.313 2.261 20 70 CEIDRO CCOCCC1(C(=O)NCC(C)(C)C[NH+](C)C)CCC1 ZINC000160701675 528602204 /nfs/dbraw/zinc/60/22/04/528602204.db2.gz GXORNMPDNXWZSM-UHFFFAOYSA-N 1 0 284.444 2.287 20 70 CEIDRO CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000160936241 574512846 /nfs/dbraw/zinc/51/28/46/574512846.db2.gz JPOFHGGXRZJMMD-CHWSQXEVSA-N 1 0 292.379 2.094 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000160421922 574511531 /nfs/dbraw/zinc/51/15/31/574511531.db2.gz MVGFLKQDKKDCAJ-STQMWFEESA-N 1 0 270.417 2.215 20 70 CEIDRO CC(C)OC[C@H](O)C[NH2+]Cc1cccc2cccnc21 ZINC000159413775 344455236 /nfs/dbraw/zinc/45/52/36/344455236.db2.gz NTKVMKWRPLPYSR-OAHLLOKOSA-N 1 0 274.364 2.110 20 70 CEIDRO Cc1ccccc1[C@H]1CN(C(=O)CC[NH2+]C(C)C)CCO1 ZINC000160841080 344462057 /nfs/dbraw/zinc/46/20/57/344462057.db2.gz YVAWWQFGJKAPNF-MRXNPFEDSA-N 1 0 290.407 2.283 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1nn(C)c2ccccc12 ZINC000218185918 344536490 /nfs/dbraw/zinc/53/64/90/344536490.db2.gz VSZJGSOWFDHWJU-ZDUSSCGKSA-N 1 0 274.412 2.393 20 70 CEIDRO Cn1ncc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C(F)(F)F ZINC000159810121 530018098 /nfs/dbraw/zinc/01/80/98/530018098.db2.gz XGGYPEUIRRGTMR-ONGXEEELSA-N 1 0 291.317 2.032 20 70 CEIDRO CN(Cc1nc(-c2ccc(F)cc2)no1)[C@H](C[NH3+])C1CC1 ZINC000160119129 530020866 /nfs/dbraw/zinc/02/08/66/530020866.db2.gz GZGRXSYCYAUFBF-CYBMUJFWSA-N 1 0 290.342 2.045 20 70 CEIDRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCN(C)C1)O[C@@H](C)C2 ZINC000218741539 539776201 /nfs/dbraw/zinc/77/62/01/539776201.db2.gz KNEAAEYYSIWNKA-SWLSCSKDSA-N 1 0 290.407 2.202 20 70 CEIDRO Cc1nc2ccccc2c(C)c1CC(=O)NCC(C)(C)[NH3+] ZINC000160008974 540109523 /nfs/dbraw/zinc/10/95/23/540109523.db2.gz BOSIFQWSRNNRIK-UHFFFAOYSA-N 1 0 285.391 2.248 20 70 CEIDRO CCCn1nccc1CNC[C@@H](CC(C)C)[NH+](C)C ZINC000159990331 540109926 /nfs/dbraw/zinc/10/99/26/540109926.db2.gz WZMZZFPUPGQQHZ-OAHLLOKOSA-N 1 0 266.433 2.359 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2cccs2)C1 ZINC000160950643 540128270 /nfs/dbraw/zinc/12/82/70/540128270.db2.gz YBROCHAPRKMQDM-RYUDHWBXSA-N 1 0 266.410 2.457 20 70 CEIDRO CSc1ccsc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161027591 540130738 /nfs/dbraw/zinc/13/07/38/540130738.db2.gz IZFVSTGCVXYPPD-DTWKUNHWSA-N 1 0 270.423 2.470 20 70 CEIDRO CCc1ccsc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161292143 540136529 /nfs/dbraw/zinc/13/65/29/540136529.db2.gz QRUIAFHHPZXVCC-MNOVXSKESA-N 1 0 252.383 2.310 20 70 CEIDRO Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161399201 540137397 /nfs/dbraw/zinc/13/73/97/540137397.db2.gz KHOJZLMULQHCJX-QWHCGFSZSA-N 1 0 296.798 2.413 20 70 CEIDRO CC[N@H+](CCCCS(C)(=O)=O)C1CCCCC1 ZINC000161381023 540804624 /nfs/dbraw/zinc/80/46/24/540804624.db2.gz YSEZCDNEBQCLQU-UHFFFAOYSA-N 1 0 261.431 2.466 20 70 CEIDRO CC(=O)NC1CCC([NH2+]Cc2cc(C(C)C)no2)CC1 ZINC000161483566 540839528 /nfs/dbraw/zinc/83/95/28/540839528.db2.gz IWYBUWFTZKIGGW-UHFFFAOYSA-N 1 0 279.384 2.335 20 70 CEIDRO Cc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cn1 ZINC000161472399 540836532 /nfs/dbraw/zinc/83/65/32/540836532.db2.gz SADRWBLWTFRGJJ-UHFFFAOYSA-N 1 0 276.384 2.384 20 70 CEIDRO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000159711612 366941727 /nfs/dbraw/zinc/94/17/27/366941727.db2.gz LYQQYNHRSFWJFP-CABCVRRESA-N 1 0 296.455 2.430 20 70 CEIDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159361488 366906248 /nfs/dbraw/zinc/90/62/48/366906248.db2.gz VUBDDVREKJBKNX-CHWSQXEVSA-N 1 0 292.423 2.451 20 70 CEIDRO CCc1cccc2c(CCNC(=O)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC000159371839 366906862 /nfs/dbraw/zinc/90/68/62/366906862.db2.gz XKWVTWKJNLKFJK-OAHLLOKOSA-N 1 0 299.418 2.389 20 70 CEIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cncn1C ZINC000159406232 366909491 /nfs/dbraw/zinc/90/94/91/366909491.db2.gz KURWOZPBHSBYKU-UHFFFAOYSA-N 1 0 286.423 2.420 20 70 CEIDRO c1csc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159470821 366916681 /nfs/dbraw/zinc/91/66/81/366916681.db2.gz PVZGRUYBYMPKRO-JLLWLGSASA-N 1 0 250.367 2.190 20 70 CEIDRO CCOc1cccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159505639 366921186 /nfs/dbraw/zinc/92/11/86/366921186.db2.gz LLXGZJZQIXAEOE-GXTWGEPZSA-N 1 0 276.380 2.171 20 70 CEIDRO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O)c(C)c1 ZINC000159561273 366926955 /nfs/dbraw/zinc/92/69/55/366926955.db2.gz URNUETKOIPFBNV-ZIAGYGMSSA-N 1 0 278.396 2.251 20 70 CEIDRO Cc1cccc2c(CCNC(=O)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC000159560568 366927297 /nfs/dbraw/zinc/92/72/97/366927297.db2.gz VMSDVYGROZHHRD-AWEZNQCLSA-N 1 0 285.391 2.135 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159592382 366929973 /nfs/dbraw/zinc/92/99/73/366929973.db2.gz XOSIMPIGZODFMZ-TZMCWYRMSA-N 1 0 286.379 2.177 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159603879 366931227 /nfs/dbraw/zinc/93/12/27/366931227.db2.gz KXWVXDCYRXALAQ-CYBMUJFWSA-N 1 0 292.404 2.225 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000159803640 366950180 /nfs/dbraw/zinc/95/01/80/366950180.db2.gz XKFLUVJTOMARKK-OUCADQQQSA-N 1 0 278.371 2.386 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ncc(C)s2)CC1 ZINC000159953375 366960829 /nfs/dbraw/zinc/96/08/29/366960829.db2.gz MZLBDKRMDWRIDC-GFCCVEGCSA-N 1 0 296.440 2.250 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159995566 366963651 /nfs/dbraw/zinc/96/36/51/366963651.db2.gz KNMZNINROUNKGW-LBPRGKRZSA-N 1 0 297.196 2.322 20 70 CEIDRO CCN(CC(C)C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160109602 366974816 /nfs/dbraw/zinc/97/48/16/366974816.db2.gz TXMMRHIBCOPOJH-HEHGZKQESA-N 1 0 282.428 2.023 20 70 CEIDRO CCc1cccc(CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000160130706 366976852 /nfs/dbraw/zinc/97/68/52/366976852.db2.gz PRTCHCGISOFDPV-INIZCTEOSA-N 1 0 274.408 2.250 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000160262943 366988171 /nfs/dbraw/zinc/98/81/71/366988171.db2.gz OFHWCPOIHYOOOD-GFCCVEGCSA-N 1 0 284.812 2.133 20 70 CEIDRO c1cn(C2CC[NH+](Cc3cnc4ccccn34)CC2)cn1 ZINC000160330036 366995497 /nfs/dbraw/zinc/99/54/97/366995497.db2.gz SOEZKBJLOFYTAK-UHFFFAOYSA-N 1 0 281.363 2.368 20 70 CEIDRO COC[C@@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000160571232 367018463 /nfs/dbraw/zinc/01/84/63/367018463.db2.gz UKELGVRSIHVRLQ-VIFPVBQESA-N 1 0 273.174 2.216 20 70 CEIDRO CCC(=O)Nc1cccc(C(=O)NCC([NH3+])(CC)CC)c1 ZINC000160491904 367010826 /nfs/dbraw/zinc/01/08/26/367010826.db2.gz FEUATYXYHATEGA-UHFFFAOYSA-N 1 0 291.395 2.282 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cnn(CC(C)C)c1C ZINC000160501473 367011172 /nfs/dbraw/zinc/01/11/72/367011172.db2.gz MHNFFOUMVCIXLA-CYBMUJFWSA-N 1 0 294.443 2.308 20 70 CEIDRO CCC[N@H+](CC)CCNCc1ccccc1NC(C)=O ZINC000160517871 367012070 /nfs/dbraw/zinc/01/20/70/367012070.db2.gz RKXJNBSKVOTALP-UHFFFAOYSA-N 1 0 277.412 2.467 20 70 CEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(F)(F)F ZINC000160512856 367012651 /nfs/dbraw/zinc/01/26/51/367012651.db2.gz VPGYUJCLLZWAQK-ZJUUUORDSA-N 1 0 268.323 2.421 20 70 CEIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160542263 367015530 /nfs/dbraw/zinc/01/55/30/367015530.db2.gz LNSSEQHKSHWKLX-CYBMUJFWSA-N 1 0 278.371 2.347 20 70 CEIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000160571550 367017716 /nfs/dbraw/zinc/01/77/16/367017716.db2.gz OTVFVJBLYUWXPE-UKRRQHHQSA-N 1 0 298.390 2.049 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC000160799183 367035252 /nfs/dbraw/zinc/03/52/52/367035252.db2.gz LCWQOARKVCALSB-LBPRGKRZSA-N 1 0 272.348 2.484 20 70 CEIDRO CCc1nc(C)c([C@@H](C)[NH2+]CC(=O)NC(C)C)s1 ZINC000160910864 367042961 /nfs/dbraw/zinc/04/29/61/367042961.db2.gz WCTXSTOQGJANOZ-SECBINFHSA-N 1 0 269.414 2.189 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160906557 367043023 /nfs/dbraw/zinc/04/30/23/367043023.db2.gz IZLIKUGGPGELMD-VHDGCEQUSA-N 1 0 260.381 2.374 20 70 CEIDRO CCc1nc2c(s1)[C@@H]([NH2+]CC(=O)NC(C)C)CCC2 ZINC000160955442 367045744 /nfs/dbraw/zinc/04/57/44/367045744.db2.gz OTYOLRYTJKOKFZ-JTQLQIEISA-N 1 0 281.425 2.197 20 70 CEIDRO COC(C)(C)C[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000160968920 367046429 /nfs/dbraw/zinc/04/64/29/367046429.db2.gz YGMHCFPUNLDJLT-CHWSQXEVSA-N 1 0 284.444 2.332 20 70 CEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161350990 367079790 /nfs/dbraw/zinc/07/97/90/367079790.db2.gz OUXBYXDEMLDYBN-GOEBONIOSA-N 1 0 274.408 2.493 20 70 CEIDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000161136733 367060772 /nfs/dbraw/zinc/06/07/72/367060772.db2.gz COXYVJIHGXELMO-OAHLLOKOSA-N 1 0 293.386 2.454 20 70 CEIDRO CCC[N@H+](CCO)Cc1c(C)nn(CC(C)C)c1OCC ZINC000161194046 367066491 /nfs/dbraw/zinc/06/64/91/367066491.db2.gz PNVKEGANKUBMFM-UHFFFAOYSA-N 1 0 297.443 2.451 20 70 CEIDRO C[C@@H]1CN(C(=O)C2([NH3+])CC2)CC[C@@H]1c1ccccc1 ZINC000161231156 367069873 /nfs/dbraw/zinc/06/98/73/367069873.db2.gz QMIANWNUSOQNAA-OCCSQVGLSA-N 1 0 258.365 2.130 20 70 CEIDRO C[NH2+]CC(=O)N(CCc1ccc(C)cc1)CC(F)(F)F ZINC000161249203 367071594 /nfs/dbraw/zinc/07/15/94/367071594.db2.gz CETWYKPDVISMIO-UHFFFAOYSA-N 1 0 288.313 2.148 20 70 CEIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C[NH2+]C ZINC000161246758 367071969 /nfs/dbraw/zinc/07/19/69/367071969.db2.gz XBRAHDFBCWBSCT-HNNXBMFYSA-N 1 0 262.397 2.384 20 70 CEIDRO CCO[C@H]1C[C@@H](N(C)C(=O)C(CC)(CC)C[NH3+])C1(C)C ZINC000161240618 367072012 /nfs/dbraw/zinc/07/20/12/367072012.db2.gz LWWOENCYZZLXAP-OLZOCXBDSA-N 1 0 284.444 2.414 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161260592 367073214 /nfs/dbraw/zinc/07/32/14/367073214.db2.gz VTSPFQWFTRTVSV-CABCVRRESA-N 1 0 292.448 2.204 20 70 CEIDRO C[C@H]([NH2+]CCOCCOc1ccccc1)[C@H]1CCOC1 ZINC000160733867 367030380 /nfs/dbraw/zinc/03/03/80/367030380.db2.gz ZIVBMGLOLOWTBX-GJZGRUSLSA-N 1 0 279.380 2.097 20 70 CEIDRO CC[NH2+]CCNCc1ccc(F)cc1Br ZINC000161321862 367078765 /nfs/dbraw/zinc/07/87/65/367078765.db2.gz YWGDXNBKVACZBV-UHFFFAOYSA-N 1 0 275.165 2.287 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(NC(C)=O)cc1 ZINC000217370733 370195236 /nfs/dbraw/zinc/19/52/36/370195236.db2.gz QAOOESOIQMPWQI-CYBMUJFWSA-N 1 0 277.412 2.465 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1cccc2cccnc21 ZINC000217865385 370201889 /nfs/dbraw/zinc/20/18/89/370201889.db2.gz RKCONIFXBHKIJS-OAHLLOKOSA-N 1 0 276.405 2.438 20 70 CEIDRO c1ccc2nc(CN[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cnc2c1 ZINC000218122123 370205248 /nfs/dbraw/zinc/20/52/48/370205248.db2.gz VSZWCNRTQMIJBN-SJORKVTESA-N 1 0 282.391 2.346 20 70 CEIDRO COc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1O ZINC000218178837 370206380 /nfs/dbraw/zinc/20/63/80/370206380.db2.gz IZWHGAFESDSVOD-UHFFFAOYSA-N 1 0 296.367 2.015 20 70 CEIDRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C(F)F ZINC000218199026 370207425 /nfs/dbraw/zinc/20/74/25/370207425.db2.gz DVNIGZPMMZKBSX-UHFFFAOYSA-N 1 0 254.280 2.486 20 70 CEIDRO O=C(c1c(F)cc(F)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159786244 296161364 /nfs/dbraw/zinc/16/13/64/296161364.db2.gz JJEVNJMISSPYEA-AOOOYVTPSA-N 1 0 284.281 2.070 20 70 CEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160275249 395060312 /nfs/dbraw/zinc/06/03/12/395060312.db2.gz HLVROHGZTCMIPF-CQSZACIVSA-N 1 0 279.428 2.304 20 70 CEIDRO CC(C)NC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000161162694 395063591 /nfs/dbraw/zinc/06/35/91/395063591.db2.gz TTXJMVUOIDSQSW-GFCCVEGCSA-N 1 0 253.390 2.053 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161051965 400283732 /nfs/dbraw/zinc/28/37/32/400283732.db2.gz IVIBYVHORAUJAA-VHSXEESVSA-N 1 0 254.761 2.077 20 70 CEIDRO CC(=O)N1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218321692 153301597 /nfs/dbraw/zinc/30/15/97/153301597.db2.gz SKIPSQFKMGOGTQ-UHFFFAOYSA-N 1 0 271.364 2.268 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000159771951 162312194 /nfs/dbraw/zinc/31/21/94/162312194.db2.gz OTQCUVHACPCIID-CQSZACIVSA-N 1 0 265.401 2.080 20 70 CEIDRO CC[C@@H]1COCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159713781 162313402 /nfs/dbraw/zinc/31/34/02/162313402.db2.gz DWOXSNSUBKJUHK-OAHLLOKOSA-N 1 0 296.455 2.382 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C1CC1 ZINC000159826104 162316603 /nfs/dbraw/zinc/31/66/03/162316603.db2.gz KCUDQDUQFIZOEV-HZPDHXFCSA-N 1 0 272.392 2.266 20 70 CEIDRO CC1CCC(C[NH+]2CCC(CC(N)=O)CC2)CC1 ZINC000159843547 162316780 /nfs/dbraw/zinc/31/67/80/162316780.db2.gz PKHRLJRWZCKFCG-UHFFFAOYSA-N 1 0 252.402 2.400 20 70 CEIDRO CC(=O)NCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159962186 162318178 /nfs/dbraw/zinc/31/81/78/162318178.db2.gz MDOJXJVWYVZMPC-OAHLLOKOSA-N 1 0 261.369 2.053 20 70 CEIDRO CCO[C@@H](CCNC(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000159936924 162319278 /nfs/dbraw/zinc/31/92/78/162319278.db2.gz RSDLBINHQKFITA-HNNXBMFYSA-N 1 0 299.459 2.175 20 70 CEIDRO COC[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000159915009 162319384 /nfs/dbraw/zinc/31/93/84/162319384.db2.gz JYJUULQPIKYQIF-ZIAGYGMSSA-N 1 0 277.412 2.232 20 70 CEIDRO Cc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)nc1 ZINC000159890775 162319789 /nfs/dbraw/zinc/31/97/89/162319789.db2.gz IUPGGFRDZHHUHI-UHFFFAOYSA-N 1 0 283.379 2.257 20 70 CEIDRO CCOc1ccc(OCCN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159987181 162320768 /nfs/dbraw/zinc/32/07/68/162320768.db2.gz BTTGVKZRJQIUAW-MRXNPFEDSA-N 1 0 278.396 2.133 20 70 CEIDRO CC[C@H](C)[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160383446 287710055 /nfs/dbraw/zinc/71/00/55/287710055.db2.gz LDTOJGVIRWXSNA-CQUYNDQOSA-N 1 0 282.428 2.070 20 70 CEIDRO CC(C)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000159574675 276027472 /nfs/dbraw/zinc/02/74/72/276027472.db2.gz PRDNVYRPCVGRDE-XJKSGUPXSA-N 1 0 260.381 2.365 20 70 CEIDRO CN(C(=O)[C@@H]1CCCc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159900827 276732394 /nfs/dbraw/zinc/73/23/94/276732394.db2.gz GTZFSCAOBBSDFC-CVEARBPZSA-N 1 0 272.392 2.302 20 70 CEIDRO COC(=O)CC[N@@H+](Cc1nccn1C(C)C)CC(C)C ZINC000160860186 277317294 /nfs/dbraw/zinc/31/72/94/277317294.db2.gz IOXXSNDRPUCGOQ-UHFFFAOYSA-N 1 0 281.400 2.485 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCC2(C(C)C)CC2)CC1 ZINC000159960607 279285420 /nfs/dbraw/zinc/28/54/20/279285420.db2.gz PQDPPJHUQJWBBB-UHFFFAOYSA-N 1 0 267.417 2.160 20 70 CEIDRO Cc1cnc([C@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)s1 ZINC000159480241 292947478 /nfs/dbraw/zinc/94/74/78/292947478.db2.gz IPHOTDMNKOOKPN-LBPRGKRZSA-N 1 0 298.456 2.494 20 70 CEIDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(=O)NCC(F)(F)F ZINC000160585216 297438882 /nfs/dbraw/zinc/43/88/82/297438882.db2.gz CMJOTBHBRPXIGY-NXEZZACHSA-N 1 0 268.323 2.469 20 70 CEIDRO COCCC1(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159927418 312635779 /nfs/dbraw/zinc/63/57/79/312635779.db2.gz JIXLALVYIIKVMV-SOUVJXGZSA-N 1 0 296.455 2.286 20 70 CEIDRO CC(C)Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000160403607 519455501 /nfs/dbraw/zinc/45/55/01/519455501.db2.gz RJYLUXWEZARDDZ-TXEJJXNPSA-N 1 0 293.436 2.308 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000160358433 519850350 /nfs/dbraw/zinc/85/03/50/519850350.db2.gz VHAJNWXWKYGRIF-OAHLLOKOSA-N 1 0 290.407 2.398 20 70 CEIDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160881662 520246618 /nfs/dbraw/zinc/24/66/18/520246618.db2.gz QASFBCBCCKTHSI-HNNXBMFYSA-N 1 0 286.423 2.416 20 70 CEIDRO CN(CCC[NH+]1CCCCC1)CCc1nccs1 ZINC000161451848 522747637 /nfs/dbraw/zinc/74/76/37/522747637.db2.gz QAFIJCXMOVNSMV-UHFFFAOYSA-N 1 0 267.442 2.493 20 70 CEIDRO CCn1cc([C@H](C)[NH2+]C[C@H]2CCCCN2CC)cn1 ZINC000161189769 523473761 /nfs/dbraw/zinc/47/37/61/523473761.db2.gz RIMQPLSKJSXPKP-DZGCQCFKSA-N 1 0 264.417 2.428 20 70 CEIDRO COCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160513854 523573050 /nfs/dbraw/zinc/57/30/50/523573050.db2.gz MELLHRCWORNWLJ-PBWFPOADSA-N 1 0 298.427 2.495 20 70 CEIDRO C[C@@H]([NH2+]CCOCCOc1ccccc1)C1CCOCC1 ZINC000160752926 525453254 /nfs/dbraw/zinc/45/32/54/525453254.db2.gz UHIAAMMIZNCKOQ-OAHLLOKOSA-N 1 0 293.407 2.487 20 70 CEIDRO O=C(c1c(F)cccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160746148 526578058 /nfs/dbraw/zinc/57/80/58/526578058.db2.gz YOPJTROPBZBMBT-AOOOYVTPSA-N 1 0 282.746 2.446 20 70 CEIDRO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159880107 528421443 /nfs/dbraw/zinc/42/14/43/528421443.db2.gz ATZFCEKWBYVOCW-CYBMUJFWSA-N 1 0 277.412 2.099 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cccc2c1CCC2 ZINC000160418844 528946782 /nfs/dbraw/zinc/94/67/82/528946782.db2.gz YYXJKOXHSOUFQZ-UHFFFAOYSA-N 1 0 260.381 2.423 20 70 CEIDRO CC[C@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000160818524 529217031 /nfs/dbraw/zinc/21/70/31/529217031.db2.gz RTPZVGUMVVFVOP-ZDUSSCGKSA-N 1 0 261.431 2.322 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000160948823 574513048 /nfs/dbraw/zinc/51/30/48/574513048.db2.gz HPNPAQMBDNZGBI-ZJUUUORDSA-N 1 0 284.306 2.288 20 70 CEIDRO CCC(CC)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160901285 282166196 /nfs/dbraw/zinc/16/61/96/282166196.db2.gz VZXXMUAWXOOFFM-DVOMOZLQSA-N 1 0 282.428 2.071 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000160243104 344458265 /nfs/dbraw/zinc/45/82/65/344458265.db2.gz CBGZYBZGJPWIFB-AWEZNQCLSA-N 1 0 281.396 2.058 20 70 CEIDRO Cc1nc2ccccn2c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000160336405 344458428 /nfs/dbraw/zinc/45/84/28/344458428.db2.gz YZWBUJKWKLUFIF-CQSZACIVSA-N 1 0 272.396 2.169 20 70 CEIDRO Cc1nc2ccccn2c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000160336281 344458448 /nfs/dbraw/zinc/45/84/48/344458448.db2.gz YZWBUJKWKLUFIF-AWEZNQCLSA-N 1 0 272.396 2.169 20 70 CEIDRO CCCCS[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160856766 344462165 /nfs/dbraw/zinc/46/21/65/344462165.db2.gz FJPDRNINYUSUHV-WOPDTQHZSA-N 1 0 258.431 2.294 20 70 CEIDRO [NH3+]C1(CNC(=O)CCOc2ccccc2)CCCCC1 ZINC000159556140 188431983 /nfs/dbraw/zinc/43/19/83/188431983.db2.gz IWWYUKGCOPZMLZ-UHFFFAOYSA-N 1 0 276.380 2.233 20 70 CEIDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1C2CC3CC(C2)CC1C3 ZINC000160195378 188459547 /nfs/dbraw/zinc/45/95/47/188459547.db2.gz STNGIUOFBQNDOI-KLQAGBSFSA-N 1 0 288.435 2.458 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CCc1cc(Cl)cs1 ZINC000160052681 188452961 /nfs/dbraw/zinc/45/29/61/188452961.db2.gz MOMGQGVNZVBMRX-UHFFFAOYSA-N 1 0 260.790 2.188 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000160477957 188475917 /nfs/dbraw/zinc/47/59/17/188475917.db2.gz BCTJEKIPKWRCPX-VXGBXAGGSA-N 1 0 287.363 2.374 20 70 CEIDRO CC(C)CC1(CNC(=O)[C@@H]2CCC[NH2+]C2)CCC1 ZINC000160675065 188486471 /nfs/dbraw/zinc/48/64/71/188486471.db2.gz GXXGSVXUQSVBEA-CYBMUJFWSA-N 1 0 252.402 2.319 20 70 CEIDRO O=C(NCCCCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000160900820 188497578 /nfs/dbraw/zinc/49/75/78/188497578.db2.gz XEIHSZXQVPXRAU-AWEZNQCLSA-N 1 0 252.402 2.463 20 70 CEIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000161425145 188526279 /nfs/dbraw/zinc/52/62/79/188526279.db2.gz ICPPTSTXVGGHFJ-QWHCGFSZSA-N 1 0 295.427 2.265 20 70 CEIDRO [NH3+]Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000160063781 540111095 /nfs/dbraw/zinc/11/10/95/540111095.db2.gz OFPUGUHXFHXLTF-CHWSQXEVSA-N 1 0 259.353 2.409 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 ZINC000160539274 540118062 /nfs/dbraw/zinc/11/80/62/540118062.db2.gz MHLXVFHKRNOAGO-SNVBAGLBSA-N 1 0 262.284 2.006 20 70 CEIDRO O=C(NC[C@@H]1CCCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000160117133 540112247 /nfs/dbraw/zinc/11/22/47/540112247.db2.gz AOKYEUNYDIIDPA-CGAUPDFVSA-N 1 0 276.424 2.317 20 70 CEIDRO C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161071421 540132350 /nfs/dbraw/zinc/13/23/50/540132350.db2.gz KFEUFGVJYKGKBO-BYCMXARLSA-N 1 0 278.371 2.390 20 70 CEIDRO Cc1oc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161328158 540136984 /nfs/dbraw/zinc/13/69/84/540136984.db2.gz JDYKVGWKNGWGJW-NWDGAFQWSA-N 1 0 250.342 2.205 20 70 CEIDRO Cc1cc(F)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000161457771 540138317 /nfs/dbraw/zinc/13/83/17/540138317.db2.gz MXLZNNBCYLCQFX-UWVGGRQHSA-N 1 0 268.307 2.273 20 70 CEIDRO Cc1ncsc1CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000217732027 540412799 /nfs/dbraw/zinc/41/27/99/540412799.db2.gz HKNKEHYIJAXPMA-OAHLLOKOSA-N 1 0 276.405 2.491 20 70 CEIDRO CC[C@@H](C(=O)NC[C@H](OC)c1ccccc1Cl)[NH+](C)C ZINC000161395877 540812461 /nfs/dbraw/zinc/81/24/61/540812461.db2.gz NNCCFKBBFDYKPC-KBPBESRZSA-N 1 0 298.814 2.484 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000159677908 366939091 /nfs/dbraw/zinc/93/90/91/366939091.db2.gz VJALYUAQTWBRAP-KOLCDFICSA-N 1 0 279.409 2.106 20 70 CEIDRO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000159715883 366941951 /nfs/dbraw/zinc/94/19/51/366941951.db2.gz ARVSBZQCYRIKJC-HZPDHXFCSA-N 1 0 272.392 2.439 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159724106 366943578 /nfs/dbraw/zinc/94/35/78/366943578.db2.gz KDZGNNJRSBJNQY-ZNMIVQPWSA-N 1 0 260.381 2.422 20 70 CEIDRO c1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494417 366919490 /nfs/dbraw/zinc/91/94/90/366919490.db2.gz KFSZBKBWTXXUIN-IMJJTQAJSA-N 1 0 283.375 2.382 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159520113 366922567 /nfs/dbraw/zinc/92/25/67/366922567.db2.gz BOGNYISWLMFCLK-MJBXVCDLSA-N 1 0 290.407 2.055 20 70 CEIDRO Cc1ccc(/C=C/C(=O)NCC2([NH3+])CCCCC2)o1 ZINC000159555567 366925970 /nfs/dbraw/zinc/92/59/70/366925970.db2.gz QNRLDSFTKDTPSA-BQYQJAHWSA-N 1 0 262.353 2.379 20 70 CEIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000159603312 366931576 /nfs/dbraw/zinc/93/15/76/366931576.db2.gz VMBBULLBMDUKJJ-GFCCVEGCSA-N 1 0 272.348 2.144 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159626053 366932129 /nfs/dbraw/zinc/93/21/29/366932129.db2.gz HOYBVLXMITZSGP-CHWSQXEVSA-N 1 0 267.417 2.205 20 70 CEIDRO Cc1nc2cc(F)ccc2cc1C(=O)NCC(C)(C)[NH3+] ZINC000160014153 366964943 /nfs/dbraw/zinc/96/49/43/366964943.db2.gz OVXFGCCSBPLVGT-UHFFFAOYSA-N 1 0 275.327 2.149 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000160018736 366964965 /nfs/dbraw/zinc/96/49/65/366964965.db2.gz BWJARHAKQLKVCK-ZENOOKHLSA-N 1 0 292.354 2.297 20 70 CEIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000160085297 366972001 /nfs/dbraw/zinc/97/20/01/366972001.db2.gz LWQJEPOGHNAIKW-NWDGAFQWSA-N 1 0 286.297 2.274 20 70 CEIDRO C[N@H+](CCCNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000160220059 366984516 /nfs/dbraw/zinc/98/45/16/366984516.db2.gz BDQORKDKURDNIN-INIZCTEOSA-N 1 0 290.407 2.194 20 70 CEIDRO CCC1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160271021 366989078 /nfs/dbraw/zinc/98/90/78/366989078.db2.gz LLIRFHJRSYPAFN-JKIFEVAISA-N 1 0 294.439 2.168 20 70 CEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1CCO ZINC000160318362 366995347 /nfs/dbraw/zinc/99/53/47/366995347.db2.gz MLDGBAUOMBGKNS-CQSZACIVSA-N 1 0 273.380 2.380 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc3ccccc3c2)C1 ZINC000160467312 367008427 /nfs/dbraw/zinc/00/84/27/367008427.db2.gz FLIXYJJRQCKWOP-OAHLLOKOSA-N 1 0 284.359 2.039 20 70 CEIDRO COCc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)o1 ZINC000160469638 367009106 /nfs/dbraw/zinc/00/91/06/367009106.db2.gz IDOIWGWDOSUNDU-LLVKDONJSA-N 1 0 253.342 2.473 20 70 CEIDRO COc1ccc(CN(C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160510377 367011772 /nfs/dbraw/zinc/01/17/72/367011772.db2.gz HAAFDQFXAXLHLY-UHFFFAOYSA-N 1 0 299.436 2.340 20 70 CEIDRO Cc1ccc(CN(C)Cc2cnc3cnccn23)o1 ZINC000160848887 367038317 /nfs/dbraw/zinc/03/83/17/367038317.db2.gz NJIDIBFMSKBKAE-UHFFFAOYSA-N 1 0 256.309 2.263 20 70 CEIDRO Cc1ccc(CN(C)Cc2ccc(C(=O)N(C)C)[nH]2)o1 ZINC000160849465 367038636 /nfs/dbraw/zinc/03/86/36/367038636.db2.gz MVAULIJKCMRUNE-UHFFFAOYSA-N 1 0 275.352 2.250 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000161045530 367051004 /nfs/dbraw/zinc/05/10/04/367051004.db2.gz IERQDIZGOLEQPV-KWBADKCTSA-N 1 0 250.317 2.082 20 70 CEIDRO COc1ccc(OCC[N@H+](C)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161077723 367054670 /nfs/dbraw/zinc/05/46/70/367054670.db2.gz WRNKBRBLVOJYIA-CVEARBPZSA-N 1 0 279.380 2.309 20 70 CEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(O)cc1Cl ZINC000161089908 367056758 /nfs/dbraw/zinc/05/67/58/367056758.db2.gz ACTKZMYRZPIAKN-LBPRGKRZSA-N 1 0 296.798 2.189 20 70 CEIDRO CCOc1cc(C[NH2+]C(C)(C)[C@H](C)O)ccc1OC ZINC000161126600 367059032 /nfs/dbraw/zinc/05/90/32/367059032.db2.gz YNKGBFNJWDQKOO-NSHDSACASA-N 1 0 267.369 2.343 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cccc2c1OCCCO2 ZINC000161125081 367059848 /nfs/dbraw/zinc/05/98/48/367059848.db2.gz CKQNMLWWOKXONT-LLVKDONJSA-N 1 0 265.353 2.097 20 70 CEIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161138408 367060847 /nfs/dbraw/zinc/06/08/47/367060847.db2.gz LGNJTVIARYCQBU-WCQYABFASA-N 1 0 296.798 2.366 20 70 CEIDRO COc1cc2c(cc1C[NH2+]C(C)(C)[C@@H](C)O)O[C@@H](C)C2 ZINC000161145579 367062276 /nfs/dbraw/zinc/06/22/76/367062276.db2.gz LSLZQAVUXJLUDM-WDEREUQCSA-N 1 0 279.380 2.268 20 70 CEIDRO CC1(O)CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000161222083 367070543 /nfs/dbraw/zinc/07/05/43/367070543.db2.gz NQZBFDBVOOKJDF-GJZGRUSLSA-N 1 0 294.439 2.014 20 70 CEIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C[NH2+]C ZINC000161246892 367071752 /nfs/dbraw/zinc/07/17/52/367071752.db2.gz XBRAHDFBCWBSCT-OAHLLOKOSA-N 1 0 262.397 2.384 20 70 CEIDRO O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000161259744 367073034 /nfs/dbraw/zinc/07/30/34/367073034.db2.gz GHDIOZGHZNEFHX-CVEARBPZSA-N 1 0 272.392 2.124 20 70 CEIDRO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(=O)N1CCCC1 ZINC000161316834 367077005 /nfs/dbraw/zinc/07/70/05/367077005.db2.gz QXWUDGZGTFVYGY-JTQLQIEISA-N 1 0 268.307 2.065 20 70 CEIDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000161305782 367077255 /nfs/dbraw/zinc/07/72/55/367077255.db2.gz WKUGGOZVWKSHPL-CYZMBNFOSA-N 1 0 294.345 2.136 20 70 CEIDRO CC[NH2+]CCNCc1ccc(Br)c(C)c1 ZINC000161330014 367078006 /nfs/dbraw/zinc/07/80/06/367078006.db2.gz LIWCTLXBQQCWRQ-UHFFFAOYSA-N 1 0 271.202 2.457 20 70 CEIDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CCCCC1 ZINC000160668229 367025449 /nfs/dbraw/zinc/02/54/49/367025449.db2.gz FDBCKSVUIGBHHN-CYBMUJFWSA-N 1 0 253.390 2.055 20 70 CEIDRO CN(CC[NH3+])C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000160666445 367025826 /nfs/dbraw/zinc/02/58/26/367025826.db2.gz OZQAJQPILFCVJH-UHFFFAOYSA-N 1 0 277.246 2.008 20 70 CEIDRO COCCC[N@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000160683975 367026861 /nfs/dbraw/zinc/02/68/61/367026861.db2.gz QYRPDZPCCJHKPN-UHFFFAOYSA-N 1 0 284.444 2.287 20 70 CEIDRO CC1CCN(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000160680929 367026985 /nfs/dbraw/zinc/02/69/85/367026985.db2.gz YEKBJQQYYKKQLW-UONOGXRCSA-N 1 0 265.401 2.007 20 70 CEIDRO CC[C@@H](COC)[NH2+]CCc1cc(OC)ccc1OC ZINC000161437568 367086369 /nfs/dbraw/zinc/08/63/69/367086369.db2.gz JSMJEQHUEWJTDY-ZDUSSCGKSA-N 1 0 267.369 2.261 20 70 CEIDRO COC(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)OC ZINC000161459035 367088263 /nfs/dbraw/zinc/08/82/63/367088263.db2.gz SZQWQAVSUPGGIH-RYUDHWBXSA-N 1 0 285.409 2.255 20 70 CEIDRO CO[C@H]1CCN(Cc2ccc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000160974048 395062665 /nfs/dbraw/zinc/06/26/65/395062665.db2.gz IWKOTBNLCGXBDK-CVEARBPZSA-N 1 0 262.397 2.242 20 70 CEIDRO CC[C@@H](C(=O)N1CCOC2(C1)CCCCCC2)[NH+](C)C ZINC000161247329 395063412 /nfs/dbraw/zinc/06/34/12/395063412.db2.gz CAAGYBIUNUFNHK-AWEZNQCLSA-N 1 0 282.428 2.278 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000161059266 400284238 /nfs/dbraw/zinc/28/42/38/400284238.db2.gz BZNPGPHMFYMPKJ-XDTLVQLUSA-N 1 0 284.787 2.270 20 70 CEIDRO [NH3+]C1(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000217113398 400307229 /nfs/dbraw/zinc/30/72/29/400307229.db2.gz GRRNHQOYYPWETO-UHFFFAOYSA-N 1 0 262.397 2.200 20 70 CEIDRO CCC[N@H+](CC)CCNc1ncnc(CC)c1F ZINC000218054869 153296751 /nfs/dbraw/zinc/29/67/51/153296751.db2.gz TXWFAUPODVOITC-UHFFFAOYSA-N 1 0 254.353 2.322 20 70 CEIDRO CN(Cc1cnn(-c2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000159762304 162312111 /nfs/dbraw/zinc/31/21/11/162312111.db2.gz FJLOBZVQJOLPTK-MRXNPFEDSA-N 1 0 270.380 2.041 20 70 CEIDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCOCC)C1 ZINC000159881244 162315458 /nfs/dbraw/zinc/31/54/58/162315458.db2.gz LIBBCTNJEBMLEZ-LSDHHAIUSA-N 1 0 284.444 2.430 20 70 CEIDRO CN(C(=O)c1ccc(OC(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159824299 162315893 /nfs/dbraw/zinc/31/58/93/162315893.db2.gz ATUVMASTVUHMNO-LBPRGKRZSA-N 1 0 284.306 2.097 20 70 CEIDRO O=C(c1cc2c(s1)CCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159840682 162316123 /nfs/dbraw/zinc/31/61/23/162316123.db2.gz WDIJSSDJZREDMN-TXEJJXNPSA-N 1 0 276.405 2.203 20 70 CEIDRO CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159887475 162316611 /nfs/dbraw/zinc/31/66/11/162316611.db2.gz KTCDQOUXOZSULS-OKILXGFUSA-N 1 0 274.364 2.052 20 70 CEIDRO CC[C@H](C(=O)N1CCO[C@@H](c2ccccc2C)C1)[NH+](C)C ZINC000159936648 162318420 /nfs/dbraw/zinc/31/84/20/162318420.db2.gz IMVOYTAFIWHNEH-HZPDHXFCSA-N 1 0 290.407 2.235 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccccc1 ZINC000159949744 162318597 /nfs/dbraw/zinc/31/85/97/162318597.db2.gz LXBBBLVYOSXDEK-IOASZLSFSA-N 1 0 274.364 2.158 20 70 CEIDRO C[N@H+](CCCOc1ccc(F)cc1)[C@H](CN)C1CC1 ZINC000159978322 162318982 /nfs/dbraw/zinc/31/89/82/162318982.db2.gz HZAUJFUJHNQIOK-OAHLLOKOSA-N 1 0 266.360 2.264 20 70 CEIDRO COc1ccc([C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159969881 162319701 /nfs/dbraw/zinc/31/97/01/162319701.db2.gz LAXHPLPYIWROSJ-AEGPPILISA-N 1 0 288.391 2.152 20 70 CEIDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)c(OC)c1 ZINC000160102306 162322079 /nfs/dbraw/zinc/32/20/79/162322079.db2.gz UBCHXBZXHIQBNM-UHFFFAOYSA-N 1 0 279.380 2.346 20 70 CEIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160079415 162324293 /nfs/dbraw/zinc/32/42/93/162324293.db2.gz PLLMIVAEBVQARK-RISCZKNCSA-N 1 0 284.350 2.273 20 70 CEIDRO COc1ncc(Cl)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000160244633 162324585 /nfs/dbraw/zinc/32/45/85/162324585.db2.gz DCWPHCLXFDLCCL-NXEZZACHSA-N 1 0 282.775 2.177 20 70 CEIDRO CC[C@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)[NH+](C)C ZINC000160243586 162325517 /nfs/dbraw/zinc/32/55/17/162325517.db2.gz BJIFJPRLQKFAKG-MRXNPFEDSA-N 1 0 288.391 2.348 20 70 CEIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](CCO)CSC)c1 ZINC000160177289 162326257 /nfs/dbraw/zinc/32/62/57/162326257.db2.gz PVSUFDCBJJHHRZ-RYUDHWBXSA-N 1 0 299.436 2.468 20 70 CEIDRO CC(C)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160214780 162326362 /nfs/dbraw/zinc/32/63/62/162326362.db2.gz SBVSVTXCEMZYKD-CYBMUJFWSA-N 1 0 275.396 2.320 20 70 CEIDRO CC1(C)C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000161396603 273588514 /nfs/dbraw/zinc/58/85/14/273588514.db2.gz KCRHEDIGNDQNFH-OCCSQVGLSA-N 1 0 288.391 2.405 20 70 CEIDRO CC[C@]1(C)CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000160778450 276652160 /nfs/dbraw/zinc/65/21/60/276652160.db2.gz FGWFUHCFNWKHQL-DGCLKSJQSA-N 1 0 258.431 2.106 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000161290053 278088681 /nfs/dbraw/zinc/08/86/81/278088681.db2.gz KILKVWLARUKMHH-JCAIJIATSA-N 1 0 295.471 2.144 20 70 CEIDRO CCCN(C(=O)C[NH2+]C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000160614177 278744120 /nfs/dbraw/zinc/74/41/20/278744120.db2.gz SVPZNLXNAOHBTR-KBPBESRZSA-N 1 0 282.428 2.182 20 70 CEIDRO COC(C)(C)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000160061993 297432858 /nfs/dbraw/zinc/43/28/58/297432858.db2.gz UKOJWGHEMSQKFZ-UHFFFAOYSA-N 1 0 272.389 2.057 20 70 CEIDRO CC[C@H](C)OCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160411693 297436296 /nfs/dbraw/zinc/43/62/96/297436296.db2.gz DSAZBXAEQBDCNZ-DZKIICNBSA-N 1 0 284.444 2.428 20 70 CEIDRO COc1cc2c(cc1C[NH2+]C(C)(C)[C@H](C)O)O[C@H](C)C2 ZINC000161145674 297442047 /nfs/dbraw/zinc/44/20/47/297442047.db2.gz LSLZQAVUXJLUDM-MNOVXSKESA-N 1 0 279.380 2.268 20 70 CEIDRO CC[C@H](NC(=O)NCC[NH+](CC)CC)c1c(C)noc1C ZINC000161130106 297442068 /nfs/dbraw/zinc/44/20/68/297442068.db2.gz KKIKTWTWDRWKPJ-ZDUSSCGKSA-N 1 0 296.415 2.384 20 70 CEIDRO CS[C@H](C)CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000161380584 297444456 /nfs/dbraw/zinc/44/44/56/297444456.db2.gz GGKXNGCFUNEEMQ-QWHCGFSZSA-N 1 0 272.458 2.365 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCS[C@H]2CCCC[C@H]21 ZINC000161433116 303642288 /nfs/dbraw/zinc/64/22/88/303642288.db2.gz BZLPJWXBFMRXET-XQQFMLRXSA-N 1 0 268.426 2.015 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000159882677 312634797 /nfs/dbraw/zinc/63/47/97/312634797.db2.gz MBPRYJYGFYVXIL-WBMJQRKESA-N 1 0 260.381 2.424 20 70 CEIDRO CCCOC(=O)[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160481376 520214291 /nfs/dbraw/zinc/21/42/91/520214291.db2.gz JAGVRKHSRUZOHC-CQSZACIVSA-N 1 0 282.428 2.136 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000161151698 522079417 /nfs/dbraw/zinc/07/94/17/522079417.db2.gz HAJPOEUAWKTGHR-GFCCVEGCSA-N 1 0 286.297 2.174 20 70 CEIDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)[C@@H]1CCOC1 ZINC000161199486 522618610 /nfs/dbraw/zinc/61/86/10/522618610.db2.gz CFLXECIARSFLKR-ILXRZTDVSA-N 1 0 254.418 2.266 20 70 CEIDRO COC(=O)CN(CCC[NH+]1CCCCC1)C1CCCC1 ZINC000161413022 523159740 /nfs/dbraw/zinc/15/97/40/523159740.db2.gz MAGFNENTIOUXKI-UHFFFAOYSA-N 1 0 282.428 2.280 20 70 CEIDRO CN(Cc1cnc2ccccn12)C[C@H]1CCC[N@H+](C)C1 ZINC000160458626 523500277 /nfs/dbraw/zinc/50/02/77/523500277.db2.gz OBYJFIWSLFKANQ-AWEZNQCLSA-N 1 0 272.396 2.108 20 70 CEIDRO C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000161132248 524127342 /nfs/dbraw/zinc/12/73/42/524127342.db2.gz KAOUUFVSRIKANA-DZGCQCFKSA-N 1 0 264.413 2.367 20 70 CEIDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160838352 524628104 /nfs/dbraw/zinc/62/81/04/524628104.db2.gz LHSFWGWRIZJRMK-NSHDSACASA-N 1 0 286.778 2.289 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161198131 525542615 /nfs/dbraw/zinc/54/26/15/525542615.db2.gz DHSALUNHVPHQQM-CYBMUJFWSA-N 1 0 298.427 2.300 20 70 CEIDRO OCCOC1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000160434661 527555734 /nfs/dbraw/zinc/55/57/34/527555734.db2.gz IPXDRVRNFGVLAN-UHFFFAOYSA-N 1 0 297.370 2.068 20 70 CEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCC1(C(C)C)CC1 ZINC000159520228 528892603 /nfs/dbraw/zinc/89/26/03/528892603.db2.gz JISKXVAYXYNDGR-UHFFFAOYSA-N 1 0 269.433 2.404 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1C ZINC000159366173 344454613 /nfs/dbraw/zinc/45/46/13/344454613.db2.gz YQHLFQLKOZRZBJ-AWEZNQCLSA-N 1 0 281.396 2.139 20 70 CEIDRO Cc1cccc(CC[NH2+][C@@H](C(N)=O)c2ccccc2)c1 ZINC000159843994 344455927 /nfs/dbraw/zinc/45/59/27/344455927.db2.gz DEZGQCVOTVRYGE-MRXNPFEDSA-N 1 0 268.360 2.354 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000160241913 344457431 /nfs/dbraw/zinc/45/74/31/344457431.db2.gz HIPHJTMJISYJKO-NSHDSACASA-N 1 0 287.787 2.094 20 70 CEIDRO CCSCC[C@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160216907 344457733 /nfs/dbraw/zinc/45/77/33/344457733.db2.gz RAILPTOSGLNRSS-ONGXEEELSA-N 1 0 298.374 2.176 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000160242978 344457878 /nfs/dbraw/zinc/45/78/78/344457878.db2.gz CBGZYBZGJPWIFB-CQSZACIVSA-N 1 0 281.396 2.058 20 70 CEIDRO COc1cccc([C@@H]2CCCN2Cc2nncn2C)c1 ZINC000160737371 344461341 /nfs/dbraw/zinc/46/13/41/344461341.db2.gz IVPZEJSHWQZERH-AWEZNQCLSA-N 1 0 272.352 2.161 20 70 CEIDRO Cc1cscc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159498597 188428807 /nfs/dbraw/zinc/42/88/07/188428807.db2.gz WYOVMAVNLGKEQT-UHFFFAOYSA-N 1 0 252.383 2.448 20 70 CEIDRO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000160452732 188473372 /nfs/dbraw/zinc/47/33/72/188473372.db2.gz CXUANWLVYSPNOG-MNOVXSKESA-N 1 0 254.399 2.387 20 70 CEIDRO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCOC(C)(C)C3)cc12 ZINC000160479569 188475438 /nfs/dbraw/zinc/47/54/38/188475438.db2.gz SSQJWPGRZXEYIC-ZDUSSCGKSA-N 1 0 288.395 2.324 20 70 CEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160396222 188470206 /nfs/dbraw/zinc/47/02/06/188470206.db2.gz XDOMXBZKHLHOEB-LSDHHAIUSA-N 1 0 290.382 2.216 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCO1)c1cccc(F)c1 ZINC000161102325 188507749 /nfs/dbraw/zinc/50/77/49/188507749.db2.gz BGPDSTWHLMYZLN-HUUCEWRRSA-N 1 0 294.370 2.114 20 70 CEIDRO CN(C(=O)c1cccc2ncccc21)[C@H](C[NH3+])C1CC1 ZINC000159865798 540104326 /nfs/dbraw/zinc/10/43/26/540104326.db2.gz JZSYQBUHLBXPJB-OAHLLOKOSA-N 1 0 269.348 2.044 20 70 CEIDRO CCCn1nccc1CNC1CC[NH+](C(C)C)CC1 ZINC000159988750 540109586 /nfs/dbraw/zinc/10/95/86/540109586.db2.gz INUSLHMRYLMGOF-UHFFFAOYSA-N 1 0 264.417 2.256 20 70 CEIDRO CCCn1nccc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000160034200 540110235 /nfs/dbraw/zinc/11/02/35/540110235.db2.gz YLXAMUCXCSXUKU-LSDHHAIUSA-N 1 0 262.401 2.010 20 70 CEIDRO [NH3+]Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000160063638 540111041 /nfs/dbraw/zinc/11/10/41/540111041.db2.gz OFPUGUHXFHXLTF-BETUJISGSA-N 1 0 259.353 2.409 20 70 CEIDRO CCc1cccc(OC[C@@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160203260 540113388 /nfs/dbraw/zinc/11/33/88/540113388.db2.gz UZJWNGBNYRPNOF-HNNXBMFYSA-N 1 0 281.396 2.003 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000160731673 540121204 /nfs/dbraw/zinc/12/12/04/540121204.db2.gz IGAQYJGKIVWMQX-YUELXQCFSA-N 1 0 260.381 2.342 20 70 CEIDRO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000160803033 540123839 /nfs/dbraw/zinc/12/38/39/540123839.db2.gz RYJRRUHVEKOWAC-ZIAGYGMSSA-N 1 0 278.371 2.489 20 70 CEIDRO CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160846854 540125351 /nfs/dbraw/zinc/12/53/51/540125351.db2.gz JAHOTVKILTUESP-HUUCEWRRSA-N 1 0 290.407 2.402 20 70 CEIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000160909850 540127431 /nfs/dbraw/zinc/12/74/31/540127431.db2.gz PSJXRIULYCFYMJ-ZIAGYGMSSA-N 1 0 298.390 2.180 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC000161032244 540131150 /nfs/dbraw/zinc/13/11/50/540131150.db2.gz PISUNUITLSNWII-NEPJUHHUSA-N 1 0 276.355 2.243 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000161438052 540138262 /nfs/dbraw/zinc/13/82/62/540138262.db2.gz UMBVPQIWIUEYDP-AWEZNQCLSA-N 1 0 290.407 2.399 20 70 CEIDRO [NH3+]C1(CNC(=O)c2ccc(Cl)o2)CCCCC1 ZINC000159696985 283406388 /nfs/dbraw/zinc/40/63/88/283406388.db2.gz NLWAZUOADGNGKN-UHFFFAOYSA-N 1 0 256.733 2.324 20 70 CEIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000159401274 366908761 /nfs/dbraw/zinc/90/87/61/366908761.db2.gz FYKXYVSGTIMUFD-CYBMUJFWSA-N 1 0 297.418 2.121 20 70 CEIDRO COCCN(C)CC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000159394924 366909458 /nfs/dbraw/zinc/90/94/58/366909458.db2.gz XHOAUMFDFYRSQB-INIZCTEOSA-N 1 0 262.397 2.150 20 70 CEIDRO C[N@@H+](Cc1cnc(Cl)s1)C[C@H]1CCC[C@@H]1O ZINC000159555238 366925724 /nfs/dbraw/zinc/92/57/24/366925724.db2.gz BTHAEGCRSRTNIP-SCZZXKLOSA-N 1 0 260.790 2.389 20 70 CEIDRO CC[NH+]1CCC(NC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000159572570 366926459 /nfs/dbraw/zinc/92/64/59/366926459.db2.gz FQVZLRAYWBVIMC-LBPRGKRZSA-N 1 0 255.406 2.205 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159581487 366928153 /nfs/dbraw/zinc/92/81/53/366928153.db2.gz JSXQLKMEPVDSKT-DOMZBBRYSA-N 1 0 283.375 2.321 20 70 CEIDRO CN(C)[C@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159574177 366928623 /nfs/dbraw/zinc/92/86/23/366928623.db2.gz BVNDGRWZTREGDO-HNNXBMFYSA-N 1 0 289.423 2.067 20 70 CEIDRO CCc1cccc(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000159584310 366930111 /nfs/dbraw/zinc/93/01/11/366930111.db2.gz FIXVXJZSELNORV-INIZCTEOSA-N 1 0 274.408 2.248 20 70 CEIDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCOCC)C1 ZINC000159615611 366932522 /nfs/dbraw/zinc/93/25/22/366932522.db2.gz BGGKNLGOGFNUGH-HUUCEWRRSA-N 1 0 284.444 2.430 20 70 CEIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000159974629 366962385 /nfs/dbraw/zinc/96/23/85/366962385.db2.gz ZYGIELGLTUQUIM-ZCFIWIBFSA-N 1 0 280.221 2.053 20 70 CEIDRO COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000159991359 366963632 /nfs/dbraw/zinc/96/36/32/366963632.db2.gz PUMLLDGHCLZRSJ-STQMWFEESA-N 1 0 260.337 2.100 20 70 CEIDRO Cc1cc2occ(CC(=O)NCCC[NH3+])c2cc1C ZINC000160022587 366967020 /nfs/dbraw/zinc/96/70/20/366967020.db2.gz BMLUVZHZLWHRSZ-UHFFFAOYSA-N 1 0 260.337 2.057 20 70 CEIDRO C[C@@H](C(=O)NCC(C)(C)[NH3+])c1cc2ccccc2o1 ZINC000160028812 366967431 /nfs/dbraw/zinc/96/74/31/366967431.db2.gz XOGDTHJBCCOOAI-SNVBAGLBSA-N 1 0 260.337 2.390 20 70 CEIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cn1 ZINC000160045814 366969124 /nfs/dbraw/zinc/96/91/24/366969124.db2.gz NFKMHQGNESSVQA-OCCSQVGLSA-N 1 0 264.369 2.383 20 70 CEIDRO CC[C@@H](COC)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160100246 366973670 /nfs/dbraw/zinc/97/36/70/366973670.db2.gz LXHGJCJJYKRNFX-ZDUSSCGKSA-N 1 0 252.358 2.383 20 70 CEIDRO COCC[C@H](C)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160140446 366976361 /nfs/dbraw/zinc/97/63/61/366976361.db2.gz FXXDFWQINHOIHP-ZDUSSCGKSA-N 1 0 268.376 2.272 20 70 CEIDRO COc1cc2c(cc1C[NH2+][C@]1(C)CCOC1)O[C@@H](C)C2 ZINC000160183768 366979339 /nfs/dbraw/zinc/97/93/39/366979339.db2.gz MFRPQLWMGKJICS-MEDUHNTESA-N 1 0 277.364 2.287 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000160206213 366982523 /nfs/dbraw/zinc/98/25/23/366982523.db2.gz TUOLEHVZUAJVEU-SECBINFHSA-N 1 0 272.801 2.284 20 70 CEIDRO CC(C)COc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160214058 366984531 /nfs/dbraw/zinc/98/45/31/366984531.db2.gz VVNYWFXXOFGTCM-OAHLLOKOSA-N 1 0 290.407 2.214 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000160313403 366993364 /nfs/dbraw/zinc/99/33/64/366993364.db2.gz LLVSYEOOVWPPCT-ZDUSSCGKSA-N 1 0 294.782 2.253 20 70 CEIDRO COCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160606652 367022761 /nfs/dbraw/zinc/02/27/61/367022761.db2.gz CMQYWTCTIAWNAC-GFCCVEGCSA-N 1 0 267.369 2.133 20 70 CEIDRO CN(Cc1ccccn1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160628543 367022838 /nfs/dbraw/zinc/02/28/38/367022838.db2.gz OTBRZFVYHKITJG-UHFFFAOYSA-N 1 0 283.375 2.415 20 70 CEIDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000160498435 367011357 /nfs/dbraw/zinc/01/13/57/367011357.db2.gz DLWHQHQNMSKYLA-SNVBAGLBSA-N 1 0 284.787 2.163 20 70 CEIDRO CC[N@H+](Cc1ccc(C(=O)NC2(CO)CC2)cc1)C(C)C ZINC000160512019 367011849 /nfs/dbraw/zinc/01/18/49/367011849.db2.gz OCEGKFXJCVLNSZ-UHFFFAOYSA-N 1 0 290.407 2.172 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC000160520500 367012617 /nfs/dbraw/zinc/01/26/17/367012617.db2.gz VLCJTNYWBURTTP-JQWIXIFHSA-N 1 0 278.421 2.307 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3ccco3)nc2C)C1 ZINC000160532141 367013266 /nfs/dbraw/zinc/01/32/66/367013266.db2.gz HXFCCDSZZIMODR-GFCCVEGCSA-N 1 0 285.347 2.084 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537825 367015386 /nfs/dbraw/zinc/01/53/86/367015386.db2.gz DGPIVLZZZPPAMO-BXUZGUMPSA-N 1 0 288.399 2.030 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)NCc1oc2ccccc2c1C ZINC000160818791 367035614 /nfs/dbraw/zinc/03/56/14/367035614.db2.gz RNCWDYDFAWVACO-LBPRGKRZSA-N 1 0 292.404 2.438 20 70 CEIDRO Cc1ccnc(-c2ccc(NC(=O)CCC[NH3+])cc2)n1 ZINC000160879347 367039843 /nfs/dbraw/zinc/03/98/43/367039843.db2.gz CSPZJIJZPDEHKO-UHFFFAOYSA-N 1 0 270.336 2.129 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160890185 367040493 /nfs/dbraw/zinc/04/04/93/367040493.db2.gz NMDVLVMDBGRXNO-BZPMIXESSA-N 1 0 280.437 2.375 20 70 CEIDRO CS[C@H](C)CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000160891246 367040726 /nfs/dbraw/zinc/04/07/26/367040726.db2.gz RPHPOVLBCRJORL-CYBMUJFWSA-N 1 0 280.437 2.376 20 70 CEIDRO CS[C@@H](C)CC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000160891105 367040818 /nfs/dbraw/zinc/04/08/18/367040818.db2.gz RPHPOVLBCRJORL-ZDUSSCGKSA-N 1 0 280.437 2.376 20 70 CEIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160906272 367042969 /nfs/dbraw/zinc/04/29/69/367042969.db2.gz KZMLNOFWXZDZPU-FVQBIDKESA-N 1 0 272.392 2.391 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160907047 367042972 /nfs/dbraw/zinc/04/29/72/367042972.db2.gz MDCBFHJFJRMUED-VHDGCEQUSA-N 1 0 292.448 2.471 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@H](C)Cc2c(C)noc2C)CC1 ZINC000161029352 367050911 /nfs/dbraw/zinc/05/09/11/367050911.db2.gz ZECMNIMZRRROHD-SFNBMPIDSA-N 1 0 293.411 2.259 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)CC[NH2+]C(C)C)C12CCCC2 ZINC000161112289 367058303 /nfs/dbraw/zinc/05/83/03/367058303.db2.gz CTWBWXOOMNRQJQ-UONOGXRCSA-N 1 0 282.428 2.229 20 70 CEIDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CCOC1 ZINC000161141314 367061027 /nfs/dbraw/zinc/06/10/27/367061027.db2.gz NUKYGQIUGAOQPU-ZIAGYGMSSA-N 1 0 277.364 2.363 20 70 CEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161163154 367064371 /nfs/dbraw/zinc/06/43/71/367064371.db2.gz DRIXRKZBMOEDMO-MISXGVKJSA-N 1 0 282.359 2.083 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000161181592 367065082 /nfs/dbraw/zinc/06/50/82/367065082.db2.gz NDMKKBBRQGTZMF-SOUVJXGZSA-N 1 0 294.439 2.373 20 70 CEIDRO CCC[N@H+](CCO)Cc1cnc(N(CC)CC)s1 ZINC000161193316 367067512 /nfs/dbraw/zinc/06/75/12/367067512.db2.gz DFEXWLZBOHKSDA-UHFFFAOYSA-N 1 0 271.430 2.194 20 70 CEIDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1(CC)CC ZINC000161294269 367076153 /nfs/dbraw/zinc/07/61/53/367076153.db2.gz XBJIEXZJYRQABK-ZIAGYGMSSA-N 1 0 297.443 2.103 20 70 CEIDRO COc1ccc(C)cc1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161313840 367077351 /nfs/dbraw/zinc/07/73/51/367077351.db2.gz JEAQTADSDHZPCF-QGZVFWFLSA-N 1 0 290.407 2.052 20 70 CEIDRO CC[C@H](C)OCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000160676566 367027337 /nfs/dbraw/zinc/02/73/37/367027337.db2.gz XDUFCAVDNANVEA-AWEZNQCLSA-N 1 0 278.396 2.050 20 70 CEIDRO CC[C@H](C)OCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000160752579 367031629 /nfs/dbraw/zinc/03/16/29/367031629.db2.gz UKKHOUNDBWVIEC-MJBXVCDLSA-N 1 0 270.417 2.038 20 70 CEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000161426869 367085387 /nfs/dbraw/zinc/08/53/87/367085387.db2.gz ZXHPBUKUFSNYGI-NWDGAFQWSA-N 1 0 296.436 2.434 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1cccnc1 ZINC000217388074 370194785 /nfs/dbraw/zinc/19/47/85/370194785.db2.gz UEILTVGMZIEOPG-ZDUSSCGKSA-N 1 0 287.411 2.292 20 70 CEIDRO COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000217646794 370198239 /nfs/dbraw/zinc/19/82/39/370198239.db2.gz MNPPPINGIRWAMS-KBPBESRZSA-N 1 0 276.380 2.117 20 70 CEIDRO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000218052835 370203827 /nfs/dbraw/zinc/20/38/27/370203827.db2.gz AERKGEQYRCXWIY-WDEREUQCSA-N 1 0 267.325 2.238 20 70 CEIDRO Cc1ccccc1O[C@@H](C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000161170716 249319793 /nfs/dbraw/zinc/31/97/93/249319793.db2.gz KGHFAQNNCQHCCX-AWEZNQCLSA-N 1 0 290.407 2.398 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000160679884 532967256 /nfs/dbraw/zinc/96/72/56/532967256.db2.gz OJIRJMWWGSCAFV-GXTWGEPZSA-N 1 0 252.402 2.413 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000160913730 395062152 /nfs/dbraw/zinc/06/21/52/395062152.db2.gz DVTZRBICQXVFAH-ZDUSSCGKSA-N 1 0 262.397 2.467 20 70 CEIDRO CC(C)Cc1ncc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159709013 162312730 /nfs/dbraw/zinc/31/27/30/162312730.db2.gz ZNZWVCTXLFOTAR-NWDGAFQWSA-N 1 0 295.452 2.427 20 70 CEIDRO CN(Cc1ccc(OC(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159741453 162312782 /nfs/dbraw/zinc/31/27/82/162312782.db2.gz DVDXCQDNZIUHJD-CYBMUJFWSA-N 1 0 270.323 2.457 20 70 CEIDRO COc1c(C)cc(C[NH+]2CCC(CC(N)=O)CC2)cc1C ZINC000159758927 162313072 /nfs/dbraw/zinc/31/30/72/162313072.db2.gz HYRDWSQTRAWGLF-UHFFFAOYSA-N 1 0 290.407 2.399 20 70 CEIDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1-n1cccn1 ZINC000159787403 162313908 /nfs/dbraw/zinc/31/39/08/162313908.db2.gz PPNYIJAZMGTNEJ-XJKSGUPXSA-N 1 0 298.390 2.144 20 70 CEIDRO O=C(CCc1ccc(F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159791869 162315008 /nfs/dbraw/zinc/31/50/08/162315008.db2.gz GQGXCLWMBJRBRO-GASCZTMLSA-N 1 0 276.355 2.111 20 70 CEIDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCCOCC)C1 ZINC000159886728 162315231 /nfs/dbraw/zinc/31/52/31/162315231.db2.gz XPADQNCQHINBSH-CQSZACIVSA-N 1 0 270.417 2.041 20 70 CEIDRO [NH3+]CCCC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159813776 162316196 /nfs/dbraw/zinc/31/61/96/162316196.db2.gz BPMROIQFKNEQBO-GFCCVEGCSA-N 1 0 266.772 2.395 20 70 CEIDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1cnn(C)c1 ZINC000160079803 162321912 /nfs/dbraw/zinc/32/19/12/162321912.db2.gz ZUBYCQWZMCCGNS-SNVBAGLBSA-N 1 0 281.306 2.428 20 70 CEIDRO Cc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)nc1 ZINC000160101073 162322640 /nfs/dbraw/zinc/32/26/40/162322640.db2.gz FGTMDCKCBLCDMU-RYUDHWBXSA-N 1 0 274.286 2.278 20 70 CEIDRO COc1cc(C[NH2+]CC2(CO)CCCC2)cc(OC)c1O ZINC000160110469 162322674 /nfs/dbraw/zinc/32/26/74/162322674.db2.gz HWMSIDDLZDJUIG-UHFFFAOYSA-N 1 0 295.379 2.052 20 70 CEIDRO C[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000161132118 287371120 /nfs/dbraw/zinc/37/11/20/287371120.db2.gz KAOUUFVSRIKANA-UKRRQHHQSA-N 1 0 264.413 2.367 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCc2c1cnn2C ZINC000160148122 270238368 /nfs/dbraw/zinc/23/83/68/270238368.db2.gz IZRBQIGXLIXCKQ-GXTWGEPZSA-N 1 0 264.417 2.117 20 70 CEIDRO CC(C)C[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000161475726 277449010 /nfs/dbraw/zinc/44/90/10/277449010.db2.gz VIHCFDJAAYPDFC-UONOGXRCSA-N 1 0 252.402 2.413 20 70 CEIDRO CC(C)(C)C1CCC(C[N@@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC000159900646 278300691 /nfs/dbraw/zinc/30/06/91/278300691.db2.gz FJORLWJKHZVMNC-JXQTWKCFSA-N 1 0 282.428 2.025 20 70 CEIDRO CN(C(=O)C1C2CC3CC(C2)CC1C3)[C@H](C[NH3+])C1CC1 ZINC000159877684 288791543 /nfs/dbraw/zinc/79/15/43/288791543.db2.gz FPXIRKYEQLXALL-OYCZRQFBSA-N 1 0 276.424 2.254 20 70 CEIDRO C[C@H](C1CC1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160867120 289399641 /nfs/dbraw/zinc/39/96/41/289399641.db2.gz LKMDPQVYVVHBBT-OCCSQVGLSA-N 1 0 279.428 2.443 20 70 CEIDRO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000161025169 295341089 /nfs/dbraw/zinc/34/10/89/295341089.db2.gz VCZMFMYILWJWGF-RFQIPJPRSA-N 1 0 250.386 2.199 20 70 CEIDRO O=C1CCCN1CCC[NH2+][C@H]1CCc2ccccc21 ZINC000159492771 297429117 /nfs/dbraw/zinc/42/91/17/297429117.db2.gz KUZNQOXACYXHMA-HNNXBMFYSA-N 1 0 258.365 2.276 20 70 CEIDRO CC(C)(O)CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000159695597 297429946 /nfs/dbraw/zinc/42/99/46/297429946.db2.gz ODQHRTKAJBEIAM-GFCCVEGCSA-N 1 0 286.416 2.040 20 70 CEIDRO COc1cc(C2(C(=O)NCCC[NH+](C)C)CC2)ccc1C ZINC000160345020 297435252 /nfs/dbraw/zinc/43/52/52/297435252.db2.gz JZRLXRJHSCDRMK-UHFFFAOYSA-N 1 0 290.407 2.103 20 70 CEIDRO CN(C(=O)/C=C/c1ccc(F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159893989 312634800 /nfs/dbraw/zinc/63/48/00/312634800.db2.gz CMMHCFJATOGCLV-CEOUIICOSA-N 1 0 262.328 2.035 20 70 CEIDRO Cc1cccc(C)c1CCNC(=O)CC[NH2+]C(C)C ZINC000160208354 312637738 /nfs/dbraw/zinc/63/77/38/312637738.db2.gz HCKAXNPKJQTQSK-UHFFFAOYSA-N 1 0 262.397 2.350 20 70 CEIDRO CC(C)C(=O)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161324453 519464232 /nfs/dbraw/zinc/46/42/32/519464232.db2.gz ZJMBWIJVOTUBTJ-UHFFFAOYSA-N 1 0 295.471 2.053 20 70 CEIDRO CC[C@H](COC)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160713245 522258461 /nfs/dbraw/zinc/25/84/61/522258461.db2.gz ZCSRORVYGWSITJ-NWDGAFQWSA-N 1 0 262.353 2.127 20 70 CEIDRO COC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)C(C)C ZINC000160683629 522742173 /nfs/dbraw/zinc/74/21/73/522742173.db2.gz OPGQYXHFVQVWBR-WFASDCNBSA-N 1 0 276.380 2.373 20 70 CEIDRO COCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000160914356 522795401 /nfs/dbraw/zinc/79/54/01/522795401.db2.gz OWKMGXNYOCNQMJ-ZFWWWQNUSA-N 1 0 294.439 2.134 20 70 CEIDRO CC[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011650 522924475 /nfs/dbraw/zinc/92/44/75/522924475.db2.gz DRAXVEGLKLNXQP-QLFBSQMISA-N 1 0 264.417 2.334 20 70 CEIDRO COC(=O)CC[N@H+](Cc1cnc2ccccn12)C(C)C ZINC000160398345 523069611 /nfs/dbraw/zinc/06/96/11/523069611.db2.gz MAPUDSRADDMSCP-UHFFFAOYSA-N 1 0 275.352 2.108 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NCC1(CC(C)C)CCC1 ZINC000160678596 525541602 /nfs/dbraw/zinc/54/16/02/525541602.db2.gz TXZOSJSBVJHOCB-GFCCVEGCSA-N 1 0 272.458 2.399 20 70 CEIDRO c1sc(C2CC2)nc1CN1CC[NH+](C2CC2)CC1 ZINC000161496609 526630462 /nfs/dbraw/zinc/63/04/62/526630462.db2.gz KURXEXIPXMSXDP-UHFFFAOYSA-N 1 0 263.410 2.301 20 70 CEIDRO O=C(/C=C/c1cccs1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160564240 527641499 /nfs/dbraw/zinc/64/14/99/527641499.db2.gz FYVVFDOQDARPHH-PKRZQGHMSA-N 1 0 262.378 2.114 20 70 CEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)C1(C)C ZINC000160500444 527895729 /nfs/dbraw/zinc/89/57/29/527895729.db2.gz BNLHFSUAJUASCP-QWHCGFSZSA-N 1 0 282.428 2.168 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000160304769 282118189 /nfs/dbraw/zinc/11/81/89/282118189.db2.gz KGWZIARZSHVIFB-DZGCQCFKSA-N 1 0 286.354 2.318 20 70 CEIDRO O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000159689828 232247532 /nfs/dbraw/zinc/24/75/32/232247532.db2.gz BROHBLQHQMSIOD-KOLCDFICSA-N 1 0 290.260 2.155 20 70 CEIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000159972576 232249392 /nfs/dbraw/zinc/24/93/92/232249392.db2.gz CKTFFTWJMMCISJ-RWMBFGLXSA-N 1 0 276.355 2.282 20 70 CEIDRO Cc1ccc(CSCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160372657 232250558 /nfs/dbraw/zinc/25/05/58/232250558.db2.gz DWMSUHSNNUXRBK-AWEZNQCLSA-N 1 0 278.421 2.178 20 70 CEIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCO2 ZINC000159477002 188427857 /nfs/dbraw/zinc/42/78/57/188427857.db2.gz PNFLDHLYSLPVPD-GFCCVEGCSA-N 1 0 290.363 2.078 20 70 CEIDRO CCC1(CC)[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)C[C@@H]1OC ZINC000160112337 188456114 /nfs/dbraw/zinc/45/61/14/188456114.db2.gz NGBSMTBMICOVEA-KKUMJFAQSA-N 1 0 290.407 2.396 20 70 CEIDRO Cc1ccnc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000160878657 188496290 /nfs/dbraw/zinc/49/62/90/188496290.db2.gz BNLPBGHGFLAGNF-AWEZNQCLSA-N 1 0 296.374 2.390 20 70 CEIDRO O=C(NCCCCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000160900692 188496965 /nfs/dbraw/zinc/49/69/65/188496965.db2.gz XEIHSZXQVPXRAU-CQSZACIVSA-N 1 0 252.402 2.463 20 70 CEIDRO C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161135772 188510161 /nfs/dbraw/zinc/51/01/61/188510161.db2.gz VHCOBVOXGJDIDK-FZMZJTMJSA-N 1 0 296.798 2.366 20 70 CEIDRO [NH3+]Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)o1 ZINC000159380490 540081771 /nfs/dbraw/zinc/08/17/71/540081771.db2.gz KDVYANKNSDEIRI-JOYOIKCWSA-N 1 0 292.285 2.302 20 70 CEIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)s1 ZINC000160072508 540111146 /nfs/dbraw/zinc/11/11/46/540111146.db2.gz ZKAXCUCNEVSZAV-TXEJJXNPSA-N 1 0 264.394 2.331 20 70 CEIDRO CCCn1nccc1C[NH2+]CCOc1ccccc1 ZINC000160121814 540111865 /nfs/dbraw/zinc/11/18/65/540111865.db2.gz WZQALBKEOVPBTH-UHFFFAOYSA-N 1 0 259.353 2.462 20 70 CEIDRO Cc1ccccc1-c1noc(CN(C)[C@@H](C[NH3+])C2CC2)n1 ZINC000160162526 540112788 /nfs/dbraw/zinc/11/27/88/540112788.db2.gz DUMHXCYIWLMBTD-AWEZNQCLSA-N 1 0 286.379 2.214 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2cccc(Cl)c2)C1 ZINC000160866375 540125680 /nfs/dbraw/zinc/12/56/80/540125680.db2.gz RYHFFDYWYJJUSN-QWHCGFSZSA-N 1 0 296.798 2.495 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2cccs2)C1 ZINC000160950761 540128324 /nfs/dbraw/zinc/12/83/24/540128324.db2.gz YBROCHAPRKMQDM-VXGBXAGGSA-N 1 0 266.410 2.457 20 70 CEIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(F)cc1F ZINC000161041702 540131846 /nfs/dbraw/zinc/13/18/46/540131846.db2.gz DGUCUOKWELYSPO-VHSXEESVSA-N 1 0 268.307 2.273 20 70 CEIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000161318372 540136814 /nfs/dbraw/zinc/13/68/14/540136814.db2.gz ZHTOAJYXWRXORL-MNOVXSKESA-N 1 0 250.317 2.134 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCCC2 ZINC000161177685 540177554 /nfs/dbraw/zinc/17/75/54/540177554.db2.gz MYFIJPIEYJKDOG-CBBWQLFWSA-N 1 0 294.439 2.358 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC000217001078 540198161 /nfs/dbraw/zinc/19/81/61/540198161.db2.gz URUIARDZGGLZEY-UHFFFAOYSA-N 1 0 264.413 2.302 20 70 CEIDRO CCn1nccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000159965240 540441577 /nfs/dbraw/zinc/44/15/77/540441577.db2.gz XJHVFEFPZLTFGJ-UHFFFAOYSA-N 1 0 285.395 2.188 20 70 CEIDRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(N(C)C)nc2)c1 ZINC000160070632 540444698 /nfs/dbraw/zinc/44/46/98/540444698.db2.gz HKHHOXSEVQMNLR-UHFFFAOYSA-N 1 0 298.390 2.396 20 70 CEIDRO Cn1cc(CCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cn1 ZINC000161331242 540780058 /nfs/dbraw/zinc/78/00/58/540780058.db2.gz FKUKOJODYUIUJN-GOSISDBHSA-N 1 0 298.434 2.341 20 70 CEIDRO [NH3+]C1(CNC(=O)Cc2cccc(F)c2F)CCCCC1 ZINC000159685752 366939062 /nfs/dbraw/zinc/93/90/62/366939062.db2.gz LRGVUNTZYZGLMY-UHFFFAOYSA-N 1 0 282.334 2.285 20 70 CEIDRO C[C@@H]([NH2+]CCO)[C@@H](C)c1nc2ccccc2s1 ZINC000159697114 366939975 /nfs/dbraw/zinc/93/99/75/366939975.db2.gz QGJKWQPZWKKUAB-NXEZZACHSA-N 1 0 250.367 2.370 20 70 CEIDRO CC[C@H](C)OCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159716096 366941875 /nfs/dbraw/zinc/94/18/75/366941875.db2.gz IDOVZPQEANKHND-LBPRGKRZSA-N 1 0 270.417 2.181 20 70 CEIDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCCn1cccc1 ZINC000159401495 366909512 /nfs/dbraw/zinc/90/95/12/366909512.db2.gz BPMMZEHVELCCRW-HNNXBMFYSA-N 1 0 277.412 2.211 20 70 CEIDRO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[NH2+]CC3)c2c1 ZINC000159434791 366912905 /nfs/dbraw/zinc/91/29/05/366912905.db2.gz CVNGICVJRCZQOU-UHFFFAOYSA-N 1 0 295.386 2.466 20 70 CEIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159438510 366912944 /nfs/dbraw/zinc/91/29/44/366912944.db2.gz NHIJTKXWQFGDJI-SKDRFNHKSA-N 1 0 266.389 2.310 20 70 CEIDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000159437690 366913371 /nfs/dbraw/zinc/91/33/71/366913371.db2.gz VBXAZFBZIRHHNO-GFCCVEGCSA-N 1 0 271.364 2.238 20 70 CEIDRO COc1ccccc1OCC[N@H+](C)CCOCC1CC1 ZINC000159441105 366913464 /nfs/dbraw/zinc/91/34/64/366913464.db2.gz XGDLLGIJBKUDSQ-UHFFFAOYSA-N 1 0 279.380 2.432 20 70 CEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159768267 366946088 /nfs/dbraw/zinc/94/60/88/366946088.db2.gz NGVXXWQDBNWYOR-CYBMUJFWSA-N 1 0 279.428 2.208 20 70 CEIDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1 ZINC000159759202 366946152 /nfs/dbraw/zinc/94/61/52/366946152.db2.gz PFNFQMSHLGTNBN-CQSZACIVSA-N 1 0 295.390 2.499 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000159627867 366934367 /nfs/dbraw/zinc/93/43/67/366934367.db2.gz AOPWPBHGWYZTHC-SDEBIZQBSA-N 1 0 276.355 2.425 20 70 CEIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159672596 366938630 /nfs/dbraw/zinc/93/86/30/366938630.db2.gz CUQUKVUGQFENBL-VNHYZAJKSA-N 1 0 282.428 2.086 20 70 CEIDRO CC[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159816312 366950751 /nfs/dbraw/zinc/95/07/51/366950751.db2.gz UESAKTRRUHKKNR-GJZGRUSLSA-N 1 0 260.381 2.376 20 70 CEIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1C(C)C ZINC000159983411 366964270 /nfs/dbraw/zinc/96/42/70/366964270.db2.gz BAPMYNMXOGMWIO-UHFFFAOYSA-N 1 0 251.374 2.153 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160081416 366972010 /nfs/dbraw/zinc/97/20/10/366972010.db2.gz VUGMLXSFJORBMQ-WFASDCNBSA-N 1 0 298.452 2.192 20 70 CEIDRO CO[C@]1(C[NH2+]Cc2nc(C(C)(C)C)cs2)CCOC1 ZINC000160340949 366996658 /nfs/dbraw/zinc/99/66/58/366996658.db2.gz VQJROWONQZFCQX-AWEZNQCLSA-N 1 0 284.425 2.336 20 70 CEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160305718 366993432 /nfs/dbraw/zinc/99/34/32/366993432.db2.gz WIBKFQVYTFLSOV-DZGCQCFKSA-N 1 0 299.484 2.446 20 70 CEIDRO COCC[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160581575 367019563 /nfs/dbraw/zinc/01/95/63/367019563.db2.gz JFHDZEBANUJSMK-SECBINFHSA-N 1 0 273.174 2.359 20 70 CEIDRO CCCC[NH+]1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000160382728 367001052 /nfs/dbraw/zinc/00/10/52/367001052.db2.gz KKJOUAOWRFXEMP-UHFFFAOYSA-N 1 0 267.417 2.493 20 70 CEIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccnc(C2CC2)n1 ZINC000160424837 367004832 /nfs/dbraw/zinc/00/48/32/367004832.db2.gz KNPQJMLFJAIIQG-AAEUAGOBSA-N 1 0 260.385 2.130 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(COC)cc1 ZINC000160526292 367014141 /nfs/dbraw/zinc/01/41/41/367014141.db2.gz BSUVWFBLMGTMAS-UHFFFAOYSA-N 1 0 264.369 2.080 20 70 CEIDRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H](C)[NH3+])cc1 ZINC000160879769 367039287 /nfs/dbraw/zinc/03/92/87/367039287.db2.gz KJQMKVWVQRJUJX-CYBMUJFWSA-N 1 0 292.423 2.460 20 70 CEIDRO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160906161 367042954 /nfs/dbraw/zinc/04/29/54/367042954.db2.gz KZMLNOFWXZDZPU-IMJJTQAJSA-N 1 0 272.392 2.391 20 70 CEIDRO OCC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000161019060 367049524 /nfs/dbraw/zinc/04/95/24/367049524.db2.gz UKORYFKZPAKMHN-OAHLLOKOSA-N 1 0 298.377 2.429 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000161075944 367053610 /nfs/dbraw/zinc/05/36/10/367053610.db2.gz SYVDJQOMPSMKHL-ZFWWWQNUSA-N 1 0 252.402 2.271 20 70 CEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000161083805 367054615 /nfs/dbraw/zinc/05/46/15/367054615.db2.gz RIWOHEAJLYLKHD-AWEZNQCLSA-N 1 0 275.396 2.419 20 70 CEIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000161089215 367056828 /nfs/dbraw/zinc/05/68/28/367056828.db2.gz KWVLVJISVDVVCD-CJNGLKHVSA-N 1 0 284.444 2.022 20 70 CEIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161170274 367064272 /nfs/dbraw/zinc/06/42/72/367064272.db2.gz XIQRHKFWYBXXMI-UKRRQHHQSA-N 1 0 260.381 2.214 20 70 CEIDRO CCC[N@H+](CCO)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000161215872 367068718 /nfs/dbraw/zinc/06/87/18/367068718.db2.gz VZWYDHSRYNHWSC-LLVKDONJSA-N 1 0 268.426 2.472 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161221282 367068872 /nfs/dbraw/zinc/06/88/72/367068872.db2.gz HSVREIXWBVMYEV-DZGCQCFKSA-N 1 0 280.412 2.079 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCc1cn2c(cccc2C)n1 ZINC000161292263 367075964 /nfs/dbraw/zinc/07/59/64/367075964.db2.gz VUEYPVDXRQXYHJ-UHFFFAOYSA-N 1 0 288.395 2.024 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000160688349 367028910 /nfs/dbraw/zinc/02/89/10/367028910.db2.gz VWFBWKFYUVKXEG-KTRBRXNASA-N 1 0 270.332 2.266 20 70 CEIDRO COCC[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160767070 367032758 /nfs/dbraw/zinc/03/27/58/367032758.db2.gz KVFJGARKQWBIGI-GDBMZVCRSA-N 1 0 290.407 2.365 20 70 CEIDRO Cc1nn(C)cc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160762913 367032835 /nfs/dbraw/zinc/03/28/35/367032835.db2.gz RUOZLHCKRREBCN-UHFFFAOYSA-N 1 0 284.407 2.487 20 70 CEIDRO CC[C@H](COC)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160772081 367032999 /nfs/dbraw/zinc/03/29/99/367032999.db2.gz LMBDTBMCXIIYPI-HZPDHXFCSA-N 1 0 290.407 2.365 20 70 CEIDRO CCc1nc(CC[NH2+]C2CCC(NC(C)=O)CC2)cs1 ZINC000161402945 367084099 /nfs/dbraw/zinc/08/40/99/367084099.db2.gz XZACUGVAMVIVRF-UHFFFAOYSA-N 1 0 295.452 2.285 20 70 CEIDRO COC[C@H]([NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000161476229 367088910 /nfs/dbraw/zinc/08/89/10/367088910.db2.gz JQEHSLVZIIYIAA-INIZCTEOSA-N 1 0 290.407 2.038 20 70 CEIDRO Cc1cc(Br)c(CN2CC[NH2+]CC2)s1 ZINC000218662688 370211069 /nfs/dbraw/zinc/21/10/69/370211069.db2.gz DAWBZDIHZKDSGI-UHFFFAOYSA-N 1 0 275.215 2.224 20 70 CEIDRO CC[NH+](CC)CCNC(=O)Nc1cccc(NC(C)=O)c1 ZINC000217300614 370194087 /nfs/dbraw/zinc/19/40/87/370194087.db2.gz CCAIBGNHWOBZIW-UHFFFAOYSA-N 1 0 292.383 2.108 20 70 CEIDRO CCc1ncnc(NC[C@@H]2CCC[N@H+]2CC)c1F ZINC000217955579 370202438 /nfs/dbraw/zinc/20/24/38/370202438.db2.gz NRBCHAGFHAJGAF-JTQLQIEISA-N 1 0 252.337 2.074 20 70 CEIDRO CC(C)[N@H+](C)CCCNCc1nn(C)c2ccccc12 ZINC000218092744 370205326 /nfs/dbraw/zinc/20/53/26/370205326.db2.gz MUQLXHRKSHDOJL-UHFFFAOYSA-N 1 0 274.412 2.393 20 70 CEIDRO CC(C)[N@H+](C)CCCNCc1cn2ccccc2n1 ZINC000218211267 370207252 /nfs/dbraw/zinc/20/72/52/370207252.db2.gz GGRJMXYXLHVUHN-UHFFFAOYSA-N 1 0 260.385 2.154 20 70 CEIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)CCO)c1ccccc1 ZINC000161087683 284754341 /nfs/dbraw/zinc/75/43/41/284754341.db2.gz VWQOYYPXTQSYSS-GOEBONIOSA-N 1 0 292.423 2.204 20 70 CEIDRO CC(C)([NH3+])CNC(=O)Cc1ccccc1C(F)(F)F ZINC000160012751 395060416 /nfs/dbraw/zinc/06/04/16/395060416.db2.gz XXYSOVXLNAYHPI-UHFFFAOYSA-N 1 0 274.286 2.101 20 70 CEIDRO CC[C@@](C)(O)CN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000161019531 395062673 /nfs/dbraw/zinc/06/26/73/395062673.db2.gz YJZJJZTZDBIOAH-JKSUJKDBSA-N 1 0 268.445 2.488 20 70 CEIDRO COc1cccc(F)c1[C@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000161054086 400284084 /nfs/dbraw/zinc/28/40/84/400284084.db2.gz ROFQOPSSNYTJFL-WDEREUQCSA-N 1 0 280.343 2.154 20 70 CEIDRO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161053966 400284216 /nfs/dbraw/zinc/28/42/16/400284216.db2.gz ROFQOPSSNYTJFL-MNOVXSKESA-N 1 0 280.343 2.154 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000217852857 153298715 /nfs/dbraw/zinc/29/87/15/153298715.db2.gz FHQZABCQNKDQPX-HNNXBMFYSA-N 1 0 292.404 2.144 20 70 CEIDRO CN(C(=O)c1cccc(OC(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000159837456 162315985 /nfs/dbraw/zinc/31/59/85/162315985.db2.gz OUWFPZTVBKHMOI-GFCCVEGCSA-N 1 0 284.306 2.097 20 70 CEIDRO CC[C@@H](COC)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000159935209 162320306 /nfs/dbraw/zinc/32/03/06/162320306.db2.gz GOQSLMSODOPXHK-ZFWWWQNUSA-N 1 0 262.397 2.452 20 70 CEIDRO O=C(c1cc(Cl)ccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160080191 162322680 /nfs/dbraw/zinc/32/26/80/162322680.db2.gz CDBCTFGHLLFWOG-PHIMTYICSA-N 1 0 282.746 2.446 20 70 CEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CCOCC2)n1 ZINC000160137189 162323265 /nfs/dbraw/zinc/32/32/65/162323265.db2.gz CBAOJJZCAMVZOA-KRWDZBQOSA-N 1 0 289.423 2.249 20 70 CEIDRO CCOc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1C ZINC000160233366 162324675 /nfs/dbraw/zinc/32/46/75/162324675.db2.gz IJXIZTRZLKOTOA-GASCZTMLSA-N 1 0 288.391 2.360 20 70 CEIDRO CC(C)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160296050 165033559 /nfs/dbraw/zinc/03/35/59/165033559.db2.gz PQEHGXCNBRPZJI-HEHGZKQESA-N 1 0 282.428 2.071 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1C ZINC000161302678 277278286 /nfs/dbraw/zinc/27/82/86/277278286.db2.gz NUNWBHUMHLAHPS-HNNXBMFYSA-N 1 0 298.390 2.005 20 70 CEIDRO CO[C@H]1CCN(Cc2cc(C)ccc2C)[C@@H](C[NH3+])C1 ZINC000160994759 277340647 /nfs/dbraw/zinc/34/06/47/277340647.db2.gz JTKNPJUEPISVMP-CVEARBPZSA-N 1 0 262.397 2.242 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccccc1-n1cccn1 ZINC000160822094 278361770 /nfs/dbraw/zinc/36/17/70/278361770.db2.gz GXIIWIXVJSQKBG-OLZOCXBDSA-N 1 0 298.390 2.190 20 70 CEIDRO C[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C[NH3+])cc2C1 ZINC000160167859 278626447 /nfs/dbraw/zinc/62/64/47/278626447.db2.gz VWEYHTQTINNOPZ-PWSUYJOCSA-N 1 0 278.421 2.436 20 70 CEIDRO CC[C@@H](COC)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160771714 280153411 /nfs/dbraw/zinc/15/34/11/280153411.db2.gz LMBDTBMCXIIYPI-HOTGVXAUSA-N 1 0 290.407 2.365 20 70 CEIDRO CCN(CC[NH2+][C@H](C)c1cnccn1)C(=O)OC(C)(C)C ZINC000159459540 297428860 /nfs/dbraw/zinc/42/88/60/297428860.db2.gz MNADWUNYLCCJPX-GFCCVEGCSA-N 1 0 294.399 2.384 20 70 CEIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CCOCC1 ZINC000161154797 297442034 /nfs/dbraw/zinc/44/20/34/297442034.db2.gz VOUBOPUQKVXFJR-GFCCVEGCSA-N 1 0 277.364 2.363 20 70 CEIDRO C[C@@H](CNC(=O)NC1(C)CCC1)C[NH+]1CCCCC1 ZINC000159759433 312633545 /nfs/dbraw/zinc/63/35/45/312633545.db2.gz TWPGZVUPVJYEMA-ZDUSSCGKSA-N 1 0 267.417 2.350 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000159882791 312634858 /nfs/dbraw/zinc/63/48/58/312634858.db2.gz MBPRYJYGFYVXIL-LRDDRELGSA-N 1 0 260.381 2.424 20 70 CEIDRO C[C@H]([NH2+]CCOCCOc1ccccc1)[C@@H]1CCOC1 ZINC000160733636 312640485 /nfs/dbraw/zinc/64/04/85/312640485.db2.gz ZIVBMGLOLOWTBX-LSDHHAIUSA-N 1 0 279.380 2.097 20 70 CEIDRO CC[C@H](C(=O)Nc1nc(C2CC2)cs1)[NH+](C)C ZINC000160895465 312642506 /nfs/dbraw/zinc/64/25/06/312642506.db2.gz NIPZPCNLPZZUTK-SNVBAGLBSA-N 1 0 253.371 2.299 20 70 CEIDRO CC(C)[C@@H](CC1CCCC1)C(=O)N1CC[NH2+]CC1 ZINC000159376936 519792780 /nfs/dbraw/zinc/79/27/80/519792780.db2.gz SIXZXRZZGOGEKH-CQSZACIVSA-N 1 0 252.402 2.271 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000160574510 519903350 /nfs/dbraw/zinc/90/33/50/519903350.db2.gz MHSPHGXAVPXSAR-CZUORRHYSA-N 1 0 290.407 2.341 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 ZINC000161086307 519914643 /nfs/dbraw/zinc/91/46/43/519914643.db2.gz GURHAIUEHIKBJQ-HZPDHXFCSA-N 1 0 287.407 2.033 20 70 CEIDRO [NH3+]C1(CNC(=O)c2csc(C3CC3)n2)CCCCC1 ZINC000159496123 534548154 /nfs/dbraw/zinc/54/81/54/534548154.db2.gz HSKXBFVHJXQICS-UHFFFAOYSA-N 1 0 279.409 2.412 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)c2ccccc2n1 ZINC000161185118 522086753 /nfs/dbraw/zinc/08/67/53/522086753.db2.gz PPDULBPEXGMDBS-CYBMUJFWSA-N 1 0 283.375 2.367 20 70 CEIDRO CCc1ccc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000161150973 523906873 /nfs/dbraw/zinc/90/68/73/523906873.db2.gz SMYHFGKKYCLWBX-MRXNPFEDSA-N 1 0 274.408 2.248 20 70 CEIDRO CO[C@H]1CCN(CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000160982615 523995322 /nfs/dbraw/zinc/99/53/22/523995322.db2.gz WYLLAFHTRZMGHE-HOTGVXAUSA-N 1 0 262.397 2.057 20 70 CEIDRO CC(C)(C[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160833055 527069267 /nfs/dbraw/zinc/06/92/67/527069267.db2.gz DVMGLQCYHKSDOO-NSHDSACASA-N 1 0 288.313 2.261 20 70 CEIDRO [NH3+]CCCNC(=O)c1cccc(Br)c1Cl ZINC000160386367 527179752 /nfs/dbraw/zinc/17/97/52/527179752.db2.gz NJUOIBUYDYXXNU-UHFFFAOYSA-N 1 0 291.576 2.181 20 70 CEIDRO CCOCCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CCC1 ZINC000160699111 528604795 /nfs/dbraw/zinc/60/47/95/528604795.db2.gz FBJJRBDKDIWXNR-AWEZNQCLSA-N 1 0 282.428 2.184 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1cccc3C)CC2 ZINC000160338770 282117858 /nfs/dbraw/zinc/11/78/58/282117858.db2.gz CMVJYJOZJWXYAT-XJKSGUPXSA-N 1 0 282.391 2.487 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1C3CC4CC(C3)CC1C4)CC2 ZINC000160295008 282124839 /nfs/dbraw/zinc/12/48/39/282124839.db2.gz VJLIGCMNZUBDKW-UWRLEFKFSA-N 1 0 286.423 2.316 20 70 CEIDRO CCSCC[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000159804968 344456333 /nfs/dbraw/zinc/45/63/33/344456333.db2.gz ZSRNAEODOAZZOT-UHFFFAOYSA-N 1 0 272.458 2.320 20 70 CEIDRO CCOCCC[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000160389214 344459055 /nfs/dbraw/zinc/45/90/55/344459055.db2.gz BPZNPBQVYWUZOO-UHFFFAOYSA-N 1 0 294.395 2.209 20 70 CEIDRO CN(C(=O)c1ccc2ccccc2c1O)[C@@H](C[NH3+])C1CC1 ZINC000159866714 232249384 /nfs/dbraw/zinc/24/93/84/232249384.db2.gz KONKPJDNVOVNIL-HNNXBMFYSA-N 1 0 284.359 2.355 20 70 CEIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160283531 232250467 /nfs/dbraw/zinc/25/04/67/232250467.db2.gz SLVCDLNSZPPDTM-WCQYABFASA-N 1 0 297.420 2.222 20 70 CEIDRO COc1cc(CCC(=O)NCCC[NH+](C)C)ccc1Cl ZINC000160971937 232252741 /nfs/dbraw/zinc/25/27/41/232252741.db2.gz SUFIFKAWQNCXHF-UHFFFAOYSA-N 1 0 298.814 2.349 20 70 CEIDRO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159526432 188430640 /nfs/dbraw/zinc/43/06/40/188430640.db2.gz QJWSKSIBXUAPRB-CHWSQXEVSA-N 1 0 278.396 2.450 20 70 CEIDRO CC[C@H](O)CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000159568885 188432011 /nfs/dbraw/zinc/43/20/11/188432011.db2.gz YAPJARDXISNTDH-GJZGRUSLSA-N 1 0 263.381 2.303 20 70 CEIDRO Cc1ccccc1NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160053309 188453297 /nfs/dbraw/zinc/45/32/97/188453297.db2.gz CUPXMSYPFXIVAM-RVSPLBMKSA-N 1 0 288.391 2.466 20 70 CEIDRO O=C(C1CC[NH2+]CC1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160384025 188469282 /nfs/dbraw/zinc/46/92/82/188469282.db2.gz YWHGZDIZSWTMLN-AWEZNQCLSA-N 1 0 290.382 2.216 20 70 CEIDRO COCCCC[NH2+]Cc1cncc(Br)c1 ZINC000160569160 188480981 /nfs/dbraw/zinc/48/09/81/188480981.db2.gz FVKPTTTTWDOREE-UHFFFAOYSA-N 1 0 273.174 2.360 20 70 CEIDRO Cc1cccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)c1C ZINC000160835327 188493063 /nfs/dbraw/zinc/49/30/63/188493063.db2.gz HTXYMGBRFISIBE-ZIAGYGMSSA-N 1 0 260.381 2.480 20 70 CEIDRO CC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000161085745 188506757 /nfs/dbraw/zinc/50/67/57/188506757.db2.gz IJYWEWPHTFBNCL-DCAQKATOSA-N 1 0 293.392 2.205 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000161222620 188515240 /nfs/dbraw/zinc/51/52/40/188515240.db2.gz OMDAECHSFOCRAA-UHFFFAOYSA-N 1 0 284.350 2.389 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)C12CCCC2 ZINC000159558236 540096429 /nfs/dbraw/zinc/09/64/29/540096429.db2.gz KJGYQEMRKUKQTO-CHWSQXEVSA-N 1 0 280.412 2.112 20 70 CEIDRO CCCn1nccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000160106423 540112222 /nfs/dbraw/zinc/11/22/22/540112222.db2.gz SWAQWFOKWGRLLT-OAHLLOKOSA-N 1 0 271.364 2.386 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(Oc3nccs3)c2)C1 ZINC000160292493 540115046 /nfs/dbraw/zinc/11/50/46/540115046.db2.gz SSMSTIIQGYIGDJ-LLVKDONJSA-N 1 0 289.360 2.109 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)c1c(C)noc1C ZINC000160496807 540117601 /nfs/dbraw/zinc/11/76/01/540117601.db2.gz LMDBZONNQOKWQD-SECBINFHSA-N 1 0 267.373 2.029 20 70 CEIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Cc1cccs1 ZINC000161090743 540133146 /nfs/dbraw/zinc/13/31/46/540133146.db2.gz MSFKOFYGBWZFLC-UHTWSYAYSA-N 1 0 266.410 2.170 20 70 CEIDRO CCc1ccsc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161291777 540136302 /nfs/dbraw/zinc/13/63/02/540136302.db2.gz QRUIAFHHPZXVCC-WDEREUQCSA-N 1 0 252.383 2.310 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(Br)c2)C1 ZINC000161179491 540135245 /nfs/dbraw/zinc/13/52/45/540135245.db2.gz UOLFFFWWXNIKCL-VXGBXAGGSA-N 1 0 297.196 2.449 20 70 CEIDRO CC[NH+]1CCC(NC(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000159488596 540410762 /nfs/dbraw/zinc/41/07/62/540410762.db2.gz LOWUNIJVBIDDOY-UHFFFAOYSA-N 1 0 278.400 2.056 20 70 CEIDRO C[C@H](NCc1ccc(N(C)C)nc1)c1nnc2ccccn21 ZINC000159649344 540423074 /nfs/dbraw/zinc/42/30/74/540423074.db2.gz FVSDINQURYNFIA-LBPRGKRZSA-N 1 0 296.378 2.041 20 70 CEIDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160850305 540670576 /nfs/dbraw/zinc/67/05/76/540670576.db2.gz POCNASAPULMVKX-HZMBPMFUSA-N 1 0 296.798 2.370 20 70 CEIDRO Cc1ccc(N2CC[C@@H]([N@H+](C)CC3CC3)C2=O)cc1 ZINC000159388831 366908348 /nfs/dbraw/zinc/90/83/48/366908348.db2.gz RTTZJAGLPXEUFF-OAHLLOKOSA-N 1 0 258.365 2.442 20 70 CEIDRO CCn1ncnc1C[NH2+]CCc1cccc2cccnc21 ZINC000159388957 366908632 /nfs/dbraw/zinc/90/86/32/366908632.db2.gz GXEGZMRTEFHHEW-UHFFFAOYSA-N 1 0 281.363 2.179 20 70 CEIDRO Cc1ccc(N2CC[C@H]([N@H+](C)CC3CC3)C2=O)cc1 ZINC000159388705 366909188 /nfs/dbraw/zinc/90/91/88/366909188.db2.gz RTTZJAGLPXEUFF-HNNXBMFYSA-N 1 0 258.365 2.442 20 70 CEIDRO COCCN(C)CC[NH2+][C@H]1c2cc(F)ccc2C[C@H]1C ZINC000159433250 366913652 /nfs/dbraw/zinc/91/36/52/366913652.db2.gz MCTLDPONWNSJLS-MLGOLLRUSA-N 1 0 280.387 2.227 20 70 CEIDRO O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000159450275 366915289 /nfs/dbraw/zinc/91/52/89/366915289.db2.gz IMMVNMIIUHAYDS-XHSDSOJGSA-N 1 0 272.392 2.124 20 70 CEIDRO O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000159455884 366915399 /nfs/dbraw/zinc/91/53/99/366915399.db2.gz JIYMQQVXIOCTMX-SJORKVTESA-N 1 0 280.371 2.375 20 70 CEIDRO O=C(Nc1cnn(-c2ccccc2F)c1)[C@H]1CCCC[NH2+]1 ZINC000159480839 366918050 /nfs/dbraw/zinc/91/80/50/366918050.db2.gz QEBGGCBNFHLVHR-CYBMUJFWSA-N 1 0 288.326 2.092 20 70 CEIDRO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000159493366 366918737 /nfs/dbraw/zinc/91/87/37/366918737.db2.gz ISAICMAMDRCBOB-QWRGUYRKSA-N 1 0 282.334 2.184 20 70 CEIDRO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1cccs1 ZINC000159539275 366923815 /nfs/dbraw/zinc/92/38/15/366923815.db2.gz VKYSKSZWTUXLFL-LLVKDONJSA-N 1 0 266.410 2.404 20 70 CEIDRO CCc1oc(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1C ZINC000159571706 366927120 /nfs/dbraw/zinc/92/71/20/366927120.db2.gz LDERLXKQEIHTQJ-LBPRGKRZSA-N 1 0 264.369 2.365 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159798450 366950073 /nfs/dbraw/zinc/95/00/73/366950073.db2.gz QGZZLIUXUWTJIU-QWHCGFSZSA-N 1 0 255.406 2.062 20 70 CEIDRO CN(C)c1cccc(C[N@H+](C)CCOC[C@H]2CCCO2)c1 ZINC000159871060 366956543 /nfs/dbraw/zinc/95/65/43/366956543.db2.gz NABMMYJTFFXSIS-QGZVFWFLSA-N 1 0 292.423 2.380 20 70 CEIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1ccncc1 ZINC000159898112 366957854 /nfs/dbraw/zinc/95/78/54/366957854.db2.gz MAWLCSJJUHIFTP-HNNXBMFYSA-N 1 0 290.411 2.270 20 70 CEIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000159854673 366953351 /nfs/dbraw/zinc/95/33/51/366953351.db2.gz PIHXKICUNNEOEX-OLZOCXBDSA-N 1 0 278.421 2.370 20 70 CEIDRO COc1ccccc1C[C@@H](C)CC(=O)NCC(C)(C)[NH3+] ZINC000159941543 366960818 /nfs/dbraw/zinc/96/08/18/366960818.db2.gz IALYTJJZGMKASX-GFCCVEGCSA-N 1 0 278.396 2.117 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccccc1F ZINC000160021985 366966927 /nfs/dbraw/zinc/96/69/27/366966927.db2.gz UNTKSHXBSFUGEO-ZXIHIIQKSA-N 1 0 292.354 2.297 20 70 CEIDRO Cc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000160048914 366968135 /nfs/dbraw/zinc/96/81/35/366968135.db2.gz DVHRPHRXPZRVKD-JKIFEVAISA-N 1 0 288.391 2.466 20 70 CEIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160085427 366971603 /nfs/dbraw/zinc/97/16/03/366971603.db2.gz LWQJEPOGHNAIKW-VXGBXAGGSA-N 1 0 286.297 2.274 20 70 CEIDRO COc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000160216415 366984072 /nfs/dbraw/zinc/98/40/72/366984072.db2.gz JXDBSWSRZWXDMF-HIFRSBDPSA-N 1 0 298.390 2.418 20 70 CEIDRO CO[C@]1(C[NH2+]C[C@H]2CSc3ccccc32)CCOC1 ZINC000160269949 366989010 /nfs/dbraw/zinc/98/90/10/366989010.db2.gz DJTQAIKCVXSZEJ-WFASDCNBSA-N 1 0 279.405 2.271 20 70 CEIDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000160327981 366995017 /nfs/dbraw/zinc/99/50/17/366995017.db2.gz NNBZSDVAJLSPQV-CVEARBPZSA-N 1 0 299.455 2.444 20 70 CEIDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000160571685 367017819 /nfs/dbraw/zinc/01/78/19/367017819.db2.gz OTVFVJBLYUWXPE-ZFWWWQNUSA-N 1 0 298.390 2.049 20 70 CEIDRO CS[C@H](C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000160607126 367022327 /nfs/dbraw/zinc/02/23/27/367022327.db2.gz OEJGGZPSBMYPFR-HIFRSBDPSA-N 1 0 294.464 2.417 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)COC)c1 ZINC000160635000 367023994 /nfs/dbraw/zinc/02/39/94/367023994.db2.gz PGPDIYIBEWQQDU-HNNXBMFYSA-N 1 0 278.396 2.341 20 70 CEIDRO CCOCCC1(C(=O)NCC(C)(C)[NH+](C)C)CCC1 ZINC000160786486 367034267 /nfs/dbraw/zinc/03/42/67/367034267.db2.gz IPEXBYARTZPBOG-UHFFFAOYSA-N 1 0 270.417 2.040 20 70 CEIDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000160996663 367048744 /nfs/dbraw/zinc/04/87/44/367048744.db2.gz QUKAEUHZMYHXFV-HNNXBMFYSA-N 1 0 278.396 2.336 20 70 CEIDRO CC[N@H+](CCOc1ccccc1)Cc1cnn(C)c1 ZINC000161075872 367052889 /nfs/dbraw/zinc/05/28/89/367052889.db2.gz XFTIXFRAOUVASO-UHFFFAOYSA-N 1 0 259.353 2.321 20 70 CEIDRO Cc1nc(NC(=O)[C@H](C(C)C)[NH+](C)C)sc1C ZINC000161080786 367055322 /nfs/dbraw/zinc/05/53/22/367055322.db2.gz HJOWFVSIFIZOMH-JTQLQIEISA-N 1 0 255.387 2.285 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCO[C@@H](C)CC(C)C ZINC000161358879 367081759 /nfs/dbraw/zinc/08/17/59/367081759.db2.gz MVPGOLLZMGRWRT-KBPBESRZSA-N 1 0 270.417 2.038 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000161236595 367070330 /nfs/dbraw/zinc/07/03/30/367070330.db2.gz AERMXMBHBPJEFD-UHFFFAOYSA-N 1 0 292.305 2.149 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000161283410 367074308 /nfs/dbraw/zinc/07/43/08/367074308.db2.gz JAHJUFALVWSTNQ-SWLSCSKDSA-N 1 0 278.371 2.215 20 70 CEIDRO Cc1ccn(-c2ccccc2NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000161287623 367074463 /nfs/dbraw/zinc/07/44/63/367074463.db2.gz VSQDFWCVNRBRAV-OAHLLOKOSA-N 1 0 284.363 2.213 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cc(Cl)nc(N)n2)C1 ZINC000161303055 367075832 /nfs/dbraw/zinc/07/58/32/367075832.db2.gz DROYJGISAJLSCU-NSHDSACASA-N 1 0 297.834 2.492 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC000160699526 367028713 /nfs/dbraw/zinc/02/87/13/367028713.db2.gz BYQCMSDSCVONMX-CQSZACIVSA-N 1 0 276.380 2.009 20 70 CEIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccccc2)CCC1 ZINC000160693295 367028855 /nfs/dbraw/zinc/02/88/55/367028855.db2.gz FSHSXVFHXCVFMB-IYBDPMFKSA-N 1 0 284.403 2.461 20 70 CEIDRO CC(C)[N@H+]1C[C@H](NC(=O)CCc2ccccc2O)[C@@H](C)C1 ZINC000161377758 367082795 /nfs/dbraw/zinc/08/27/95/367082795.db2.gz NQLZBSWLIZSCSV-ZFWWWQNUSA-N 1 0 290.407 2.170 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000161440062 367086513 /nfs/dbraw/zinc/08/65/13/367086513.db2.gz KLAWNBIDYMNGTH-TZMCWYRMSA-N 1 0 276.380 2.139 20 70 CEIDRO C1CCC(N2CC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)C1 ZINC000161447117 367087644 /nfs/dbraw/zinc/08/76/44/367087644.db2.gz AQPYRPXWSVFDSF-OAHLLOKOSA-N 1 0 294.439 2.279 20 70 CEIDRO c1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2c(c1)OCCO2 ZINC000217637845 370198852 /nfs/dbraw/zinc/19/88/52/370198852.db2.gz NKCSNGVGVCMGNZ-CABCVRRESA-N 1 0 288.391 2.174 20 70 CEIDRO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(OC)c1 ZINC000217642762 370199175 /nfs/dbraw/zinc/19/91/75/370199175.db2.gz RVHYFSFPFAUBEK-CVEARBPZSA-N 1 0 290.407 2.420 20 70 CEIDRO CC[NH+](CC)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160729282 284578718 /nfs/dbraw/zinc/57/87/18/284578718.db2.gz NCSSVSKAMSBXSP-AWEZNQCLSA-N 1 0 282.428 2.326 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000159954176 285211851 /nfs/dbraw/zinc/21/18/51/285211851.db2.gz HJMYMTCTVRITBO-CYBMUJFWSA-N 1 0 267.417 2.302 20 70 CEIDRO COC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217674928 394455307 /nfs/dbraw/zinc/45/53/07/394455307.db2.gz BZWWTZYGTZJCKV-HOTGVXAUSA-N 1 0 288.391 2.190 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159810296 395059542 /nfs/dbraw/zinc/05/95/42/395059542.db2.gz DSPNUWXUFAEGIJ-YPMHNXCESA-N 1 0 266.772 2.393 20 70 CEIDRO CC(C)CC[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160178125 395060319 /nfs/dbraw/zinc/06/03/19/395060319.db2.gz ZYPQYPGFMXPIDM-QDEZUTFSSA-N 1 0 296.455 2.460 20 70 CEIDRO C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC[C@H]1[NH3+] ZINC000160208057 296800545 /nfs/dbraw/zinc/80/05/45/296800545.db2.gz XXKBRAKEANVUHY-YINFPWJTSA-N 1 0 276.424 2.254 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1OC1CCC1 ZINC000159711668 162311711 /nfs/dbraw/zinc/31/17/11/162311711.db2.gz IRMWGSVLCDZMRI-CQSZACIVSA-N 1 0 288.391 2.376 20 70 CEIDRO c1cn(CCN2CCC[N@H+](CC3CCCCC3)CC2)cn1 ZINC000159769031 162311836 /nfs/dbraw/zinc/31/18/36/162311836.db2.gz RPFADGHHVLHQLK-UHFFFAOYSA-N 1 0 290.455 2.471 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159772658 162313036 /nfs/dbraw/zinc/31/30/36/162313036.db2.gz YIAHBILBEHKJCI-GXFFZTMASA-N 1 0 282.359 2.083 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707303 162313631 /nfs/dbraw/zinc/31/36/31/162313631.db2.gz AABYPEOIWOQRQW-OCCSQVGLSA-N 1 0 298.390 2.163 20 70 CEIDRO Cc1ccc(CCC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159821950 162315130 /nfs/dbraw/zinc/31/51/30/162315130.db2.gz WFUBZRWHETYJMB-OAHLLOKOSA-N 1 0 260.381 2.123 20 70 CEIDRO COC(=O)c1occc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159944525 162319579 /nfs/dbraw/zinc/31/95/79/162319579.db2.gz HLDYRKLFABVJKB-NSHDSACASA-N 1 0 267.325 2.113 20 70 CEIDRO O=C(c1ccc(F)c(F)c1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160027424 162321663 /nfs/dbraw/zinc/32/16/63/162321663.db2.gz CCDDFBFRGSLYCH-DTORHVGOSA-N 1 0 284.281 2.070 20 70 CEIDRO CCN(CC)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160130948 162322439 /nfs/dbraw/zinc/32/24/39/162322439.db2.gz DXTCZXDBGPKFPI-AWEZNQCLSA-N 1 0 267.417 2.399 20 70 CEIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](CCO)CSC)c1 ZINC000160177368 162324820 /nfs/dbraw/zinc/32/48/20/162324820.db2.gz PVSUFDCBJJHHRZ-NEPJUHHUSA-N 1 0 299.436 2.468 20 70 CEIDRO CC[N@@H+](Cc1cnc2ccccn12)C[C@H]1CCCO1 ZINC000160431917 162327956 /nfs/dbraw/zinc/32/79/56/162327956.db2.gz PJWUMXVVHAVADX-CQSZACIVSA-N 1 0 259.353 2.335 20 70 CEIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000160326616 162328799 /nfs/dbraw/zinc/32/87/99/162328799.db2.gz JRDHLHGMSFBHAK-MRXNPFEDSA-N 1 0 281.359 2.198 20 70 CEIDRO CCCS(=O)(=O)CCN1CCC[C@H]1c1cccc(C)n1 ZINC000160289698 165033323 /nfs/dbraw/zinc/03/33/23/165033323.db2.gz GMTZFOITTYVWMV-HNNXBMFYSA-N 1 0 296.436 2.352 20 70 CEIDRO CC[C@H]([NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160125830 261205790 /nfs/dbraw/zinc/20/57/90/261205790.db2.gz DEBDZRMWCVRWRW-HOTGVXAUSA-N 1 0 290.407 2.324 20 70 CEIDRO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000160120177 276743674 /nfs/dbraw/zinc/74/36/74/276743674.db2.gz JFRWOARFSBCWPH-JKSUJKDBSA-N 1 0 272.392 2.002 20 70 CEIDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159559235 277199147 /nfs/dbraw/zinc/19/91/47/277199147.db2.gz WDTLMSCSDCTRJO-UPJWGTAASA-N 1 0 296.411 2.058 20 70 CEIDRO CCSCC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000159482678 280036872 /nfs/dbraw/zinc/03/68/72/280036872.db2.gz IQHKLYUBNLTSOE-AWEZNQCLSA-N 1 0 278.421 2.303 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000160134026 280095473 /nfs/dbraw/zinc/09/54/73/280095473.db2.gz BMXNYFQKUUSFPZ-CQSZACIVSA-N 1 0 284.444 2.164 20 70 CEIDRO Cc1c(C[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1C ZINC000160125685 280095478 /nfs/dbraw/zinc/09/54/78/280095478.db2.gz HWOAEJAYWJSVNK-UHFFFAOYSA-N 1 0 281.363 2.204 20 70 CEIDRO Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160125736 280095596 /nfs/dbraw/zinc/09/55/96/280095596.db2.gz FEEOTJXIIVXTGP-CQSZACIVSA-N 1 0 295.814 2.256 20 70 CEIDRO C[NH+](C)Cc1ccc(C(=O)NCC2(CO)CCCC2)cc1 ZINC000160273626 280095859 /nfs/dbraw/zinc/09/58/59/280095859.db2.gz SWBOMQFBWYTYCB-UHFFFAOYSA-N 1 0 290.407 2.031 20 70 CEIDRO Cc1cccc(O[C@@H](C)CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000161165495 281251036 /nfs/dbraw/zinc/25/10/36/281251036.db2.gz XNAUPOFYMDDUBH-AWEZNQCLSA-N 1 0 290.407 2.398 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000159389768 297428647 /nfs/dbraw/zinc/42/86/47/297428647.db2.gz JRRNYPCGQLANJU-CQSZACIVSA-N 1 0 299.386 2.108 20 70 CEIDRO C[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1cccs1 ZINC000160336969 298149700 /nfs/dbraw/zinc/14/97/00/298149700.db2.gz JPBDOEVDMZWQFQ-LBPRGKRZSA-N 1 0 296.436 2.079 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)Cc2csc(CC)n2)CC1 ZINC000160367661 519849083 /nfs/dbraw/zinc/84/90/83/519849083.db2.gz YVGYXQXCMSBDTO-UHFFFAOYSA-N 1 0 295.452 2.192 20 70 CEIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000161419612 523222446 /nfs/dbraw/zinc/22/24/46/523222446.db2.gz MQQTYAJSHYNRBB-ZIAGYGMSSA-N 1 0 288.395 2.054 20 70 CEIDRO O=C(c1ccc(C(F)(F)F)nc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160415775 526666458 /nfs/dbraw/zinc/66/64/58/526666458.db2.gz QVXUHPBRFCLHJM-PHIMTYICSA-N 1 0 299.296 2.067 20 70 CEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C=CCCC1 ZINC000159607756 528897011 /nfs/dbraw/zinc/89/70/11/528897011.db2.gz VWWWXRYLUPXLIC-CYBMUJFWSA-N 1 0 253.390 2.077 20 70 CEIDRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(C)n1 ZINC000160521115 282165493 /nfs/dbraw/zinc/16/54/93/282165493.db2.gz YWKXKEMBKQBYKS-ZBINZKHDSA-N 1 0 263.385 2.295 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000159369321 344454316 /nfs/dbraw/zinc/45/43/16/344454316.db2.gz ACOKCYZRQOUYJZ-HNNXBMFYSA-N 1 0 295.423 2.448 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159513224 344455145 /nfs/dbraw/zinc/45/51/45/344455145.db2.gz LVLIQGJOPMIOKC-KGLIPLIRSA-N 1 0 292.398 2.462 20 70 CEIDRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000160136849 344457708 /nfs/dbraw/zinc/45/77/08/344457708.db2.gz QAMLWDLRSIWDFX-CMPLNLGQSA-N 1 0 252.383 2.062 20 70 CEIDRO CN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000160769551 344461165 /nfs/dbraw/zinc/46/11/65/344461165.db2.gz KRJAMSAVGPYEHI-AWEZNQCLSA-N 1 0 279.428 2.445 20 70 CEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000161346343 232253922 /nfs/dbraw/zinc/25/39/22/232253922.db2.gz DDFVUSXLWQEUCL-BMFZPTHFSA-N 1 0 274.408 2.478 20 70 CEIDRO Cc1c(Cl)cccc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160055495 188453664 /nfs/dbraw/zinc/45/36/64/188453664.db2.gz JJWUYKLYSBYRKR-CQSZACIVSA-N 1 0 295.814 2.256 20 70 CEIDRO [NH3+]C1(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CCCCC1 ZINC000160422337 188471712 /nfs/dbraw/zinc/47/17/12/188471712.db2.gz LJPMXUJGRKKYBJ-UHFFFAOYSA-N 1 0 287.363 2.171 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000161197141 188514324 /nfs/dbraw/zinc/51/43/24/188514324.db2.gz OMTUEHQBGASVFR-GXTWGEPZSA-N 1 0 276.380 2.009 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000161439805 188527007 /nfs/dbraw/zinc/52/70/07/188527007.db2.gz KLAWNBIDYMNGTH-GXTWGEPZSA-N 1 0 276.380 2.139 20 70 CEIDRO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000159485524 540084761 /nfs/dbraw/zinc/08/47/61/540084761.db2.gz SAYLVIRWKYMRKF-CABCVRRESA-N 1 0 274.408 2.499 20 70 CEIDRO CCCn1nccc1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000160087472 540111666 /nfs/dbraw/zinc/11/16/66/540111666.db2.gz BGHORKLJYZOOQJ-AWEZNQCLSA-N 1 0 266.433 2.359 20 70 CEIDRO CCCn1nccc1C[NH2+]CCN1CCC(C)CC1 ZINC000160114759 540112341 /nfs/dbraw/zinc/11/23/41/540112341.db2.gz GUCZVULNTDOTTG-UHFFFAOYSA-N 1 0 264.417 2.115 20 70 CEIDRO CCCCOCCCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000160307882 540114973 /nfs/dbraw/zinc/11/49/73/540114973.db2.gz QHDJQWVFVXWSLA-UHFFFAOYSA-N 1 0 290.407 2.269 20 70 CEIDRO C[C@H]([NH3+])CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000160682316 540120447 /nfs/dbraw/zinc/12/04/47/540120447.db2.gz VGFMYLWHRWENIJ-ZETCQYMHSA-N 1 0 277.246 2.054 20 70 CEIDRO Cc1ccc(OCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000160865212 540125735 /nfs/dbraw/zinc/12/57/35/540125735.db2.gz SMDDZDZURAQZJG-LSDHHAIUSA-N 1 0 290.407 2.458 20 70 CEIDRO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCCC[C@@H]1O ZINC000161081323 540132366 /nfs/dbraw/zinc/13/23/66/540132366.db2.gz AYHAVFFHVZLZON-MCIONIFRSA-N 1 0 277.364 2.062 20 70 CEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000161345195 540136989 /nfs/dbraw/zinc/13/69/89/540136989.db2.gz XZQYMTPQXPMZBS-BMFZPTHFSA-N 1 0 274.408 2.478 20 70 CEIDRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000159715772 366941502 /nfs/dbraw/zinc/94/15/02/366941502.db2.gz ARVSBZQCYRIKJC-JKSUJKDBSA-N 1 0 272.392 2.439 20 70 CEIDRO [NH3+]CCCC(=O)NCC1(Sc2ccccc2)CC1 ZINC000159705329 366941653 /nfs/dbraw/zinc/94/16/53/366941653.db2.gz WBMYMIRUHJMUBZ-UHFFFAOYSA-N 1 0 264.394 2.166 20 70 CEIDRO COCCN(C)CC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000159416672 366910889 /nfs/dbraw/zinc/91/08/89/366910889.db2.gz BWPRVMUIAQFOGO-GOSISDBHSA-N 1 0 290.451 2.484 20 70 CEIDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431562 366911390 /nfs/dbraw/zinc/91/13/90/366911390.db2.gz WUVLCXCOCYDSLF-DOMZBBRYSA-N 1 0 299.436 2.292 20 70 CEIDRO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159452374 366914869 /nfs/dbraw/zinc/91/48/69/366914869.db2.gz NBPZYCGAMBBJJM-HUBLWGQQSA-N 1 0 294.370 2.246 20 70 CEIDRO Cc1nc(Cl)ccc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000159448142 366914937 /nfs/dbraw/zinc/91/49/37/366914937.db2.gz TXRJTWUTLMWFRJ-NWDGAFQWSA-N 1 0 293.798 2.352 20 70 CEIDRO CCn1nc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c2ccccc21 ZINC000159451730 366915179 /nfs/dbraw/zinc/91/51/79/366915179.db2.gz OFFYIFWADQIWEG-MLGOLLRUSA-N 1 0 273.380 2.259 20 70 CEIDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CCC[C@@H]1O ZINC000159482738 366918357 /nfs/dbraw/zinc/91/83/57/366918357.db2.gz KINZUDVEYBKJSC-NEPJUHHUSA-N 1 0 254.761 2.328 20 70 CEIDRO C[N@@H+](Cc1cnc(Cl)s1)C[C@@H]1CCC[C@@H]1O ZINC000159555093 366925803 /nfs/dbraw/zinc/92/58/03/366925803.db2.gz BTHAEGCRSRTNIP-WPRPVWTQSA-N 1 0 260.790 2.389 20 70 CEIDRO CCc1oc(C(=O)NCC(C)(C)C[NH+](C)C)cc1C ZINC000159580282 366928300 /nfs/dbraw/zinc/92/83/00/366928300.db2.gz CBNNYNJLOVDOMC-UHFFFAOYSA-N 1 0 266.385 2.468 20 70 CEIDRO FC(F)n1ccnc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159576802 366928763 /nfs/dbraw/zinc/92/87/63/366928763.db2.gz SJFSGENHYPNUQE-JLLWLGSASA-N 1 0 283.322 2.325 20 70 CEIDRO Cc1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159602704 366931281 /nfs/dbraw/zinc/93/12/81/366931281.db2.gz JDBHYEQXBBVMII-XQQFMLRXSA-N 1 0 264.394 2.499 20 70 CEIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159653161 366935924 /nfs/dbraw/zinc/93/59/24/366935924.db2.gz BZHVHEONPGQVQA-JONQDZQNSA-N 1 0 296.455 2.259 20 70 CEIDRO CCOC(=O)CC[N@H+](CCc1nccs1)C(C)C ZINC000159801529 366949618 /nfs/dbraw/zinc/94/96/18/366949618.db2.gz KBPRTZVOKDQSSI-UHFFFAOYSA-N 1 0 270.398 2.349 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCCCC1 ZINC000159838686 366952776 /nfs/dbraw/zinc/95/27/76/366952776.db2.gz CITNNRLOJMTRAC-UHFFFAOYSA-N 1 0 295.452 2.409 20 70 CEIDRO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159863761 366954993 /nfs/dbraw/zinc/95/49/93/366954993.db2.gz QUSIZQXWYPQNQL-AWEZNQCLSA-N 1 0 291.439 2.345 20 70 CEIDRO CC(C)([NH3+])CNC(=O)Cc1ccc(Cl)cc1Cl ZINC000159925934 366959095 /nfs/dbraw/zinc/95/90/95/366959095.db2.gz QEROSVCECHAIBI-UHFFFAOYSA-N 1 0 275.179 2.389 20 70 CEIDRO C/C(=C/C(=O)NCCC[NH3+])c1ccccc1OC(F)F ZINC000160089795 366971392 /nfs/dbraw/zinc/97/13/92/366971392.db2.gz DFGSIBSDHNAYDB-KTKRTIGZSA-N 1 0 284.306 2.156 20 70 CEIDRO C[NH+](C)CCCC1CCN(C(=O)NCC2CC2)CC1 ZINC000160109565 366974610 /nfs/dbraw/zinc/97/46/10/366974610.db2.gz QWTXMIIIHJIDSE-UHFFFAOYSA-N 1 0 267.417 2.160 20 70 CEIDRO OCC1(C[NH2+]Cc2cnc3ccccc3n2)CCCC1 ZINC000160119920 366975008 /nfs/dbraw/zinc/97/50/08/366975008.db2.gz MECMNSRPIHTHIN-UHFFFAOYSA-N 1 0 271.364 2.272 20 70 CEIDRO Cc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1Cl ZINC000160150074 366977672 /nfs/dbraw/zinc/97/76/72/366977672.db2.gz WIZZBNKWAABKBM-CQSZACIVSA-N 1 0 295.814 2.256 20 70 CEIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000160194079 366980938 /nfs/dbraw/zinc/98/09/38/366980938.db2.gz BTXAXRIUOWCXQJ-HNNXBMFYSA-N 1 0 278.396 2.197 20 70 CEIDRO Cc1sc2ncnc(N(C)[C@H](C[NH3+])C3CC3)c2c1C ZINC000160204933 366982555 /nfs/dbraw/zinc/98/25/55/366982555.db2.gz YOBXTFZXNYSWKE-LLVKDONJSA-N 1 0 276.409 2.482 20 70 CEIDRO C[C@@H](CNC(=O)NC1(C)CCC1)[NH+]1CCC(C)CC1 ZINC000160213961 366984000 /nfs/dbraw/zinc/98/40/00/366984000.db2.gz SUDDZXKQURRUFS-ZDUSSCGKSA-N 1 0 267.417 2.349 20 70 CEIDRO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160345841 366997312 /nfs/dbraw/zinc/99/73/12/366997312.db2.gz RKRLTAGTCWBLQF-OAHLLOKOSA-N 1 0 276.380 2.315 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160326388 366995247 /nfs/dbraw/zinc/99/52/47/366995247.db2.gz UJRUFSMSGJFJBW-GRYCIOLGSA-N 1 0 280.318 2.018 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccs1)CC2 ZINC000160368981 366999916 /nfs/dbraw/zinc/99/99/16/366999916.db2.gz JHKCXZPJBASKNC-MWLCHTKSSA-N 1 0 262.382 2.314 20 70 CEIDRO Cc1cccc2[nH]c(CNC(=O)[C@H](C(C)C)[NH+](C)C)nc21 ZINC000160445100 367006339 /nfs/dbraw/zinc/00/63/39/367006339.db2.gz AKHPGJKWUDRYOM-HNNXBMFYSA-N 1 0 288.395 2.074 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC000160520734 367012441 /nfs/dbraw/zinc/01/24/41/367012441.db2.gz VLCJTNYWBURTTP-CMPLNLGQSA-N 1 0 278.421 2.307 20 70 CEIDRO CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)c1cc(F)ccc1F ZINC000160658262 367024905 /nfs/dbraw/zinc/02/49/05/367024905.db2.gz FZNIYMRNNOFZOX-TVQRCGJNSA-N 1 0 270.323 2.388 20 70 CEIDRO CCCC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000160780583 367034387 /nfs/dbraw/zinc/03/43/87/367034387.db2.gz WWDAEBVYGQTKMN-ZIAGYGMSSA-N 1 0 252.402 2.461 20 70 CEIDRO COc1ccc(CN(C)Cc2cc[nH]n2)c(OC)c1 ZINC000160840653 367037947 /nfs/dbraw/zinc/03/79/47/367037947.db2.gz KZSFWBYIQRAEQI-UHFFFAOYSA-N 1 0 261.325 2.059 20 70 CEIDRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H](C)[NH3+])cc1 ZINC000160879627 367039784 /nfs/dbraw/zinc/03/97/84/367039784.db2.gz KJQMKVWVQRJUJX-ZDUSSCGKSA-N 1 0 292.423 2.460 20 70 CEIDRO C[N@H+](CCNC(=O)[C@@H]1CC1(C)C)Cc1ccc(F)cc1 ZINC000160904995 367042602 /nfs/dbraw/zinc/04/26/02/367042602.db2.gz QVMKGXPJLCPXAP-AWEZNQCLSA-N 1 0 278.371 2.420 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972594 367046437 /nfs/dbraw/zinc/04/64/37/367046437.db2.gz IEEHCFJZLWXWGA-GJZGRUSLSA-N 1 0 292.423 2.117 20 70 CEIDRO CO[C@H]1CCN(Cc2ccc(C)c(F)c2)[C@@H](C[NH3+])C1 ZINC000160996096 367048608 /nfs/dbraw/zinc/04/86/08/367048608.db2.gz MGRSKYGCXUNSJS-KGLIPLIRSA-N 1 0 266.360 2.072 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161046162 367052130 /nfs/dbraw/zinc/05/21/30/367052130.db2.gz IERQDIZGOLEQPV-GIPNMCIBSA-N 1 0 250.317 2.082 20 70 CEIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CCC[NH3+])cc1 ZINC000161103938 367057943 /nfs/dbraw/zinc/05/79/43/367057943.db2.gz HCMJCNFKGMLMGX-RDJZCZTQSA-N 1 0 290.407 2.318 20 70 CEIDRO CC[C@H](C(=O)N[C@@H](C)Cc1ccccc1F)[NH+](C)C ZINC000161128614 367059080 /nfs/dbraw/zinc/05/90/80/367059080.db2.gz HVPNNDOJIWGBKY-SMDDNHRTSA-N 1 0 266.360 2.213 20 70 CEIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C12CCCCC2 ZINC000161178766 367065099 /nfs/dbraw/zinc/06/50/99/367065099.db2.gz QUVITEUWDLJNCO-KKUMJFAQSA-N 1 0 294.439 2.373 20 70 CEIDRO O=C(NCc1ccccc1OC1CCC1)[C@H]1CCC[NH2+]C1 ZINC000161199897 367067155 /nfs/dbraw/zinc/06/71/55/367067155.db2.gz CGGAIBAZHXHUHY-AWEZNQCLSA-N 1 0 288.391 2.234 20 70 CEIDRO CC1(O)CCN(CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000161202087 367067508 /nfs/dbraw/zinc/06/75/08/367067508.db2.gz DQWOAHBIRCLEDI-UHFFFAOYSA-N 1 0 272.348 2.197 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Oc1ccc(F)cc1 ZINC000161244324 367071681 /nfs/dbraw/zinc/07/16/81/367071681.db2.gz NICJJRROTYDCIQ-GFCCVEGCSA-N 1 0 296.386 2.474 20 70 CEIDRO CCCOc1ccc(CCC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160680402 367026573 /nfs/dbraw/zinc/02/65/73/367026573.db2.gz RSEKYWXUXFLMIK-HNNXBMFYSA-N 1 0 290.407 2.228 20 70 CEIDRO CC(C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700950 367028222 /nfs/dbraw/zinc/02/82/22/367028222.db2.gz PIFXRHDJXDTGEM-UONOGXRCSA-N 1 0 297.349 2.418 20 70 CEIDRO CCCOc1cccc(CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000160691561 367028801 /nfs/dbraw/zinc/02/88/01/367028801.db2.gz RGUYRNNVDKNDOJ-UHFFFAOYSA-N 1 0 290.407 2.228 20 70 CEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000161426972 367085062 /nfs/dbraw/zinc/08/50/62/367085062.db2.gz ZXHPBUKUFSNYGI-NEPJUHHUSA-N 1 0 296.436 2.434 20 70 CEIDRO COc1ccc(CNC[C@H](C)[N@H+](C)C2CC2)c(F)c1 ZINC000218606646 370211541 /nfs/dbraw/zinc/21/15/41/370211541.db2.gz GWEWCMVJQXPNFH-NSHDSACASA-N 1 0 266.360 2.407 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cnc2c(c1)c(C)nn2C ZINC000217392954 370194892 /nfs/dbraw/zinc/19/48/92/370194892.db2.gz LDDLXWPKTNOOQY-LBPRGKRZSA-N 1 0 289.427 2.097 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000217851520 370201249 /nfs/dbraw/zinc/20/12/49/370201249.db2.gz SKTJEDWXENQLBX-OAHLLOKOSA-N 1 0 291.420 2.076 20 70 CEIDRO [NH3+][C@H]1CC[C@@H](C(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000161449658 295340846 /nfs/dbraw/zinc/34/08/46/295340846.db2.gz HJELUOUCCQNPSK-OLZOCXBDSA-N 1 0 282.453 2.392 20 70 CEIDRO CC1CCC(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000159706161 395059456 /nfs/dbraw/zinc/05/94/56/395059456.db2.gz AUYJGKNLINWVCV-GNRIBBGQSA-N 1 0 252.402 2.399 20 70 CEIDRO COC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161051473 400283726 /nfs/dbraw/zinc/28/37/26/400283726.db2.gz BDMIQBATHKSWDM-CQSZACIVSA-N 1 0 290.407 2.224 20 70 CEIDRO CCS[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000159699116 286703802 /nfs/dbraw/zinc/70/38/02/286703802.db2.gz JZRZEEXMFGHFOZ-FRRDWIJNSA-N 1 0 270.442 2.117 20 70 CEIDRO Cc1cccc([C@@H]2CCCN2CCS(=O)(=O)C(C)C)n1 ZINC000159921422 162317920 /nfs/dbraw/zinc/31/79/20/162317920.db2.gz GPUULGVHOWERNW-HNNXBMFYSA-N 1 0 296.436 2.350 20 70 CEIDRO CCc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159945834 162320815 /nfs/dbraw/zinc/32/08/15/162320815.db2.gz ZXDWOEAQDAXPIO-IYBDPMFKSA-N 1 0 272.392 2.144 20 70 CEIDRO O=C(c1cccc(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160139570 162322591 /nfs/dbraw/zinc/32/25/91/162322591.db2.gz UKGNYHKQBLRSOT-BETUJISGSA-N 1 0 264.756 2.307 20 70 CEIDRO CCCCCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160191638 162326113 /nfs/dbraw/zinc/32/61/13/162326113.db2.gz QZWVCXDLZVWGFQ-HEHGZKQESA-N 1 0 282.428 2.215 20 70 CEIDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000160219332 162326329 /nfs/dbraw/zinc/32/63/29/162326329.db2.gz YWUFRVLIGQUHIZ-CJNGLKHVSA-N 1 0 263.381 2.433 20 70 CEIDRO COCCN(CC[NH2+]CC(C)C)C(=O)OC(C)(C)C ZINC000218144312 280210119 /nfs/dbraw/zinc/21/01/19/280210119.db2.gz MFWJACJLSVBCRA-UHFFFAOYSA-N 1 0 274.405 2.116 20 70 CEIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000160362564 275989027 /nfs/dbraw/zinc/98/90/27/275989027.db2.gz WSNDDLQIQDHOGH-GJZGRUSLSA-N 1 0 282.428 2.086 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000161175205 277276800 /nfs/dbraw/zinc/27/68/00/277276800.db2.gz ONYVYGNRNGHYQJ-KGLIPLIRSA-N 1 0 288.391 2.153 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000161224213 277277838 /nfs/dbraw/zinc/27/78/38/277277838.db2.gz LXLLKHONLRKIOD-ZDUSSCGKSA-N 1 0 285.347 2.166 20 70 CEIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160520996 277932486 /nfs/dbraw/zinc/93/24/86/277932486.db2.gz KBHNVRJZZMECLD-SMDDNHRTSA-N 1 0 286.379 2.261 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000160375214 278060009 /nfs/dbraw/zinc/06/00/09/278060009.db2.gz UZMATKONBXHUOF-UKRRQHHQSA-N 1 0 290.407 2.385 20 70 CEIDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)o1 ZINC000160549181 280942474 /nfs/dbraw/zinc/94/24/74/280942474.db2.gz DQIYMHDLHYKGRK-PWSUYJOCSA-N 1 0 260.341 2.154 20 70 CEIDRO CCN(CC[NH2+][C@H](C)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000159455073 297428922 /nfs/dbraw/zinc/42/89/22/297428922.db2.gz DPFQKEYEOQVXST-CHWSQXEVSA-N 1 0 286.416 2.258 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000160108033 297432979 /nfs/dbraw/zinc/43/29/79/297432979.db2.gz DQCKIABSWLKNRY-SNVBAGLBSA-N 1 0 299.802 2.170 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160307717 297434782 /nfs/dbraw/zinc/43/47/82/297434782.db2.gz WATMJOBURLBCDU-JTQLQIEISA-N 1 0 260.259 2.467 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccoc1 ZINC000160705230 312639932 /nfs/dbraw/zinc/63/99/32/312639932.db2.gz IQPOELWHVWRTCA-WPRPVWTQSA-N 1 0 276.258 2.093 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCCOc1ccc(F)cc1 ZINC000161199683 312644082 /nfs/dbraw/zinc/64/40/82/312644082.db2.gz AEVZOMIHQOXAKQ-UHFFFAOYSA-N 1 0 296.386 2.476 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2F)CC1 ZINC000160386306 519851196 /nfs/dbraw/zinc/85/11/96/519851196.db2.gz LSBRHIMSMMMQEI-UHFFFAOYSA-N 1 0 294.370 2.392 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 ZINC000161086427 519915021 /nfs/dbraw/zinc/91/50/21/519915021.db2.gz GURHAIUEHIKBJQ-CVEARBPZSA-N 1 0 287.407 2.033 20 70 CEIDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160871444 521492168 /nfs/dbraw/zinc/49/21/68/521492168.db2.gz IPHCBRSEKZEOBM-HNNXBMFYSA-N 1 0 286.423 2.498 20 70 CEIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](C(C)C)C2)nc1 ZINC000160596190 522014871 /nfs/dbraw/zinc/01/48/71/522014871.db2.gz MNWBSAROZZOMGI-ZDUSSCGKSA-N 1 0 262.353 2.346 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000160765667 522393301 /nfs/dbraw/zinc/39/33/01/522393301.db2.gz QVWPZWMMDGQBHC-SNVBAGLBSA-N 1 0 293.417 2.306 20 70 CEIDRO CCc1oc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000160625233 522981808 /nfs/dbraw/zinc/98/18/08/522981808.db2.gz MIWSZQSLXUIRBA-TXEJJXNPSA-N 1 0 262.353 2.117 20 70 CEIDRO CC[C@H](C(=O)NC[C@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000159667787 523782598 /nfs/dbraw/zinc/78/25/98/523782598.db2.gz BETQVTNZYGAHHV-UKRRQHHQSA-N 1 0 289.423 2.067 20 70 CEIDRO C[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)[C@@H]1CO ZINC000160945358 524088237 /nfs/dbraw/zinc/08/82/37/524088237.db2.gz PYVSGHGRTLBPQP-WMLDXEAASA-N 1 0 294.414 2.350 20 70 CEIDRO Cc1nc2ccccn2c1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000160458927 527175722 /nfs/dbraw/zinc/17/57/22/527175722.db2.gz BMVNUZXQGDOBHF-OAHLLOKOSA-N 1 0 286.423 2.416 20 70 CEIDRO CC(C)[C@H](C(=O)NCCCOc1ccccc1)[NH+](C)C ZINC000160120317 528917994 /nfs/dbraw/zinc/91/79/94/528917994.db2.gz KZTAIYABLKADJV-OAHLLOKOSA-N 1 0 278.396 2.158 20 70 CEIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000161379501 539252971 /nfs/dbraw/zinc/25/29/71/539252971.db2.gz MRHDLCDMUPKRTH-MNOVXSKESA-N 1 0 252.383 2.365 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000159380120 344454374 /nfs/dbraw/zinc/45/43/74/344454374.db2.gz MMUTZRVCVLFBLJ-CQSZACIVSA-N 1 0 281.396 2.139 20 70 CEIDRO C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159513091 344454864 /nfs/dbraw/zinc/45/48/64/344454864.db2.gz LVLIQGJOPMIOKC-KBPBESRZSA-N 1 0 292.398 2.462 20 70 CEIDRO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000159495734 344455126 /nfs/dbraw/zinc/45/51/26/344455126.db2.gz SLMSVFPIGYACHE-AAEUAGOBSA-N 1 0 278.421 2.452 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1OC ZINC000161202044 290725322 /nfs/dbraw/zinc/72/53/22/290725322.db2.gz DEUGZCHJXBYLCS-UONOGXRCSA-N 1 0 290.407 2.399 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000160733458 232252521 /nfs/dbraw/zinc/25/25/21/232252521.db2.gz MYXXKWWDWNBHDG-SNPRPXQTSA-N 1 0 260.381 2.342 20 70 CEIDRO CC(C)n1cc([C@H](C)[NH2+]CCCN2CCCC2=O)cn1 ZINC000159569645 188431827 /nfs/dbraw/zinc/43/18/27/188431827.db2.gz GEKOOXZPSRJEGD-ZDUSSCGKSA-N 1 0 278.400 2.127 20 70 CEIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000159780017 188441068 /nfs/dbraw/zinc/44/10/68/188441068.db2.gz GBVWBROPNKTIIQ-GFCCVEGCSA-N 1 0 293.363 2.471 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC000160520395 188477947 /nfs/dbraw/zinc/47/79/47/188477947.db2.gz VLCJTNYWBURTTP-PWSUYJOCSA-N 1 0 278.421 2.307 20 70 CEIDRO CO[C@H]1CCN(Cc2ccc(F)c(C)c2)[C@@H](C[NH3+])C1 ZINC000161030018 188504250 /nfs/dbraw/zinc/50/42/50/188504250.db2.gz IGZWDMIZRAADIZ-KGLIPLIRSA-N 1 0 266.360 2.072 20 70 CEIDRO CC[NH2+]CCNCc1ccc(Br)cc1F ZINC000161318734 188521533 /nfs/dbraw/zinc/52/15/33/188521533.db2.gz TWZKLARVKNZNCL-UHFFFAOYSA-N 1 0 275.165 2.287 20 70 CEIDRO C[C@H](CNC(=O)C[NH2+]CC1CC1)Oc1cccc(Cl)c1 ZINC000161400386 188525433 /nfs/dbraw/zinc/52/54/33/188525433.db2.gz VLZKBJPPSKNGBG-LLVKDONJSA-N 1 0 296.798 2.223 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000159789183 540103647 /nfs/dbraw/zinc/10/36/47/540103647.db2.gz ZIHJLEXUYYLAKD-GJZGRUSLSA-N 1 0 260.381 2.294 20 70 CEIDRO CCCn1nccc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000160057609 540111068 /nfs/dbraw/zinc/11/10/68/540111068.db2.gz OQCYTWBXFVOCGN-CQSZACIVSA-N 1 0 273.384 2.194 20 70 CEIDRO CC(C)[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000159596582 540099170 /nfs/dbraw/zinc/09/91/70/540099170.db2.gz UCKQYVZZNBDJKS-CMPLNLGQSA-N 1 0 278.318 2.033 20 70 CEIDRO CC(C)(C)c1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000160760390 540122517 /nfs/dbraw/zinc/12/25/17/540122517.db2.gz XABODZBVXBNVRV-NXEZZACHSA-N 1 0 281.425 2.440 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2cccc(Cl)c2)C1 ZINC000160866782 540125637 /nfs/dbraw/zinc/12/56/37/540125637.db2.gz RYHFFDYWYJJUSN-OLZOCXBDSA-N 1 0 296.798 2.495 20 70 CEIDRO C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Cc1cccs1 ZINC000161090861 540133174 /nfs/dbraw/zinc/13/31/74/540133174.db2.gz MSFKOFYGBWZFLC-RTXFEEFZSA-N 1 0 266.410 2.170 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000161316358 540136567 /nfs/dbraw/zinc/13/65/67/540136567.db2.gz FCHINPZPCJXGOR-BDAKNGLRSA-N 1 0 272.270 2.104 20 70 CEIDRO CC(C)Oc1cccc(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161298326 540136704 /nfs/dbraw/zinc/13/67/04/540136704.db2.gz SOQPPJUCMQJNHL-HUUCEWRRSA-N 1 0 290.407 2.402 20 70 CEIDRO C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161225513 540135443 /nfs/dbraw/zinc/13/54/43/540135443.db2.gz DSSSJIWVSPRBCB-QLFBSQMISA-N 1 0 290.407 2.478 20 70 CEIDRO C[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+](C)C ZINC000160629545 540628904 /nfs/dbraw/zinc/62/89/04/540628904.db2.gz BATKRFZNWSSQNA-JTQLQIEISA-N 1 0 283.441 2.049 20 70 CEIDRO CCC[C@H]1CN(C(=O)NC(CC)CC)CC[N@@H+]1CCOC ZINC000159676745 366939325 /nfs/dbraw/zinc/93/93/25/366939325.db2.gz RNDSGRINMSNRKX-HNNXBMFYSA-N 1 0 299.459 2.317 20 70 CEIDRO COCCC1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000159704850 366940178 /nfs/dbraw/zinc/94/01/78/366940178.db2.gz SRVLSZHNYMRDJJ-CQSZACIVSA-N 1 0 296.455 2.430 20 70 CEIDRO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000159422635 366911550 /nfs/dbraw/zinc/91/15/50/366911550.db2.gz CWGNWPFULDJERG-JONQDZQNSA-N 1 0 296.455 2.428 20 70 CEIDRO C[C@@H]1C[C@@H](CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000159450565 366914243 /nfs/dbraw/zinc/91/42/43/366914243.db2.gz OTGDUEFMLNXLCB-OLZOCXBDSA-N 1 0 252.402 2.271 20 70 CEIDRO O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000159455755 366915145 /nfs/dbraw/zinc/91/51/45/366915145.db2.gz JIYMQQVXIOCTMX-IRXDYDNUSA-N 1 0 280.371 2.375 20 70 CEIDRO C[C@@H](O)CN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000159466869 366916077 /nfs/dbraw/zinc/91/60/77/366916077.db2.gz BUIUSMUWCDCKCE-MNOVXSKESA-N 1 0 261.325 2.110 20 70 CEIDRO CCCO[C@@H]1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000159470700 366916633 /nfs/dbraw/zinc/91/66/33/366916633.db2.gz KUSVMLTZSJSEKW-CQSZACIVSA-N 1 0 270.417 2.182 20 70 CEIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C2([NH3+])CC2)cc1 ZINC000159529354 366922698 /nfs/dbraw/zinc/92/26/98/366922698.db2.gz UNVXYUNZDXCANW-LSDHHAIUSA-N 1 0 288.391 2.070 20 70 CEIDRO CC[C@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159618065 366932924 /nfs/dbraw/zinc/93/29/24/366932924.db2.gz GKVKGDVWBXCDSU-SWLSCSKDSA-N 1 0 258.365 2.132 20 70 CEIDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159650813 366935540 /nfs/dbraw/zinc/93/55/40/366935540.db2.gz YQAJEORUMKDAOD-LLVKDONJSA-N 1 0 292.427 2.386 20 70 CEIDRO C[N@H+](CCNC(=O)NC1(C)CCC1)Cc1ccccc1 ZINC000159904574 366958047 /nfs/dbraw/zinc/95/80/47/366958047.db2.gz JYVKEWLSEPHLMW-UHFFFAOYSA-N 1 0 275.396 2.360 20 70 CEIDRO C[C@@H]1C[C@@H](NC(=O)N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159962272 366962466 /nfs/dbraw/zinc/96/24/66/366962466.db2.gz BDNFINFDALDPFV-UKRRQHHQSA-N 1 0 287.407 2.453 20 70 CEIDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160100198 366973295 /nfs/dbraw/zinc/97/32/95/366973295.db2.gz XXYVIUOKRHRPTG-LBPRGKRZSA-N 1 0 277.403 2.036 20 70 CEIDRO Cn1c(C[NH2+]CC2(CO)CCCC2)nc2ccccc21 ZINC000160111178 366974731 /nfs/dbraw/zinc/97/47/31/366974731.db2.gz OAKGIPIUAOSUEC-UHFFFAOYSA-N 1 0 273.380 2.216 20 70 CEIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000160333396 366997059 /nfs/dbraw/zinc/99/70/59/366997059.db2.gz FMQDCFIBNLWYDF-SNPRPXQTSA-N 1 0 296.455 2.474 20 70 CEIDRO CN1C(=O)C[C@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000160064600 366970636 /nfs/dbraw/zinc/97/06/36/366970636.db2.gz XNXYCMQCFVVDLQ-AWEZNQCLSA-N 1 0 288.391 2.237 20 70 CEIDRO CCOc1ccccc1OCCN(C)[C@H](C[NH3+])C1CC1 ZINC000160072339 366970705 /nfs/dbraw/zinc/97/07/05/366970705.db2.gz IFXNNWILSHZPAD-CQSZACIVSA-N 1 0 278.396 2.133 20 70 CEIDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)CN1Cc1ccccc1 ZINC000160601483 367021102 /nfs/dbraw/zinc/02/11/02/367021102.db2.gz WRCQHJRGKDHGJJ-HIFRSBDPSA-N 1 0 262.397 2.010 20 70 CEIDRO CS[C@@H](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000160607259 367022649 /nfs/dbraw/zinc/02/26/49/367022649.db2.gz OEJGGZPSBMYPFR-DZGCQCFKSA-N 1 0 294.464 2.417 20 70 CEIDRO CNC(=O)c1cc(C)ccc1NC(=O)CCCCCC[NH3+] ZINC000160616519 367022818 /nfs/dbraw/zinc/02/28/18/367022818.db2.gz JKIOVLBFBKHBTE-UHFFFAOYSA-N 1 0 291.395 2.202 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC=CC1 ZINC000160395444 367002375 /nfs/dbraw/zinc/00/23/75/367002375.db2.gz JYOPKRRQTJCTPY-CQSZACIVSA-N 1 0 250.386 2.189 20 70 CEIDRO CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)c1c(C)noc1C ZINC000160413837 367003623 /nfs/dbraw/zinc/00/36/23/367003623.db2.gz LIBIKWOALPRIJB-TZMCWYRMSA-N 1 0 281.400 2.445 20 70 CEIDRO CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)c1c(C)noc1C ZINC000160413955 367004055 /nfs/dbraw/zinc/00/40/55/367004055.db2.gz LIBIKWOALPRIJB-JSGCOSHPSA-N 1 0 281.400 2.445 20 70 CEIDRO CCOc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)ncn1 ZINC000160427830 367005571 /nfs/dbraw/zinc/00/55/71/367005571.db2.gz VPIYYAOEQNRYBO-CQSZACIVSA-N 1 0 290.411 2.330 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccccc1OC ZINC000160467419 367007277 /nfs/dbraw/zinc/00/72/77/367007277.db2.gz VDVHDJGWTVHRMM-ZHACJKMWSA-N 1 0 276.380 2.342 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)NC1(c2cccc(F)c2)CC1 ZINC000160525136 367013160 /nfs/dbraw/zinc/01/31/60/367013160.db2.gz WQQACSAHXJKEDF-ZDUSSCGKSA-N 1 0 262.328 2.073 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000160665011 367024893 /nfs/dbraw/zinc/02/48/93/367024893.db2.gz HRSODIYHUBFIHW-XUIVZRPNSA-N 1 0 287.388 2.130 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000160553902 367016380 /nfs/dbraw/zinc/01/63/80/367016380.db2.gz MUZMTVQAAMDKAV-CHWSQXEVSA-N 1 0 278.396 2.161 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972869 367047022 /nfs/dbraw/zinc/04/70/22/367047022.db2.gz IEEHCFJZLWXWGA-CABCVRRESA-N 1 0 292.423 2.117 20 70 CEIDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)C(N)=O ZINC000161007471 367049773 /nfs/dbraw/zinc/04/97/73/367049773.db2.gz CLMLBTFRKRGPSP-NWDGAFQWSA-N 1 0 256.296 2.269 20 70 CEIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Cc1cccs1 ZINC000161095941 367056616 /nfs/dbraw/zinc/05/66/16/367056616.db2.gz NOSYIKJBMCBZLW-NEPJUHHUSA-N 1 0 266.410 2.185 20 70 CEIDRO CC[C@@H](C(=O)N[C@H](C)COc1cccc(C)c1)[NH+](C)C ZINC000161109289 367058250 /nfs/dbraw/zinc/05/82/50/367058250.db2.gz WZVIXNMYFSUPDW-HIFRSBDPSA-N 1 0 278.396 2.219 20 70 CEIDRO C[C@@H](CNC(=O)CC1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161124169 367059841 /nfs/dbraw/zinc/05/98/41/367059841.db2.gz KEVFFTFEFPVGOF-LBPRGKRZSA-N 1 0 294.370 2.099 20 70 CEIDRO CCCC[C@H](COC)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000161164153 367064052 /nfs/dbraw/zinc/06/40/52/367064052.db2.gz QBFPSBRCYWWXFA-XGUBFFRZSA-N 1 0 282.428 2.229 20 70 CEIDRO CCc1nc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000161179565 367065316 /nfs/dbraw/zinc/06/53/16/367065316.db2.gz ZDTSSHNRVDHHKQ-CYBMUJFWSA-N 1 0 299.378 2.067 20 70 CEIDRO CO[C@H]1CCN(Cc2csc(C(C)C)n2)[C@@H](C[NH3+])C1 ZINC000161191204 367066607 /nfs/dbraw/zinc/06/66/07/367066607.db2.gz BIBMPIFGEICQIC-OLZOCXBDSA-N 1 0 283.441 2.205 20 70 CEIDRO C[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)C1CCOCC1 ZINC000161251174 367071776 /nfs/dbraw/zinc/07/17/76/367071776.db2.gz YOGMCBDMVVUDGM-VQCLRJIVSA-N 1 0 296.455 2.286 20 70 CEIDRO CC(C)[NH+]1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000160765347 367032613 /nfs/dbraw/zinc/03/26/13/367032613.db2.gz AHKGJGHBWXQRRC-UHFFFAOYSA-N 1 0 299.422 2.008 20 70 CEIDRO C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000161404409 367083562 /nfs/dbraw/zinc/08/35/62/367083562.db2.gz IODYIUGUPWNOAL-UHFFFAOYSA-N 1 0 284.157 2.371 20 70 CEIDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416515 367085310 /nfs/dbraw/zinc/08/53/10/367085310.db2.gz LVSNZRRHCWWENS-JKSUJKDBSA-N 1 0 273.380 2.237 20 70 CEIDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1F ZINC000161460115 367087620 /nfs/dbraw/zinc/08/76/20/367087620.db2.gz OGGJOTPPHPZQTJ-ZIAGYGMSSA-N 1 0 276.355 2.491 20 70 CEIDRO Cn1cc(CC[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000218122598 370206013 /nfs/dbraw/zinc/20/60/13/370206013.db2.gz FUXQEUUCVYJMGC-UHFFFAOYSA-N 1 0 254.337 2.234 20 70 CEIDRO Cc1cccc(O[C@H](C)CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000161165625 249319859 /nfs/dbraw/zinc/31/98/59/249319859.db2.gz XNAUPOFYMDDUBH-CQSZACIVSA-N 1 0 290.407 2.398 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000159574562 395058594 /nfs/dbraw/zinc/05/85/94/395058594.db2.gz PRDNVYRPCVGRDE-CZUORRHYSA-N 1 0 260.381 2.365 20 70 CEIDRO COc1c(C)cnc(C[N@H+](C)C[C@@H]2CCCO2)c1C ZINC000160971026 395062732 /nfs/dbraw/zinc/06/27/32/395062732.db2.gz QRKBULUEUGYOCB-ZDUSSCGKSA-N 1 0 264.369 2.318 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000161182363 395063484 /nfs/dbraw/zinc/06/34/84/395063484.db2.gz WDFLAGBGGBCVFL-LOWVWBTDSA-N 1 0 264.394 2.039 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161397293 395064289 /nfs/dbraw/zinc/06/42/89/395064289.db2.gz DDBYELDTSRODCD-JSGCOSHPSA-N 1 0 276.380 2.388 20 70 CEIDRO CC[C@@H]1CO[C@H](C)CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000218365179 400308308 /nfs/dbraw/zinc/30/83/08/400308308.db2.gz ISYRXYHCZPIEHZ-BPLDGKMQSA-N 1 0 276.380 2.102 20 70 CEIDRO CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)C(C)C ZINC000217796493 153297638 /nfs/dbraw/zinc/29/76/38/153297638.db2.gz FHIIQBUFDKNAQV-ZMSDIMECSA-N 1 0 294.439 2.371 20 70 CEIDRO CC[C@@H](COC)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160141947 286850537 /nfs/dbraw/zinc/85/05/37/286850537.db2.gz BPTAXYAYGRTXFD-HNNXBMFYSA-N 1 0 268.376 2.272 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)NC1(c2ccccc2F)CC1 ZINC000159760365 162313195 /nfs/dbraw/zinc/31/31/95/162313195.db2.gz AHFBJUDLLGLOBN-NSHDSACASA-N 1 0 262.328 2.073 20 70 CEIDRO CCOc1ccc(OCCN(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159987022 162318023 /nfs/dbraw/zinc/31/80/23/162318023.db2.gz BTTGVKZRJQIUAW-INIZCTEOSA-N 1 0 278.396 2.133 20 70 CEIDRO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159897228 162318450 /nfs/dbraw/zinc/31/84/50/162318450.db2.gz PDYOOCIPNLHDNX-HZMBPMFUSA-N 1 0 296.798 2.303 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000159982031 162319250 /nfs/dbraw/zinc/31/92/50/162319250.db2.gz ADWCDFPMWYKDPN-YDHLFZDLSA-N 1 0 290.407 2.255 20 70 CEIDRO CCOCCC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000159967053 162320558 /nfs/dbraw/zinc/32/05/58/162320558.db2.gz RFYVBTUDXVMXCY-CQSZACIVSA-N 1 0 284.444 2.286 20 70 CEIDRO COc1c(C[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)c(C)nn1C ZINC000160118499 162322700 /nfs/dbraw/zinc/32/27/00/162322700.db2.gz MPPFGCFSWUVSLZ-FRRDWIJNSA-N 1 0 261.369 2.039 20 70 CEIDRO Cc1ccccc1OCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160109451 162323235 /nfs/dbraw/zinc/32/32/35/162323235.db2.gz HKIYHYXSRDMPKK-MRXNPFEDSA-N 1 0 292.423 2.418 20 70 CEIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](CCO)CSC)c1 ZINC000160177462 162326358 /nfs/dbraw/zinc/32/63/58/162326358.db2.gz PVSUFDCBJJHHRZ-NWDGAFQWSA-N 1 0 299.436 2.468 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)CSC(C)(C)C)CC2 ZINC000160436517 162328519 /nfs/dbraw/zinc/32/85/19/162328519.db2.gz LFCZZPRKFQEZEU-ZYHUDNBSSA-N 1 0 282.457 2.411 20 70 CEIDRO Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000160324714 162328638 /nfs/dbraw/zinc/32/86/38/162328638.db2.gz VFVGEGQVHBNSGY-UTUOFQBUSA-N 1 0 264.394 2.110 20 70 CEIDRO CC1(C)C[C@H](NC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000161396896 275866435 /nfs/dbraw/zinc/86/64/35/275866435.db2.gz KCRHEDIGNDQNFH-JSGCOSHPSA-N 1 0 288.391 2.405 20 70 CEIDRO CC(C)[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000159574935 276027581 /nfs/dbraw/zinc/02/75/81/276027581.db2.gz PRDNVYRPCVGRDE-BBRMVZONSA-N 1 0 260.381 2.365 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000159678031 276162035 /nfs/dbraw/zinc/16/20/35/276162035.db2.gz FIRGHRQMHRXNKF-UONOGXRCSA-N 1 0 267.417 2.302 20 70 CEIDRO Cc1cccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCOC2=O)n1 ZINC000160145432 281256364 /nfs/dbraw/zinc/25/63/64/281256364.db2.gz ULKQGNZOPHNSMK-UKRRQHHQSA-N 1 0 274.364 2.480 20 70 CEIDRO CS[C@@H](C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000160034894 297432425 /nfs/dbraw/zinc/43/24/25/297432425.db2.gz KJDXRHVQIPUCJD-QWRGUYRKSA-N 1 0 275.462 2.013 20 70 CEIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000160913943 312643491 /nfs/dbraw/zinc/64/34/91/312643491.db2.gz FOWPDYBNXHWGLO-KGLIPLIRSA-N 1 0 279.428 2.349 20 70 CEIDRO CC[NH+]1CCC(CNC(=O)c2ccc(OC)cc2F)CC1 ZINC000218057882 329467099 /nfs/dbraw/zinc/46/70/99/329467099.db2.gz ARSFTNVNVWIKBL-UHFFFAOYSA-N 1 0 294.370 2.296 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000160960179 519708870 /nfs/dbraw/zinc/70/88/70/519708870.db2.gz MNFYDJLPCZFDKP-SNVBAGLBSA-N 1 0 266.410 2.412 20 70 CEIDRO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160328219 534196124 /nfs/dbraw/zinc/19/61/24/534196124.db2.gz UBEHJJWYFMLVQH-STQMWFEESA-N 1 0 278.421 2.365 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000161446768 519645782 /nfs/dbraw/zinc/64/57/82/519645782.db2.gz WVQCTYMRBAPSPR-UYSNPLJNSA-N 1 0 293.455 2.040 20 70 CEIDRO CCCCCCOCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161385134 520097116 /nfs/dbraw/zinc/09/71/16/520097116.db2.gz XDWBOXBJFQQKGK-YIONKMFJSA-N 1 0 282.428 2.325 20 70 CEIDRO CCC[N@H+](CCO)Cc1c[nH]nc1-c1cccs1 ZINC000161208303 521667589 /nfs/dbraw/zinc/66/75/89/521667589.db2.gz BGFONRZXCVTFQV-UHFFFAOYSA-N 1 0 265.382 2.343 20 70 CEIDRO CC[C@@H](COC)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160713387 522593965 /nfs/dbraw/zinc/59/39/65/522593965.db2.gz ZCSRORVYGWSITJ-NEPJUHHUSA-N 1 0 262.353 2.127 20 70 CEIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cccc(OC)c1 ZINC000160923438 522816763 /nfs/dbraw/zinc/81/67/63/522816763.db2.gz XARPZTMMGKYNNT-CQSZACIVSA-N 1 0 264.369 2.261 20 70 CEIDRO CC[C@H](C)C[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160610873 523901839 /nfs/dbraw/zinc/90/18/39/523901839.db2.gz YFKRGDWIKUETGR-JEJJNBGPSA-N 1 0 296.455 2.460 20 70 CEIDRO C[C@@H](C(=O)N(C)Cc1cccn1C)[NH+]1CCCCCC1 ZINC000160401055 524086293 /nfs/dbraw/zinc/08/62/93/524086293.db2.gz PUBKXMOYZJXEHB-AWEZNQCLSA-N 1 0 277.412 2.248 20 70 CEIDRO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160565873 526498077 /nfs/dbraw/zinc/49/80/77/526498077.db2.gz CLXZKWWIUZRUJD-STQMWFEESA-N 1 0 276.384 2.230 20 70 CEIDRO O=C(CSc1ccc(F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160550575 527034316 /nfs/dbraw/zinc/03/43/16/527034316.db2.gz CFWMLOCLZZIXEQ-BETUJISGSA-N 1 0 294.395 2.271 20 70 CEIDRO CC(C)(C[NH3+])C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159822188 527068569 /nfs/dbraw/zinc/06/85/69/527068569.db2.gz PXNMHFLETFYRNK-CQSZACIVSA-N 1 0 260.381 2.109 20 70 CEIDRO Cc1nccn1CCCC[N@@H+]1CCOC(C)(C)C1 ZINC000161403006 527394403 /nfs/dbraw/zinc/39/44/03/527394403.db2.gz MOGCLMYXPSZKSL-UHFFFAOYSA-N 1 0 251.374 2.083 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000160421800 574511478 /nfs/dbraw/zinc/51/14/78/574511478.db2.gz MVGFLKQDKKDCAJ-QWHCGFSZSA-N 1 0 270.417 2.215 20 70 CEIDRO OCC[N@H+](CCc1ccccc1)Cc1cnc2ccccn12 ZINC000160381353 539278789 /nfs/dbraw/zinc/27/87/89/539278789.db2.gz LQZAZNZUYUFJRH-UHFFFAOYSA-N 1 0 295.386 2.371 20 70 CEIDRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000159516908 344454916 /nfs/dbraw/zinc/45/49/16/344454916.db2.gz VEETXBAZOSTRQT-VXGBXAGGSA-N 1 0 266.410 2.310 20 70 CEIDRO CCc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)OC)c1 ZINC000160246438 344458283 /nfs/dbraw/zinc/45/82/83/344458283.db2.gz IGKQZODUYAZQHV-AWEZNQCLSA-N 1 0 281.396 2.003 20 70 CEIDRO CCC(CC)CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160583971 344459588 /nfs/dbraw/zinc/45/95/88/344459588.db2.gz WZXIVRCOYDFTAI-CQSZACIVSA-N 1 0 269.433 2.404 20 70 CEIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161505358 344464341 /nfs/dbraw/zinc/46/43/41/344464341.db2.gz ISHTTZUXZQARLW-OAHLLOKOSA-N 1 0 292.379 2.181 20 70 CEIDRO Cc1ccc(OCC(=O)NCC2([NH3+])CCCCC2)cc1C ZINC000159506644 232246774 /nfs/dbraw/zinc/24/67/74/232246774.db2.gz JSVVRCXYMOXUNH-UHFFFAOYSA-N 1 0 290.407 2.460 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)CSC(F)(F)F)CC1 ZINC000161022945 188503853 /nfs/dbraw/zinc/50/38/53/188503853.db2.gz TWEWNKJSJHETKH-UHFFFAOYSA-N 1 0 284.347 2.088 20 70 CEIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000161401976 188525465 /nfs/dbraw/zinc/52/54/65/188525465.db2.gz WUEXEUCBQXVASN-YPMHNXCESA-N 1 0 296.798 2.366 20 70 CEIDRO CCO[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)C12CCCC2 ZINC000159558377 540096421 /nfs/dbraw/zinc/09/64/21/540096421.db2.gz KJGYQEMRKUKQTO-OLZOCXBDSA-N 1 0 280.412 2.112 20 70 CEIDRO CCCn1nccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000160143825 540112407 /nfs/dbraw/zinc/11/24/07/540112407.db2.gz AMYTXRFQNBUHNF-OAHLLOKOSA-N 1 0 259.353 2.116 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000160964143 540128330 /nfs/dbraw/zinc/12/83/30/540128330.db2.gz ORUKRPRNQKYTDU-NXEZZACHSA-N 1 0 252.745 2.340 20 70 CEIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(F)cc1F ZINC000161041824 540131577 /nfs/dbraw/zinc/13/15/77/540131577.db2.gz DGUCUOKWELYSPO-UWVGGRQHSA-N 1 0 268.307 2.273 20 70 CEIDRO COc1cccc(SCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161322532 540136806 /nfs/dbraw/zinc/13/68/06/540136806.db2.gz MHEJRNPQVGEJFL-VXGBXAGGSA-N 1 0 294.420 2.173 20 70 CEIDRO CCOc1ccccc1CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161341172 540137119 /nfs/dbraw/zinc/13/71/19/540137119.db2.gz OICCXYYWNIACQU-GJZGRUSLSA-N 1 0 290.407 2.404 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(Br)c2)C1 ZINC000161179371 540135447 /nfs/dbraw/zinc/13/54/47/540135447.db2.gz UOLFFFWWXNIKCL-RYUDHWBXSA-N 1 0 297.196 2.449 20 70 CEIDRO CC[C@H](C)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000160517719 540616978 /nfs/dbraw/zinc/61/69/78/540616978.db2.gz IISPDMHGBRSZIU-ZDUSSCGKSA-N 1 0 253.390 2.008 20 70 CEIDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCS(C)(=O)=O ZINC000161370129 540804437 /nfs/dbraw/zinc/80/44/37/540804437.db2.gz IJDWIFZYGKCITD-OLZOCXBDSA-N 1 0 261.431 2.322 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159723032 366943301 /nfs/dbraw/zinc/94/33/01/366943301.db2.gz KDZGNNJRSBJNQY-KFWWJZLASA-N 1 0 260.381 2.422 20 70 CEIDRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000159722379 366943490 /nfs/dbraw/zinc/94/34/90/366943490.db2.gz CKDHHCYFXQHHPM-OWCLPIDISA-N 1 0 272.392 2.439 20 70 CEIDRO COCCN(C)CC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000159387193 366907408 /nfs/dbraw/zinc/90/74/08/366907408.db2.gz DKHYKXDUHATOAR-LSDHHAIUSA-N 1 0 294.439 2.355 20 70 CEIDRO COCCN(C)CC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000159372288 366907417 /nfs/dbraw/zinc/90/74/17/366907417.db2.gz KGVKWQOOPGDXLD-GFCCVEGCSA-N 1 0 282.453 2.466 20 70 CEIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cnccn1 ZINC000159374999 366907767 /nfs/dbraw/zinc/90/77/67/366907767.db2.gz LRXQGTFJFUUWBM-JSGCOSHPSA-N 1 0 251.374 2.314 20 70 CEIDRO CC(C)CC[C@](C)(O)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000159379514 366907970 /nfs/dbraw/zinc/90/79/70/366907970.db2.gz RXNYCJWZFPIKLF-HNNXBMFYSA-N 1 0 292.414 2.493 20 70 CEIDRO C/C(=C/C(=O)N1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000159393401 366909529 /nfs/dbraw/zinc/90/95/29/366909529.db2.gz JPHGCDXAFOEVPU-KHPPLWFESA-N 1 0 296.317 2.123 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1=O)CC2 ZINC000159496870 366918771 /nfs/dbraw/zinc/91/87/71/366918771.db2.gz CUHZEZJXNQWJFU-MRXNPFEDSA-N 1 0 288.391 2.285 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560328 366927346 /nfs/dbraw/zinc/92/73/46/366927346.db2.gz FJRPSCUIQPKWEN-CQSZACIVSA-N 1 0 273.380 2.262 20 70 CEIDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCOCC)C1 ZINC000159615369 366932404 /nfs/dbraw/zinc/93/24/04/366932404.db2.gz BGGKNLGOGFNUGH-LSDHHAIUSA-N 1 0 284.444 2.430 20 70 CEIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1(C2CC2)CCC1 ZINC000159628456 366934327 /nfs/dbraw/zinc/93/43/27/366934327.db2.gz RBMIOSBBUVVRGY-CYBMUJFWSA-N 1 0 291.439 2.350 20 70 CEIDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159800359 366949909 /nfs/dbraw/zinc/94/99/09/366949909.db2.gz XPCFSTGULRLSAB-CYBMUJFWSA-N 1 0 279.428 2.208 20 70 CEIDRO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159822854 366950711 /nfs/dbraw/zinc/95/07/11/366950711.db2.gz SJHJCUZABKZNCC-LSDHHAIUSA-N 1 0 274.408 2.497 20 70 CEIDRO C[C@@H](CNC(=O)NCC1(C2CC2)CCC1)[N@H+](C)C1CC1 ZINC000159862098 366954608 /nfs/dbraw/zinc/95/46/08/366954608.db2.gz OBESVQQNIRCMHP-LBPRGKRZSA-N 1 0 279.428 2.349 20 70 CEIDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000159925508 366959650 /nfs/dbraw/zinc/95/96/50/366959650.db2.gz LJMMEFLOTIWLQJ-HIFRSBDPSA-N 1 0 292.379 2.102 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000160168133 366979306 /nfs/dbraw/zinc/97/93/06/366979306.db2.gz IFTCSPICBJGJMI-GFCCVEGCSA-N 1 0 282.771 2.059 20 70 CEIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000160342263 366997076 /nfs/dbraw/zinc/99/70/76/366997076.db2.gz SBIQXJSRTVLHGP-INIZCTEOSA-N 1 0 281.359 2.198 20 70 CEIDRO CCCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1 ZINC000160185636 366981439 /nfs/dbraw/zinc/98/14/39/366981439.db2.gz XIKJBTKFVRMVIB-GOEBONIOSA-N 1 0 290.407 2.365 20 70 CEIDRO C[C@H]1CCc2sc(C(=O)N3CC[C@@H]([NH3+])C3)cc2C1 ZINC000160206765 366982229 /nfs/dbraw/zinc/98/22/29/366982229.db2.gz YGNJOGLKBCPACM-GXSJLCMTSA-N 1 0 264.394 2.046 20 70 CEIDRO C[NH+](C)CC(C)(C)CNC(=O)N1CCCCCC1 ZINC000160321552 366994661 /nfs/dbraw/zinc/99/46/61/366994661.db2.gz IXWJBFMKTSQLHU-UHFFFAOYSA-N 1 0 255.406 2.160 20 70 CEIDRO COc1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1F ZINC000160351059 366997888 /nfs/dbraw/zinc/99/78/88/366997888.db2.gz YBXGZRSOZDBBLU-AWEZNQCLSA-N 1 0 266.316 2.163 20 70 CEIDRO COC[C@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000160571339 367018713 /nfs/dbraw/zinc/01/87/13/367018713.db2.gz UKELGVRSIHVRLQ-SECBINFHSA-N 1 0 273.174 2.216 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccccc1OC ZINC000160430264 367005555 /nfs/dbraw/zinc/00/55/55/367005555.db2.gz FBEHUMKKPGERIY-UHFFFAOYSA-N 1 0 278.396 2.262 20 70 CEIDRO C[NH+](C)[C@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000160650769 367024528 /nfs/dbraw/zinc/02/45/28/367024528.db2.gz QPLCTMKGSBNPEX-ZDUSSCGKSA-N 1 0 253.390 2.008 20 70 CEIDRO CCOCCC[NH2+]Cc1cncc(Br)c1 ZINC000160559402 367017150 /nfs/dbraw/zinc/01/71/50/367017150.db2.gz DYOXVMHHROBOHG-UHFFFAOYSA-N 1 0 273.174 2.360 20 70 CEIDRO Cc1ccnc(-c2ccc(NC(=O)[C@H]([NH3+])C(C)C)cc2)n1 ZINC000160878797 367039867 /nfs/dbraw/zinc/03/98/67/367039867.db2.gz ZQMZDACOWSSGLV-CQSZACIVSA-N 1 0 284.363 2.374 20 70 CEIDRO C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CCN1C ZINC000160945029 367045834 /nfs/dbraw/zinc/04/58/34/367045834.db2.gz NSWKAZJYGRAFQW-NUEKZKHPSA-N 1 0 262.397 2.182 20 70 CEIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cnn(C)c1 ZINC000161018527 367049626 /nfs/dbraw/zinc/04/96/26/367049626.db2.gz KNFJHIFUPVUOLM-SWLSCSKDSA-N 1 0 259.353 2.194 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000161075586 367052829 /nfs/dbraw/zinc/05/28/29/367052829.db2.gz SYVDJQOMPSMKHL-UKRRQHHQSA-N 1 0 252.402 2.271 20 70 CEIDRO C[C@H](CNC(=O)C(C)(C)C[NH3+])Sc1ccccc1 ZINC000161117560 367059072 /nfs/dbraw/zinc/05/90/72/367059072.db2.gz YQMFTGZOYLAJTC-LLVKDONJSA-N 1 0 266.410 2.268 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000161138831 367060902 /nfs/dbraw/zinc/06/09/02/367060902.db2.gz MZBIQQYBIDSOEZ-SNVBAGLBSA-N 1 0 277.393 2.454 20 70 CEIDRO CCc1ccc(CC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161290132 367075874 /nfs/dbraw/zinc/07/58/74/367075874.db2.gz XLXRRFNVTKZUDH-OAHLLOKOSA-N 1 0 260.381 2.002 20 70 CEIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000161307338 367076388 /nfs/dbraw/zinc/07/63/88/367076388.db2.gz MSYPYSUKAQNHHO-CYBMUJFWSA-N 1 0 293.415 2.097 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000160665139 367025767 /nfs/dbraw/zinc/02/57/67/367025767.db2.gz HRSODIYHUBFIHW-MLRMMBSGSA-N 1 0 287.388 2.130 20 70 CEIDRO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000217646711 370198306 /nfs/dbraw/zinc/19/83/06/370198306.db2.gz MNPPPINGIRWAMS-KGLIPLIRSA-N 1 0 276.380 2.117 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000217851446 370201050 /nfs/dbraw/zinc/20/10/50/370201050.db2.gz SKTJEDWXENQLBX-HNNXBMFYSA-N 1 0 291.420 2.076 20 70 CEIDRO Cn1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)n1 ZINC000218127592 370204946 /nfs/dbraw/zinc/20/49/46/370204946.db2.gz YWVTYFTWXUMVCK-UHFFFAOYSA-N 1 0 270.380 2.179 20 70 CEIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000161174846 249319678 /nfs/dbraw/zinc/31/96/78/249319678.db2.gz AVEUVRVTGAYAPO-RDBSUJKOSA-N 1 0 282.428 2.086 20 70 CEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C1(C)C ZINC000160502471 286324469 /nfs/dbraw/zinc/32/44/69/286324469.db2.gz LHBAFIYJLFWEOT-QJPTWQEYSA-N 1 0 270.417 2.022 20 70 CEIDRO CC(C)(C)n1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000218134358 153302806 /nfs/dbraw/zinc/30/28/06/153302806.db2.gz TVKNKQGNMSEUIX-GJZGRUSLSA-N 1 0 276.428 2.355 20 70 CEIDRO CN(C(=O)CCCc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000159794975 162315701 /nfs/dbraw/zinc/31/57/01/162315701.db2.gz CXUJYBHNQDMZEK-HNNXBMFYSA-N 1 0 260.381 2.205 20 70 CEIDRO CC[C@@]1(C)C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159809602 162317264 /nfs/dbraw/zinc/31/72/64/162317264.db2.gz SREPCSQZHHOAMC-ZBFHGGJFSA-N 1 0 264.413 2.413 20 70 CEIDRO CC[C@@H](COC)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000159934966 162319379 /nfs/dbraw/zinc/31/93/79/162319379.db2.gz GOQSLMSODOPXHK-HIFRSBDPSA-N 1 0 262.397 2.452 20 70 CEIDRO CSc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160090388 162322123 /nfs/dbraw/zinc/32/21/23/162322123.db2.gz BVWTWDIAXYJNHE-BETUJISGSA-N 1 0 276.405 2.375 20 70 CEIDRO CO[C@]1(C[NH2+]Cc2cccc(C3CC3)c2)CCOC1 ZINC000160084368 162324192 /nfs/dbraw/zinc/32/41/92/162324192.db2.gz KIDHHAJEESHSQH-INIZCTEOSA-N 1 0 261.365 2.459 20 70 CEIDRO Cc1ccc(F)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160310109 165033527 /nfs/dbraw/zinc/03/35/27/165033527.db2.gz DNQXLGVHMZYUQT-TXEJJXNPSA-N 1 0 262.328 2.101 20 70 CEIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000161089329 287393934 /nfs/dbraw/zinc/39/39/34/287393934.db2.gz KWVLVJISVDVVCD-CZUORRHYSA-N 1 0 284.444 2.022 20 70 CEIDRO CC(C)C[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000161475834 275917706 /nfs/dbraw/zinc/91/77/06/275917706.db2.gz VIHCFDJAAYPDFC-ZIAGYGMSSA-N 1 0 252.402 2.413 20 70 CEIDRO CCS[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000159767389 276395796 /nfs/dbraw/zinc/39/57/96/276395796.db2.gz BAOGIZUBUVXOOR-NEPJUHHUSA-N 1 0 290.498 2.201 20 70 CEIDRO CO[C@]1(C[NH2+][C@H](C)CCc2ccc(O)cc2)CCOC1 ZINC000160140197 277779120 /nfs/dbraw/zinc/77/91/20/277779120.db2.gz USQBSGLGKRHQAA-CJNGLKHVSA-N 1 0 279.380 2.108 20 70 CEIDRO CC[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000161055561 280095917 /nfs/dbraw/zinc/09/59/17/280095917.db2.gz UJUBUZRNVTUHOJ-GJZGRUSLSA-N 1 0 254.418 2.362 20 70 CEIDRO [NH3+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000217535801 280209392 /nfs/dbraw/zinc/20/93/92/280209392.db2.gz NWADHPNZXQJSEP-DMTLFAOVSA-N 1 0 262.328 2.036 20 70 CEIDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160957042 281091506 /nfs/dbraw/zinc/09/15/06/281091506.db2.gz CWHHTUOAFYPUSK-AWEZNQCLSA-N 1 0 276.380 2.323 20 70 CEIDRO CN1CC[N@H+](C[C@@H](O)C(C)(C)C)[C@H](c2ccccc2)C1 ZINC000216891387 290044641 /nfs/dbraw/zinc/04/46/41/290044641.db2.gz GTGNNHCMACTSGY-JKSUJKDBSA-N 1 0 276.424 2.382 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000159397704 297428608 /nfs/dbraw/zinc/42/86/08/297428608.db2.gz UUZXSBUDMCJKNS-GFCCVEGCSA-N 1 0 287.425 2.030 20 70 CEIDRO C[NH+](C)Cc1ccc(C(=O)N2CCCSCC2)cc1 ZINC000160351759 297435893 /nfs/dbraw/zinc/43/58/93/297435893.db2.gz HQOHSATUOZJHOY-UHFFFAOYSA-N 1 0 278.421 2.327 20 70 CEIDRO CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCOC(C)(C)C2)CC1 ZINC000161249101 297443041 /nfs/dbraw/zinc/44/30/41/297443041.db2.gz JLMJIWSUOKXUIS-CQSZACIVSA-N 1 0 297.443 2.116 20 70 CEIDRO COCC[C@@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161466760 297445600 /nfs/dbraw/zinc/44/56/00/297445600.db2.gz QDSMHOCGJFHQLG-CQSZACIVSA-N 1 0 299.459 2.175 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000161177030 312644090 /nfs/dbraw/zinc/64/40/90/312644090.db2.gz BJWMAXUXNNOJLS-DZGCQCFKSA-N 1 0 284.444 2.332 20 70 CEIDRO CCOC[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160569307 520075794 /nfs/dbraw/zinc/07/57/94/520075794.db2.gz NOHNXILYAUHSDA-SECBINFHSA-N 1 0 273.174 2.359 20 70 CEIDRO CCC[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000161446333 521205437 /nfs/dbraw/zinc/20/54/37/521205437.db2.gz PHUSDZMJMRTTNS-AWEZNQCLSA-N 1 0 252.402 2.415 20 70 CEIDRO CCOCCC1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC000160422823 521688105 /nfs/dbraw/zinc/68/81/05/521688105.db2.gz BIRRNAOQLXFLMC-CQSZACIVSA-N 1 0 284.444 2.286 20 70 CEIDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783384 522619448 /nfs/dbraw/zinc/61/94/48/522619448.db2.gz KGLNMYJTJGQGJF-LEWSCRJBSA-N 1 0 298.333 2.038 20 70 CEIDRO CCn1cc([C@H](C)[NH2+]C[C@@H]2CCCCN2CC)cn1 ZINC000161189595 523472143 /nfs/dbraw/zinc/47/21/43/523472143.db2.gz RIMQPLSKJSXPKP-ZFWWWQNUSA-N 1 0 264.417 2.428 20 70 CEIDRO C[C@H]1CCC[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000161157371 524126338 /nfs/dbraw/zinc/12/63/38/524126338.db2.gz RUKIWPHPVVPQGY-YUTCNCBUSA-N 1 0 252.402 2.269 20 70 CEIDRO Cc1cccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160563880 524771343 /nfs/dbraw/zinc/77/13/43/524771343.db2.gz HTOIUSAKQJIPGS-SOUVJXGZSA-N 1 0 288.391 2.115 20 70 CEIDRO COc1cccc(CCC[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000160449554 525886282 /nfs/dbraw/zinc/88/62/82/525886282.db2.gz MPQFRSGHHRJHAV-INIZCTEOSA-N 1 0 290.407 2.084 20 70 CEIDRO O=C(c1cccc(F)c1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160523246 526765485 /nfs/dbraw/zinc/76/54/85/526765485.db2.gz WPXKSHZTHXWXKO-AOOOYVTPSA-N 1 0 282.746 2.446 20 70 CEIDRO CCCNC(=O)CN(CCC)CCC[NH+]1CCCCC1 ZINC000160636572 528384731 /nfs/dbraw/zinc/38/47/31/528384731.db2.gz ZRKZZPURWXVPMY-UHFFFAOYSA-N 1 0 283.460 2.101 20 70 CEIDRO CCN(c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1)C(C)C ZINC000160355743 528929140 /nfs/dbraw/zinc/92/91/40/528929140.db2.gz ZVDSRYOIXHTYRP-INIZCTEOSA-N 1 0 289.423 2.485 20 70 CEIDRO CCCn1nccc1CNC[C@H](C)C[NH+]1CCCC1 ZINC000160142696 539273394 /nfs/dbraw/zinc/27/33/94/539273394.db2.gz WTZILNSKTIWCJD-AWEZNQCLSA-N 1 0 264.417 2.115 20 70 CEIDRO Cc1ncccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159588363 539278051 /nfs/dbraw/zinc/27/80/51/539278051.db2.gz VKUDBNRKAQNKCF-KFWWJZLASA-N 1 0 258.365 2.437 20 70 CEIDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000159495606 344455015 /nfs/dbraw/zinc/45/50/15/344455015.db2.gz SLMSVFPIGYACHE-DGCLKSJQSA-N 1 0 278.421 2.452 20 70 CEIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000160657500 344460673 /nfs/dbraw/zinc/46/06/73/344460673.db2.gz RESALKZPDKJNEL-AWEZNQCLSA-N 1 0 279.428 2.445 20 70 CEIDRO CC[N@H+](CCNCc1nn(C)c2ccccc12)C1CC1 ZINC000218181243 344536274 /nfs/dbraw/zinc/53/62/74/344536274.db2.gz NTVOFLHPPKWFGT-UHFFFAOYSA-N 1 0 272.396 2.147 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000159384514 232247234 /nfs/dbraw/zinc/24/72/34/232247234.db2.gz WQGCWNRHSKCDPD-KWBADKCTSA-N 1 0 280.318 2.079 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)C(C)C)CC2 ZINC000159559679 188431881 /nfs/dbraw/zinc/43/18/81/188431881.db2.gz XACXYGGZCJNOHT-GDBMZVCRSA-N 1 0 263.381 2.159 20 70 CEIDRO C[NH2+]C[C@@H]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160197760 188459483 /nfs/dbraw/zinc/45/94/83/188459483.db2.gz GOQGZLYTOUUNJE-MGWQBKBZSA-N 1 0 276.424 2.127 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)nc1 ZINC000160377538 188468687 /nfs/dbraw/zinc/46/86/87/188468687.db2.gz HONBMEJGIPDECO-AWEZNQCLSA-N 1 0 297.358 2.437 20 70 CEIDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)NC(C)C)C(C)C ZINC000160995669 188501458 /nfs/dbraw/zinc/50/14/58/188501458.db2.gz JBQJOLTVGDJLMD-OAHLLOKOSA-N 1 0 292.423 2.377 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(CC(C)C)n1 ZINC000161315159 188522022 /nfs/dbraw/zinc/52/20/22/188522022.db2.gz IWFPQRLFTKSXCS-NSHDSACASA-N 1 0 281.425 2.166 20 70 CEIDRO CCCn1nccc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000159975641 540109118 /nfs/dbraw/zinc/10/91/18/540109118.db2.gz YGWYUFPDNPYWJE-AWEZNQCLSA-N 1 0 276.384 2.279 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159646148 540100885 /nfs/dbraw/zinc/10/08/85/540100885.db2.gz XGUSFOWXOKSSMT-KRWDZBQOSA-N 1 0 290.407 2.149 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000160918817 540127483 /nfs/dbraw/zinc/12/74/83/540127483.db2.gz FKTCRYUIXODKHM-ZJUUUORDSA-N 1 0 296.754 2.068 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000161314319 540136354 /nfs/dbraw/zinc/13/63/54/540136354.db2.gz NARNBTKQCUTGQQ-ZJUUUORDSA-N 1 0 290.392 2.138 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000161312432 540136571 /nfs/dbraw/zinc/13/65/71/540136571.db2.gz RZFCAOOCIWNYIK-CABCVRRESA-N 1 0 260.381 2.395 20 70 CEIDRO CCC[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000161445920 540138243 /nfs/dbraw/zinc/13/82/43/540138243.db2.gz VYIAQSOFJONHAN-LLVKDONJSA-N 1 0 250.342 2.391 20 70 CEIDRO Cc1nc(CCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000161195384 540135107 /nfs/dbraw/zinc/13/51/07/540135107.db2.gz WFOSTWQHFOFART-NEPJUHHUSA-N 1 0 281.425 2.160 20 70 CEIDRO CC[C@@H](C(=O)NC1CCC(OC(C)C)CC1)[NH+](C)C ZINC000159572342 540416322 /nfs/dbraw/zinc/41/63/22/540416322.db2.gz KUSPHTFFEVYRHE-RUXDESIVSA-N 1 0 270.417 2.179 20 70 CEIDRO CC(C)(C[NH3+])NC(=O)CC1C2CC3CC(C2)CC1C3 ZINC000216949986 540443764 /nfs/dbraw/zinc/44/37/64/540443764.db2.gz BKFUGJPVUVKBNR-UHFFFAOYSA-N 1 0 264.413 2.302 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccccc1Cl ZINC000160267477 283507765 /nfs/dbraw/zinc/50/77/65/283507765.db2.gz CSVBLIDWGUJCCZ-SNVBAGLBSA-N 1 0 284.812 2.382 20 70 CEIDRO [NH3+]CCCCCCC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159690631 366940252 /nfs/dbraw/zinc/94/02/52/366940252.db2.gz AZYBVZYDRIBBTA-UHFFFAOYSA-N 1 0 292.305 2.293 20 70 CEIDRO CC[NH+](CC)CCCNC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000159697466 366940387 /nfs/dbraw/zinc/94/03/87/366940387.db2.gz WRXALPIJBBVCIT-UONOGXRCSA-N 1 0 269.433 2.406 20 70 CEIDRO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000159722232 366943306 /nfs/dbraw/zinc/94/33/06/366943306.db2.gz CKDHHCYFXQHHPM-OAGGEKHMSA-N 1 0 272.392 2.439 20 70 CEIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cnccn1 ZINC000159375419 366907626 /nfs/dbraw/zinc/90/76/26/366907626.db2.gz LRXQGTFJFUUWBM-TZMCWYRMSA-N 1 0 251.374 2.314 20 70 CEIDRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000159422925 366911523 /nfs/dbraw/zinc/91/15/23/366911523.db2.gz CWGNWPFULDJERG-CAOSSQGBSA-N 1 0 296.455 2.428 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000159769830 366946016 /nfs/dbraw/zinc/94/60/16/366946016.db2.gz MLZZXMKOIOJEMT-ZDUSSCGKSA-N 1 0 269.433 2.452 20 70 CEIDRO C[C@H](CO)[N@H+](C)Cc1cccc(Br)c1 ZINC000159459068 366916934 /nfs/dbraw/zinc/91/69/34/366916934.db2.gz JOSMNRDKVRXXRV-SECBINFHSA-N 1 0 258.159 2.262 20 70 CEIDRO CC[NH+](CC)CC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159573755 366926932 /nfs/dbraw/zinc/92/69/32/366926932.db2.gz KHABZGMUVJNQHP-UHFFFAOYSA-N 1 0 273.380 2.168 20 70 CEIDRO CC[C@@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159618190 366932773 /nfs/dbraw/zinc/93/27/73/366932773.db2.gz GKVKGDVWBXCDSU-DOMZBBRYSA-N 1 0 258.365 2.132 20 70 CEIDRO Cc1ccsc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159632535 366934617 /nfs/dbraw/zinc/93/46/17/366934617.db2.gz DUEOIZFEEWVJRE-WDEREUQCSA-N 1 0 252.383 2.142 20 70 CEIDRO NC(=O)CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000159839513 366953627 /nfs/dbraw/zinc/95/36/27/366953627.db2.gz ZASOSUFFWGJITE-UHFFFAOYSA-N 1 0 271.364 2.255 20 70 CEIDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000159925796 366959064 /nfs/dbraw/zinc/95/90/64/366959064.db2.gz LJMMEFLOTIWLQJ-UKRRQHHQSA-N 1 0 292.379 2.102 20 70 CEIDRO C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000159999307 366964369 /nfs/dbraw/zinc/96/43/69/366964369.db2.gz LKZQGULGSLKINL-GXTWGEPZSA-N 1 0 291.439 2.491 20 70 CEIDRO [NH3+]CCCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160085191 366971939 /nfs/dbraw/zinc/97/19/39/366971939.db2.gz LWQJEPOGHNAIKW-NEPJUHHUSA-N 1 0 286.297 2.274 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108497 366974746 /nfs/dbraw/zinc/97/47/46/366974746.db2.gz GOMOXSPGFWWIFD-HNNXBMFYSA-N 1 0 292.423 2.462 20 70 CEIDRO Cc1ccccc1SCC(=O)N1CCC[C@H]1C[NH3+] ZINC000160190759 366980606 /nfs/dbraw/zinc/98/06/06/366980606.db2.gz SWFSOJLQEFVOQM-LBPRGKRZSA-N 1 0 264.394 2.037 20 70 CEIDRO CCNC(=O)c1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000160194200 366980702 /nfs/dbraw/zinc/98/07/02/366980702.db2.gz BTXAXRIUOWCXQJ-OAHLLOKOSA-N 1 0 278.396 2.197 20 70 CEIDRO CCOc1ccccc1OCCN(C)[C@@H](C[NH3+])C1CC1 ZINC000160072216 366970670 /nfs/dbraw/zinc/97/06/70/366970670.db2.gz IFXNNWILSHZPAD-AWEZNQCLSA-N 1 0 278.396 2.133 20 70 CEIDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160413328 367004275 /nfs/dbraw/zinc/00/42/75/367004275.db2.gz XVVOWBZFHNQOAK-DGCLKSJQSA-N 1 0 286.379 2.261 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000160457553 367007471 /nfs/dbraw/zinc/00/74/71/367007471.db2.gz REKQELVBHMTUDA-UHFFFAOYSA-N 1 0 295.358 2.031 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(-n2cccn2)cc1 ZINC000160453700 367007856 /nfs/dbraw/zinc/00/78/56/367007856.db2.gz VHLZGEXZTTXCTD-UHFFFAOYSA-N 1 0 286.379 2.120 20 70 CEIDRO CCc1cc(=O)[nH]c(CN(C)Cc2ccc(C)o2)n1 ZINC000160527230 367013632 /nfs/dbraw/zinc/01/36/32/367013632.db2.gz DZJDXPFOBCEBPP-UHFFFAOYSA-N 1 0 261.325 2.278 20 70 CEIDRO O=C(NC1(c2cccc(Cl)c2)CC1)[C@H]1CC[NH2+]C1 ZINC000160523557 367013792 /nfs/dbraw/zinc/01/37/92/367013792.db2.gz REVJTTJBWNMBGI-JTQLQIEISA-N 1 0 264.756 2.055 20 70 CEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000160527800 367013852 /nfs/dbraw/zinc/01/38/52/367013852.db2.gz OYMDTMOQCBLABW-RYUDHWBXSA-N 1 0 285.432 2.367 20 70 CEIDRO C[C@H]([NH3+])C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000161129860 367058994 /nfs/dbraw/zinc/05/89/94/367058994.db2.gz LHZHSDKOZLAGHT-LURJTMIESA-N 1 0 278.299 2.469 20 70 CEIDRO C[NH2+]CCNCc1ccc(Br)c(Cl)c1 ZINC000161239087 367069991 /nfs/dbraw/zinc/06/99/91/367069991.db2.gz OWWUAPGOFZFSEY-UHFFFAOYSA-N 1 0 277.593 2.412 20 70 CEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C(CC)(CC)C[NH3+])C1(C)C ZINC000161241002 367071327 /nfs/dbraw/zinc/07/13/27/367071327.db2.gz LWWOENCYZZLXAP-QWHCGFSZSA-N 1 0 284.444 2.414 20 70 CEIDRO CCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161277003 367074752 /nfs/dbraw/zinc/07/47/52/367074752.db2.gz SFYPUUMGAWWXST-ZDUSSCGKSA-N 1 0 290.411 2.268 20 70 CEIDRO CCC(CC)c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)on1 ZINC000161303730 367075725 /nfs/dbraw/zinc/07/57/25/367075725.db2.gz DKSPHNYDIWPJSF-NSHDSACASA-N 1 0 279.384 2.260 20 70 CEIDRO CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160706101 367028875 /nfs/dbraw/zinc/02/88/75/367028875.db2.gz JTCFOKLNTIQXLB-ZIAGYGMSSA-N 1 0 290.407 2.399 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161440588 367086331 /nfs/dbraw/zinc/08/63/31/367086331.db2.gz GFWLOSBUHCBQFJ-KBPBESRZSA-N 1 0 288.391 2.011 20 70 CEIDRO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)C1CC1 ZINC000161490472 367090994 /nfs/dbraw/zinc/09/09/94/367090994.db2.gz WHJPJCFNXVNNPR-ABAIWWIYSA-N 1 0 296.436 2.434 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccccc1OC(F)F ZINC000217859650 370200886 /nfs/dbraw/zinc/20/08/86/370200886.db2.gz QWWWBPUVKIZWOR-ZDUSSCGKSA-N 1 0 291.363 2.492 20 70 CEIDRO CCCOc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000161211716 249319909 /nfs/dbraw/zinc/31/99/09/249319909.db2.gz LEWKIXNHEYVPEV-INIZCTEOSA-N 1 0 290.407 2.228 20 70 CEIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000159685107 533226213 /nfs/dbraw/zinc/22/62/13/533226213.db2.gz MHOCFVMXPPYVPH-RTXFEEFZSA-N 1 0 264.394 2.205 20 70 CEIDRO C[C@@H](O)CN(C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000159426823 395058573 /nfs/dbraw/zinc/05/85/73/395058573.db2.gz WKZANXNDHZELQC-ZBFHGGJFSA-N 1 0 290.407 2.053 20 70 CEIDRO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc2C1 ZINC000160119933 395059688 /nfs/dbraw/zinc/05/96/88/395059688.db2.gz JFRWOARFSBCWPH-HZPDHXFCSA-N 1 0 272.392 2.002 20 70 CEIDRO CC[NH+](CC)CCCNC(=O)NCC1CCCC1 ZINC000217569865 153299242 /nfs/dbraw/zinc/29/92/42/153299242.db2.gz CETZITJUNVOCTO-UHFFFAOYSA-N 1 0 255.406 2.208 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000159389698 292426681 /nfs/dbraw/zinc/42/66/81/292426681.db2.gz WUSYJEHILYXNFH-OAHLLOKOSA-N 1 0 278.396 2.068 20 70 CEIDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000159728161 162311982 /nfs/dbraw/zinc/31/19/82/162311982.db2.gz IDRKLMDAXSWMHU-HNNXBMFYSA-N 1 0 252.402 2.415 20 70 CEIDRO COc1cc(OC)nc(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000159770261 162313669 /nfs/dbraw/zinc/31/36/69/162313669.db2.gz WDFCTXKYFCCNHC-LBPRGKRZSA-N 1 0 294.399 2.170 20 70 CEIDRO COC(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)OC ZINC000160445224 277460338 /nfs/dbraw/zinc/46/03/38/277460338.db2.gz OWDAPYVKIJSOQA-INIZCTEOSA-N 1 0 279.380 2.051 20 70 CEIDRO CCCCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160180464 278717682 /nfs/dbraw/zinc/71/76/82/278717682.db2.gz FJDYXULZUSOYOP-CQSZACIVSA-N 1 0 288.457 2.067 20 70 CEIDRO [NH3+]C1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)CCCCC1 ZINC000159488638 279616578 /nfs/dbraw/zinc/61/65/78/279616578.db2.gz HECNZPXJJLILIH-PBWFPOADSA-N 1 0 292.423 2.160 20 70 CEIDRO O=C(C1CCCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159492096 303559029 /nfs/dbraw/zinc/55/90/29/303559029.db2.gz GMGCGZWNHBCEQE-OKILXGFUSA-N 1 0 250.386 2.310 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000161433230 303642207 /nfs/dbraw/zinc/64/22/07/303642207.db2.gz BZLPJWXBFMRXET-RWMBFGLXSA-N 1 0 268.426 2.015 20 70 CEIDRO COc1cc2c(cc1C[NH2+][C@@]1(C)CCOC1)O[C@H](C)C2 ZINC000160183908 312637101 /nfs/dbraw/zinc/63/71/01/312637101.db2.gz MFRPQLWMGKJICS-BZNIZROVSA-N 1 0 277.364 2.287 20 70 CEIDRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000160215683 312637700 /nfs/dbraw/zinc/63/77/00/312637700.db2.gz OOVBYPIWTWZFEU-HNNXBMFYSA-N 1 0 296.455 2.287 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000160228765 312637981 /nfs/dbraw/zinc/63/79/81/312637981.db2.gz NBCLXJKYIDBXEO-AWEZNQCLSA-N 1 0 281.396 2.058 20 70 CEIDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCOCC)C1 ZINC000159615734 520678334 /nfs/dbraw/zinc/67/83/34/520678334.db2.gz BGGKNLGOGFNUGH-CABCVRRESA-N 1 0 284.444 2.430 20 70 CEIDRO CCC[C@](C)(NCCC[NH+]1CCCCC1)C(=O)OC ZINC000161364115 521284339 /nfs/dbraw/zinc/28/43/39/521284339.db2.gz JHPMEPDNICKOIM-HNNXBMFYSA-N 1 0 270.417 2.184 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NCC[NH+]2CCCCC2)on1 ZINC000160573141 522419694 /nfs/dbraw/zinc/41/96/94/522419694.db2.gz CPRSQVMZMYWXIE-GFCCVEGCSA-N 1 0 279.384 2.404 20 70 CEIDRO C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616530 525411379 /nfs/dbraw/zinc/41/13/79/525411379.db2.gz WTIIBCWKXJNAMM-NWDGAFQWSA-N 1 0 284.363 2.197 20 70 CEIDRO C[C@@H]([NH2+]CCOCCOc1ccccc1)c1cnn(C)c1 ZINC000160742085 525453859 /nfs/dbraw/zinc/45/38/59/525453859.db2.gz RCWHVSURIPQRSZ-CQSZACIVSA-N 1 0 289.379 2.166 20 70 CEIDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161195513 526089496 /nfs/dbraw/zinc/08/94/96/526089496.db2.gz SITWYZKQMYFQCR-CQSZACIVSA-N 1 0 290.407 2.053 20 70 CEIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)cc(F)cc1F ZINC000161330833 526612846 /nfs/dbraw/zinc/61/28/46/526612846.db2.gz PTKIBBSRQUFZCJ-SECBINFHSA-N 1 0 298.308 2.318 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1cnc(-c2ccsc2)s1 ZINC000160098131 527255125 /nfs/dbraw/zinc/25/51/25/527255125.db2.gz DSTDBVSVAYIABR-UHFFFAOYSA-N 1 0 281.406 2.339 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000160557706 528925872 /nfs/dbraw/zinc/92/58/72/528925872.db2.gz CWNLOJLDDKEDFY-QWHCGFSZSA-N 1 0 270.417 2.215 20 70 CEIDRO CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000160936362 574512854 /nfs/dbraw/zinc/51/28/54/574512854.db2.gz JPOFHGGXRZJMMD-OLZOCXBDSA-N 1 0 292.379 2.094 20 70 CEIDRO C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)[C@H](C)C1 ZINC000160449193 574511515 /nfs/dbraw/zinc/51/15/15/574511515.db2.gz HWKGOQOUMUGRBW-MNLSVMLLSA-N 1 0 294.439 2.166 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1cccc3C)CC2 ZINC000160338406 282128224 /nfs/dbraw/zinc/12/82/24/282128224.db2.gz CMVJYJOZJWXYAT-CJNGLKHVSA-N 1 0 282.391 2.487 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000159369467 344454688 /nfs/dbraw/zinc/45/46/88/344454688.db2.gz ACOKCYZRQOUYJZ-OAHLLOKOSA-N 1 0 295.423 2.448 20 70 CEIDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCSCC)C1 ZINC000159885372 344456354 /nfs/dbraw/zinc/45/63/54/344456354.db2.gz KSZDUXONGFGAJP-ZDUSSCGKSA-N 1 0 272.458 2.368 20 70 CEIDRO Cc1cc(C)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)[nH]1 ZINC000159826478 232248317 /nfs/dbraw/zinc/24/83/17/232248317.db2.gz OHJXMINYCXTIPQ-UHFFFAOYSA-N 1 0 275.396 2.236 20 70 CEIDRO CCn1nc(C(C)C)cc1C(=O)NCC([NH3+])(CC)CC ZINC000160552866 232251587 /nfs/dbraw/zinc/25/15/87/232251587.db2.gz OURZJUAEPCPFNO-UHFFFAOYSA-N 1 0 280.416 2.274 20 70 CEIDRO Cc1ccc(CC(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000159691607 188437264 /nfs/dbraw/zinc/43/72/64/188437264.db2.gz WKVRRFRJJDMHEP-UHFFFAOYSA-N 1 0 289.423 2.361 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160221107 188460100 /nfs/dbraw/zinc/46/01/00/188460100.db2.gz VEVUJDBWIKSTCE-GMTAPVOTSA-N 1 0 280.318 2.018 20 70 CEIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160358701 188468482 /nfs/dbraw/zinc/46/84/82/188468482.db2.gz SIDZQTJNLZHMPE-XQQFMLRXSA-N 1 0 283.416 2.025 20 70 CEIDRO Cc1cc(C)cc(CCNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000160592345 188481699 /nfs/dbraw/zinc/48/16/99/188481699.db2.gz TVESLKJFGPLBGG-HNNXBMFYSA-N 1 0 260.381 2.104 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000161421867 188526092 /nfs/dbraw/zinc/52/60/92/188526092.db2.gz AKSPTQUJNFJJSU-GUTXKFCHSA-N 1 0 260.381 2.247 20 70 CEIDRO C[C@]1(C(=O)NCCc2ccccc2Cl)CCC[NH2+]C1 ZINC000161333610 188522165 /nfs/dbraw/zinc/52/21/65/188522165.db2.gz ZIRZEPDQZWYNMO-HNNXBMFYSA-N 1 0 280.799 2.388 20 70 CEIDRO [NH3+]Cc1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)o1 ZINC000159380131 540081827 /nfs/dbraw/zinc/08/18/27/540081827.db2.gz KDVYANKNSDEIRI-SKDRFNHKSA-N 1 0 292.285 2.302 20 70 CEIDRO CCCc1cc(C(=O)NCC[NH2+]C2CCCCCC2)[nH]n1 ZINC000159719773 540102423 /nfs/dbraw/zinc/10/24/23/540102423.db2.gz NOKFBIFRKRATQZ-UHFFFAOYSA-N 1 0 292.427 2.404 20 70 CEIDRO CC(C)Oc1ccccc1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160846985 540124893 /nfs/dbraw/zinc/12/48/93/540124893.db2.gz JAHOTVKILTUESP-CABCVRRESA-N 1 0 290.407 2.402 20 70 CEIDRO CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160846590 540125089 /nfs/dbraw/zinc/12/50/89/540125089.db2.gz JAHOTVKILTUESP-LSDHHAIUSA-N 1 0 290.407 2.402 20 70 CEIDRO CC(C)c1cnc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000160892228 540126142 /nfs/dbraw/zinc/12/61/42/540126142.db2.gz FLDZJSSVOVQDJL-BDAKNGLRSA-N 1 0 253.371 2.332 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC000161019148 540130762 /nfs/dbraw/zinc/13/07/62/540130762.db2.gz VXRAOYBKKSRBMD-GJZGRUSLSA-N 1 0 272.392 2.395 20 70 CEIDRO CSc1ccsc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161027981 540131067 /nfs/dbraw/zinc/13/10/67/540131067.db2.gz IZFVSTGCVXYPPD-BDAKNGLRSA-N 1 0 270.423 2.470 20 70 CEIDRO Cc1ccc(CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161123621 540133468 /nfs/dbraw/zinc/13/34/68/540133468.db2.gz NEWQCWZHLNMTCQ-LSDHHAIUSA-N 1 0 260.381 2.314 20 70 CEIDRO Cc1ccc(CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161123741 540133856 /nfs/dbraw/zinc/13/38/56/540133856.db2.gz NEWQCWZHLNMTCQ-GJZGRUSLSA-N 1 0 260.381 2.314 20 70 CEIDRO CC[NH2+][C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216815205 540415272 /nfs/dbraw/zinc/41/52/72/540415272.db2.gz NBQGJGLSRLJJHF-QFGHMXTESA-N 1 0 250.386 2.069 20 70 CEIDRO O=C(CCCn1ccnc1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159628222 540421370 /nfs/dbraw/zinc/42/13/70/540421370.db2.gz XRBGYJKRBYHMFR-CQSZACIVSA-N 1 0 291.395 2.271 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)Cc1cc(=O)c(O)co1 ZINC000159773832 540431062 /nfs/dbraw/zinc/43/10/62/540431062.db2.gz QIOMUVIDGYBEOI-UHFFFAOYSA-N 1 0 294.376 2.255 20 70 CEIDRO C[N@H+](CCOc1ccc(F)cc1)CCn1ccnc1 ZINC000159689662 366940278 /nfs/dbraw/zinc/94/02/78/366940278.db2.gz RFIHDPBTOSJLJL-UHFFFAOYSA-N 1 0 263.316 2.033 20 70 CEIDRO CCCOc1cccc(CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC000159714999 366941715 /nfs/dbraw/zinc/94/17/15/366941715.db2.gz CVIMCNZHMBWMOY-UHFFFAOYSA-N 1 0 292.423 2.474 20 70 CEIDRO C[C@@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159374434 366906949 /nfs/dbraw/zinc/90/69/49/366906949.db2.gz HLGFFASEDYMUTE-WMLDXEAASA-N 1 0 272.392 2.392 20 70 CEIDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000159437808 366913611 /nfs/dbraw/zinc/91/36/11/366913611.db2.gz VBXAZFBZIRHHNO-LBPRGKRZSA-N 1 0 271.364 2.238 20 70 CEIDRO CCN(CC[NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000159454932 366915006 /nfs/dbraw/zinc/91/50/06/366915006.db2.gz DPFQKEYEOQVXST-QWHCGFSZSA-N 1 0 286.416 2.258 20 70 CEIDRO CC(C)[C@@H](C(=O)N(C)CCOCc1ccccc1)[NH+](C)C ZINC000159484094 366917912 /nfs/dbraw/zinc/91/79/12/366917912.db2.gz MEAQRBALFOLBET-INIZCTEOSA-N 1 0 292.423 2.248 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000159497041 366919552 /nfs/dbraw/zinc/91/95/52/366919552.db2.gz UJNPKTGXMHJENV-AWEZNQCLSA-N 1 0 291.395 2.199 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159499570 366919816 /nfs/dbraw/zinc/91/98/16/366919816.db2.gz ZDMJATBYDTZPBX-CQSZACIVSA-N 1 0 291.395 2.199 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000159507827 366921651 /nfs/dbraw/zinc/92/16/51/366921651.db2.gz WYEOZMDONQFGCF-AWEZNQCLSA-N 1 0 275.396 2.485 20 70 CEIDRO CC(C)c1ncc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159523864 366922171 /nfs/dbraw/zinc/92/21/71/366922171.db2.gz ZYNPDVITEJYPQU-WDEREUQCSA-N 1 0 281.425 2.352 20 70 CEIDRO CC(C)[N@H+](C[C@H](C)O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159548827 366925173 /nfs/dbraw/zinc/92/51/73/366925173.db2.gz CYRWLKLUGWSPCD-AWEZNQCLSA-N 1 0 298.471 2.362 20 70 CEIDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000159592917 366930065 /nfs/dbraw/zinc/93/00/65/366930065.db2.gz KQBRBYZALZFLQB-KGLIPLIRSA-N 1 0 298.390 2.049 20 70 CEIDRO Cc1ccc(C[C@H](C)N(C)C(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000159639424 366933967 /nfs/dbraw/zinc/93/39/67/366933967.db2.gz INIICTIMALEGFD-XJKSGUPXSA-N 1 0 278.371 2.086 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000159644511 366935245 /nfs/dbraw/zinc/93/52/45/366935245.db2.gz FCDYJGJIUMHPKR-CHWSQXEVSA-N 1 0 255.406 2.016 20 70 CEIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000159658370 366937074 /nfs/dbraw/zinc/93/70/74/366937074.db2.gz BLPQXCPWQNZDNE-ZFWWWQNUSA-N 1 0 260.381 2.357 20 70 CEIDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000159813860 366951951 /nfs/dbraw/zinc/95/19/51/366951951.db2.gz LXFMGKZNQKWMJT-ZIAGYGMSSA-N 1 0 275.396 2.449 20 70 CEIDRO COCCC1(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000159927539 366959987 /nfs/dbraw/zinc/95/99/87/366959987.db2.gz JIXLALVYIIKVMV-RBSFLKMASA-N 1 0 296.455 2.286 20 70 CEIDRO CC[C@H](C)OCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000159992160 366963732 /nfs/dbraw/zinc/96/37/32/366963732.db2.gz SORUKZGCQSWMAG-HOCLYGCPSA-N 1 0 292.423 2.091 20 70 CEIDRO Cc1cc(C)cc(-c2nnc(NC(=O)CCC[NH3+])s2)c1 ZINC000160118685 366975059 /nfs/dbraw/zinc/97/50/59/366975059.db2.gz UAXRNNTZTGFYOW-UHFFFAOYSA-N 1 0 290.392 2.499 20 70 CEIDRO CC(C)(C(=O)NCCC[NH3+])c1ccc(Br)cc1 ZINC000160169707 366979203 /nfs/dbraw/zinc/97/92/03/366979203.db2.gz HLQMEUFKCPDRJF-UHFFFAOYSA-N 1 0 299.212 2.192 20 70 CEIDRO COc1cc2c(cc1C[NH2+][C@]1(C)CCOC1)O[C@H](C)C2 ZINC000160183616 366979218 /nfs/dbraw/zinc/97/92/18/366979218.db2.gz MFRPQLWMGKJICS-BDJLRTHQSA-N 1 0 277.364 2.287 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(SC(F)F)cc2)C1 ZINC000160263383 366988156 /nfs/dbraw/zinc/98/81/56/366988156.db2.gz DEZCCQNOZLTQKF-SECBINFHSA-N 1 0 272.320 2.175 20 70 CEIDRO Cc1cccc2nc(C[NH2+][C@H](C)[C@H]3CCOC3)cn21 ZINC000160298629 366992686 /nfs/dbraw/zinc/99/26/86/366992686.db2.gz XPLVDYJXGDVDNW-OLZOCXBDSA-N 1 0 259.353 2.157 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C1 ZINC000160585115 367019610 /nfs/dbraw/zinc/01/96/10/367019610.db2.gz ICQNEGRQIIEOAP-CQSZACIVSA-N 1 0 260.381 2.076 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000160376132 367000846 /nfs/dbraw/zinc/00/08/46/367000846.db2.gz NPQDBFHYJFSWQY-MCIONIFRSA-N 1 0 288.391 2.139 20 70 CEIDRO [NH3+]CCCC(=O)Nc1nccn1Cc1ccccc1Cl ZINC000160829078 367037396 /nfs/dbraw/zinc/03/73/96/367037396.db2.gz UIYRNPFDWYXEFR-UHFFFAOYSA-N 1 0 292.770 2.262 20 70 CEIDRO CC1CCC(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000161038922 367050670 /nfs/dbraw/zinc/05/06/70/367050670.db2.gz IMQKLOIMEWBGFE-UYSNPLJNSA-N 1 0 294.439 2.136 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000161137492 367060581 /nfs/dbraw/zinc/06/05/81/367060581.db2.gz PZWIRNYMVCSLCR-SNVBAGLBSA-N 1 0 260.337 2.189 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1C ZINC000161152899 367062270 /nfs/dbraw/zinc/06/22/70/367062270.db2.gz NFHDDBCEOHTYSP-CYBMUJFWSA-N 1 0 296.798 2.238 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(CC(=O)OC)c1 ZINC000161222208 367070154 /nfs/dbraw/zinc/07/01/54/367070154.db2.gz DDLQLGIRYSYQOJ-UHFFFAOYSA-N 1 0 292.379 2.106 20 70 CEIDRO CSc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1F ZINC000161262029 367073141 /nfs/dbraw/zinc/07/31/41/367073141.db2.gz WFPYNHDDRGPKJO-JTQLQIEISA-N 1 0 282.384 2.229 20 70 CEIDRO CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)c1cc(F)ccc1F ZINC000160658140 367026000 /nfs/dbraw/zinc/02/60/00/367026000.db2.gz FZNIYMRNNOFZOX-ZANVPECISA-N 1 0 270.323 2.388 20 70 CEIDRO O[C@@H](Cc1ccccc1)C[N@@H+]1CCCSCC1 ZINC000161479414 367089455 /nfs/dbraw/zinc/08/94/55/367089455.db2.gz BRUVCBZIMAQDQV-AWEZNQCLSA-N 1 0 251.395 2.029 20 70 CEIDRO CCc1ncnc(NC[C@H](C)C[NH+]2CCCC2)c1F ZINC000217980031 370203257 /nfs/dbraw/zinc/20/32/57/370203257.db2.gz FGPWXCHWSCQLAD-NSHDSACASA-N 1 0 266.364 2.322 20 70 CEIDRO CCc1ncnc(NC[C@@H](C)[N@H+](C)C2CC2)c1F ZINC000218004397 370204606 /nfs/dbraw/zinc/20/46/06/370204606.db2.gz QORQIKHFBPUOQL-SECBINFHSA-N 1 0 252.337 2.073 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2OC)C1 ZINC000160630746 532955869 /nfs/dbraw/zinc/95/58/69/532955869.db2.gz JOPRGAHNTVKECW-CQSZACIVSA-N 1 0 290.407 2.084 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CSc2ccccc2)C1 ZINC000160720082 532967842 /nfs/dbraw/zinc/96/78/42/532967842.db2.gz QOPWFEYRKDXPQQ-QWHCGFSZSA-N 1 0 278.421 2.235 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H](C)CO)CC2 ZINC000159562261 395058556 /nfs/dbraw/zinc/05/85/56/395058556.db2.gz FTSUYDXNCFIGBO-SLEUVZQESA-N 1 0 263.381 2.159 20 70 CEIDRO Cc1ccc2c(c1)N(C(=O)[C@H]1CCC[NH2+]C1)CCC2 ZINC000159748856 395059477 /nfs/dbraw/zinc/05/94/77/395059477.db2.gz RSDHKHCEDKQFAY-AWEZNQCLSA-N 1 0 258.365 2.274 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000160556951 395061009 /nfs/dbraw/zinc/06/10/09/395061009.db2.gz AVVLUCJFCARITE-AWEZNQCLSA-N 1 0 265.401 2.008 20 70 CEIDRO CC(C)(O)C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000160645199 395062007 /nfs/dbraw/zinc/06/20/07/395062007.db2.gz OKAZIKRUUSTPLL-UHFFFAOYSA-N 1 0 288.391 2.180 20 70 CEIDRO CCSc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000217121303 400307063 /nfs/dbraw/zinc/30/70/63/400307063.db2.gz DOAZXYRPQBZBRQ-NSHDSACASA-N 1 0 264.394 2.233 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCCCOC2CCCC2)CC1 ZINC000159781973 162312557 /nfs/dbraw/zinc/31/25/57/162312557.db2.gz LZACXQJPZJWKTE-UHFFFAOYSA-N 1 0 297.443 2.073 20 70 CEIDRO CC[C@]1(C)C[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159809716 162314696 /nfs/dbraw/zinc/31/46/96/162314696.db2.gz SREPCSQZHHOAMC-GOEBONIOSA-N 1 0 264.413 2.413 20 70 CEIDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(O)c(F)c1 ZINC000159811873 162314804 /nfs/dbraw/zinc/31/48/04/162314804.db2.gz RMCSKMHNCHHASA-UHFFFAOYSA-N 1 0 297.374 2.062 20 70 CEIDRO FC(F)(F)c1nnc(NCC[NH+]2CCCC2)s1 ZINC000160163583 162324370 /nfs/dbraw/zinc/32/43/70/162324370.db2.gz YOCGGMWFRMQZGP-UHFFFAOYSA-N 1 0 266.292 2.065 20 70 CEIDRO CC1CC[NH+](CCNC(=O)N2CCC3(CCC3)C2)CC1 ZINC000160272149 260952542 /nfs/dbraw/zinc/95/25/42/260952542.db2.gz OYLJHSFRDTVMFY-UHFFFAOYSA-N 1 0 279.428 2.304 20 70 CEIDRO C/C=C/C=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160285166 275731557 /nfs/dbraw/zinc/73/15/57/275731557.db2.gz UMWCRJHPPRYVOX-XUXMBSBUSA-N 1 0 292.423 2.003 20 70 CEIDRO CCS[C@H]1CCCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000159767278 276399701 /nfs/dbraw/zinc/39/97/01/276399701.db2.gz BAOGIZUBUVXOOR-NWDGAFQWSA-N 1 0 290.498 2.201 20 70 CEIDRO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)CO1 ZINC000161089495 278646608 /nfs/dbraw/zinc/64/66/08/278646608.db2.gz PEWHLHVUPWKXRP-VNQPRFMTSA-N 1 0 288.391 2.117 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3ccccc31)CC2 ZINC000160477212 279144302 /nfs/dbraw/zinc/14/43/02/279144302.db2.gz HLCWTSLPKNMQLS-HIFRSBDPSA-N 1 0 298.390 2.405 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Oc1ccccc1F ZINC000161245152 282071621 /nfs/dbraw/zinc/07/16/21/282071621.db2.gz WRJJSDQXTFYIIY-LBPRGKRZSA-N 1 0 296.386 2.474 20 70 CEIDRO C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000217731288 289390257 /nfs/dbraw/zinc/39/02/57/289390257.db2.gz JMLNTNBXSUJOSN-ZIAGYGMSSA-N 1 0 282.428 2.277 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161020666 297440441 /nfs/dbraw/zinc/44/04/41/297440441.db2.gz IHWSUUFURPPYTF-GWCFXTLKSA-N 1 0 282.334 2.325 20 70 CEIDRO CCC[NH2+]CCNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000159594472 519916963 /nfs/dbraw/zinc/91/69/63/519916963.db2.gz ZEIMZCWGQJJSDY-UHFFFAOYSA-N 1 0 290.285 2.315 20 70 CEIDRO CCCOC(=O)[C@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160481507 520216280 /nfs/dbraw/zinc/21/62/80/520216280.db2.gz JAGVRKHSRUZOHC-AWEZNQCLSA-N 1 0 282.428 2.136 20 70 CEIDRO CC[NH+](CC)CC(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161146690 520585010 /nfs/dbraw/zinc/58/50/10/520585010.db2.gz QHTOKPGZCSXDKN-UHFFFAOYSA-N 1 0 286.379 2.461 20 70 CEIDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCOCC2CC2)C1 ZINC000159612106 520678398 /nfs/dbraw/zinc/67/83/98/520678398.db2.gz HNLOLCHNDRUFHP-HOCLYGCPSA-N 1 0 296.455 2.430 20 70 CEIDRO CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160873343 520984685 /nfs/dbraw/zinc/98/46/85/520984685.db2.gz OHRUYWZJDHVEPA-CQSZACIVSA-N 1 0 279.428 2.445 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(F)cc1F)C1CC1 ZINC000161151592 522023174 /nfs/dbraw/zinc/02/31/74/522023174.db2.gz HAJPOEUAWKTGHR-LBPRGKRZSA-N 1 0 286.297 2.174 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NC[C@H]2CC[N@H+](CC)C2)on1 ZINC000161327231 522031695 /nfs/dbraw/zinc/03/16/95/522031695.db2.gz WPHIYVGMCIXGGL-NWDGAFQWSA-N 1 0 279.384 2.260 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000160610994 522503712 /nfs/dbraw/zinc/50/37/12/522503712.db2.gz FPPVIBPQPAMGMH-LBPRGKRZSA-N 1 0 284.359 2.282 20 70 CEIDRO COC(C[NH+]1CCC(OCC2CCCC2)CC1)OC ZINC000161482216 522528774 /nfs/dbraw/zinc/52/87/74/522528774.db2.gz YNVGDBOXWCWOTP-UHFFFAOYSA-N 1 0 271.401 2.277 20 70 CEIDRO COC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC000160741345 522743720 /nfs/dbraw/zinc/74/37/20/522743720.db2.gz WQTNHSVLPUBEJN-WFASDCNBSA-N 1 0 274.364 2.127 20 70 CEIDRO CC[C@H](C)CN(CC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160661353 523877625 /nfs/dbraw/zinc/87/76/25/523877625.db2.gz RGFDJGGSZXZHSX-QDEZUTFSSA-N 1 0 296.455 2.414 20 70 CEIDRO CCc1ccc(CC(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000161316757 523909235 /nfs/dbraw/zinc/90/92/35/523909235.db2.gz MMISEZUPDLAJPR-MRXNPFEDSA-N 1 0 274.408 2.250 20 70 CEIDRO Cc1cc(CN(C)CCC[NH+]2CCCCC2)no1 ZINC000161270541 524661317 /nfs/dbraw/zinc/66/13/17/524661317.db2.gz FBORNQKVIZJEEQ-UHFFFAOYSA-N 1 0 251.374 2.291 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cn1 ZINC000160607741 525696481 /nfs/dbraw/zinc/69/64/81/525696481.db2.gz QUKKXZUAKHJXBT-QMMMGPOBSA-N 1 0 273.174 2.093 20 70 CEIDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160594612 525817380 /nfs/dbraw/zinc/81/73/80/525817380.db2.gz CPTSYLLELXLLSF-RKDXNWHRSA-N 1 0 273.174 2.093 20 70 CEIDRO C[C@H](Sc1ccccn1)C(=O)NCC[NH2+]C(C)(C)C ZINC000161021305 525997442 /nfs/dbraw/zinc/99/74/42/525997442.db2.gz AOIZZDAHQLFWGE-NSHDSACASA-N 1 0 281.425 2.067 20 70 CEIDRO COc1cccc(NC2CC[NH+](CC(OC)OC)CC2)c1 ZINC000161347024 526207878 /nfs/dbraw/zinc/20/78/78/526207878.db2.gz DNKULGAGPVIFQG-UHFFFAOYSA-N 1 0 294.395 2.190 20 70 CEIDRO CCO[C@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)C1(C)C ZINC000160500830 528067235 /nfs/dbraw/zinc/06/72/35/528067235.db2.gz BNLHFSUAJUASCP-OLZOCXBDSA-N 1 0 282.428 2.168 20 70 CEIDRO COc1cc(NC(=O)[C@H]2CCCCC[NH2+]2)ccc1F ZINC000160349763 344458195 /nfs/dbraw/zinc/45/81/95/344458195.db2.gz LTYWIQFHBVAUSP-GFCCVEGCSA-N 1 0 266.316 2.305 20 70 CEIDRO CCn1ccnc1C[NH2+]CCc1ccccc1OC ZINC000218206177 344536335 /nfs/dbraw/zinc/53/63/35/344536335.db2.gz NLYBHWMCJIHIBN-UHFFFAOYSA-N 1 0 259.353 2.244 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000160733241 232251998 /nfs/dbraw/zinc/25/19/98/232251998.db2.gz MYXXKWWDWNBHDG-YUELXQCFSA-N 1 0 260.381 2.342 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000160065390 188453447 /nfs/dbraw/zinc/45/34/47/188453447.db2.gz MQXXNKCAMBKPNK-UHFFFAOYSA-N 1 0 298.390 2.217 20 70 CEIDRO CC(C)(CNC(=O)C1CC[NH2+]CC1)c1cccc(F)c1 ZINC000161196819 188515020 /nfs/dbraw/zinc/51/50/20/188515020.db2.gz CTFXBWCNBYZVBK-UHFFFAOYSA-N 1 0 278.371 2.219 20 70 CEIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000161119968 188509624 /nfs/dbraw/zinc/50/96/24/188509624.db2.gz UPWFWLXQHRJBRQ-STQMWFEESA-N 1 0 278.421 2.426 20 70 CEIDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160655006 540120374 /nfs/dbraw/zinc/12/03/74/540120374.db2.gz ORZBJPBJBHYWFM-AEGPPILISA-N 1 0 258.365 2.109 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000160758930 540122211 /nfs/dbraw/zinc/12/22/11/540122211.db2.gz PJZWUXOTZAGIJY-NEPJUHHUSA-N 1 0 273.380 2.044 20 70 CEIDRO CC(C)Oc1ccccc1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160846714 540125386 /nfs/dbraw/zinc/12/53/86/540125386.db2.gz JAHOTVKILTUESP-GJZGRUSLSA-N 1 0 290.407 2.402 20 70 CEIDRO Cc1ccccc1CCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161113710 540132885 /nfs/dbraw/zinc/13/28/85/540132885.db2.gz HVEUTUSZFUFVCG-GJZGRUSLSA-N 1 0 260.381 2.314 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2ccccc2Cl)C1 ZINC000161092873 540132925 /nfs/dbraw/zinc/13/29/25/540132925.db2.gz YLDMDXMYABXZGX-NWDGAFQWSA-N 1 0 296.798 2.495 20 70 CEIDRO C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000161439902 540138321 /nfs/dbraw/zinc/13/83/21/540138321.db2.gz DDRPHDVOMKETSH-NTQSIJHJSA-N 1 0 287.407 2.317 20 70 CEIDRO C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000217731218 540169052 /nfs/dbraw/zinc/16/90/52/540169052.db2.gz JMLNTNBXSUJOSN-UONOGXRCSA-N 1 0 282.428 2.277 20 70 CEIDRO c1ncc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159462795 540409317 /nfs/dbraw/zinc/40/93/17/540409317.db2.gz FYUKZUPSKBINHP-UTUOFQBUSA-N 1 0 250.367 2.190 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(C(C)C)no2)CC1 ZINC000159863182 540434349 /nfs/dbraw/zinc/43/43/49/540434349.db2.gz VQECEASFKWEIKE-UHFFFAOYSA-N 1 0 294.399 2.035 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1SCCc2sccc21 ZINC000160363524 283472105 /nfs/dbraw/zinc/47/21/05/283472105.db2.gz BVMJGJCRTVZWGU-JOYOIKCWSA-N 1 0 282.434 2.028 20 70 CEIDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cn1 ZINC000161433014 540821224 /nfs/dbraw/zinc/82/12/24/540821224.db2.gz ROVQCDJWEREMLC-UHFFFAOYSA-N 1 0 278.400 2.442 20 70 CEIDRO CCC(CC)(C[NH2+]Cc1cc(C)on1)C(=O)OC ZINC000159675544 366938921 /nfs/dbraw/zinc/93/89/21/366938921.db2.gz OPIFHLNIGBAJND-UHFFFAOYSA-N 1 0 254.330 2.052 20 70 CEIDRO CC1=C(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCCO1 ZINC000159720849 366943267 /nfs/dbraw/zinc/94/32/67/366943267.db2.gz LLROANCKXZAIAB-HIFRSBDPSA-N 1 0 278.396 2.014 20 70 CEIDRO CCc1nc2c(s1)[C@@H]([NH2+]CCN(C)CCOC)CCC2 ZINC000159367380 366905783 /nfs/dbraw/zinc/90/57/83/366905783.db2.gz YAAIXLVZYHHDFI-LBPRGKRZSA-N 1 0 297.468 2.251 20 70 CEIDRO O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000159450421 366914704 /nfs/dbraw/zinc/91/47/04/366914704.db2.gz IMMVNMIIUHAYDS-OAGGEKHMSA-N 1 0 272.392 2.124 20 70 CEIDRO COc1ccccc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159508122 366921272 /nfs/dbraw/zinc/92/12/72/366921272.db2.gz MMSIYEYBIHUZTC-ZDUSSCGKSA-N 1 0 276.380 2.358 20 70 CEIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC2(CCCC2)C1 ZINC000159584700 366929425 /nfs/dbraw/zinc/92/94/25/366929425.db2.gz MYSOLTRLBBIETL-HNNXBMFYSA-N 1 0 272.392 2.349 20 70 CEIDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCOCC2CC2)C1 ZINC000159612356 366932055 /nfs/dbraw/zinc/93/20/55/366932055.db2.gz HNLOLCHNDRUFHP-ZBFHGGJFSA-N 1 0 296.455 2.430 20 70 CEIDRO O=c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc2ccccn12 ZINC000159611282 366932844 /nfs/dbraw/zinc/93/28/44/366932844.db2.gz XKNSCQYPLVNGAR-ZFWWWQNUSA-N 1 0 283.375 2.459 20 70 CEIDRO Cc1csc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159632136 366934044 /nfs/dbraw/zinc/93/40/44/366934044.db2.gz LYRCAWQHHXSTSC-DRZSPHRISA-N 1 0 264.394 2.499 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000159627613 366934257 /nfs/dbraw/zinc/93/42/57/366934257.db2.gz AOPWPBHGWYZTHC-VJTBZZIASA-N 1 0 276.355 2.425 20 70 CEIDRO COCCC[N@H+](C)CCNc1nc(C(C)(C)C)ns1 ZINC000159647603 366935128 /nfs/dbraw/zinc/93/51/28/366935128.db2.gz WFOLPLVGKIIMOM-UHFFFAOYSA-N 1 0 286.445 2.216 20 70 CEIDRO Cc1ccc([C@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159661326 366937172 /nfs/dbraw/zinc/93/71/72/366937172.db2.gz WNHOVVHSSDMUIJ-HIFRSBDPSA-N 1 0 260.381 2.357 20 70 CEIDRO CN(Cc1cccc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000159669140 366937635 /nfs/dbraw/zinc/93/76/35/366937635.db2.gz NMCLFOIBWYLREX-HNNXBMFYSA-N 1 0 255.365 2.404 20 70 CEIDRO COc1c(F)ccc(F)c1C(=O)NCC1([NH3+])CCCCC1 ZINC000159687316 366938452 /nfs/dbraw/zinc/93/84/52/366938452.db2.gz MJCCVTWFFASZBB-UHFFFAOYSA-N 1 0 298.333 2.365 20 70 CEIDRO C[C@H]1C[C@@H](NC(=O)N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159962373 366962244 /nfs/dbraw/zinc/96/22/44/366962244.db2.gz BDNFINFDALDPFV-DZGCQCFKSA-N 1 0 287.407 2.453 20 70 CEIDRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)CC(C)C ZINC000159956967 366962281 /nfs/dbraw/zinc/96/22/81/366962281.db2.gz SYSPGHVWMNJUFY-CYBMUJFWSA-N 1 0 257.422 2.452 20 70 CEIDRO CSc1ccc(O[C@@H](C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159974269 366962477 /nfs/dbraw/zinc/96/24/77/366962477.db2.gz WOQCQQSNNLVZBV-JTQLQIEISA-N 1 0 282.409 2.029 20 70 CEIDRO CCOCCC1(C[NH2+][C@@H](C(N)=O)c2ccccc2)CCC1 ZINC000159983716 366963796 /nfs/dbraw/zinc/96/37/96/366963796.db2.gz JUTJNGXODCESPJ-OAHLLOKOSA-N 1 0 290.407 2.400 20 70 CEIDRO CCN(CC(C)C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160109326 366974959 /nfs/dbraw/zinc/97/49/59/366974959.db2.gz TXMMRHIBCOPOJH-DVOMOZLQSA-N 1 0 282.428 2.023 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1csc(-c2cccs2)n1 ZINC000160111801 366975562 /nfs/dbraw/zinc/97/55/62/366975562.db2.gz OYNRZJRZFGFPTB-UHFFFAOYSA-N 1 0 281.406 2.339 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2Cl ZINC000160591703 367021300 /nfs/dbraw/zinc/02/13/00/367021300.db2.gz FAMSTFPXXLMERL-LLVKDONJSA-N 1 0 284.812 2.310 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccs1)CC2 ZINC000160369111 366999896 /nfs/dbraw/zinc/99/98/96/366999896.db2.gz JHKCXZPJBASKNC-KOLCDFICSA-N 1 0 262.382 2.314 20 70 CEIDRO CC(C)c1nccc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000160427367 367004760 /nfs/dbraw/zinc/00/47/60/367004760.db2.gz ZXBDHQVFKFYTHT-STQMWFEESA-N 1 0 262.401 2.376 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)nc2onc(C)c21 ZINC000160485491 367009916 /nfs/dbraw/zinc/00/99/16/367009916.db2.gz YLHKMRNGMSDLBX-UHFFFAOYSA-N 1 0 290.367 2.087 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC000160532134 367013497 /nfs/dbraw/zinc/01/34/97/367013497.db2.gz NUINITICJNPCHF-CYBMUJFWSA-N 1 0 250.342 2.130 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccc(C(C)C)cc2)C1 ZINC000160528278 367013746 /nfs/dbraw/zinc/01/37/46/367013746.db2.gz PZJMVKLKBIHHTL-HNNXBMFYSA-N 1 0 290.407 2.399 20 70 CEIDRO Cc1ccccc1C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000160525883 367013920 /nfs/dbraw/zinc/01/39/20/367013920.db2.gz YKWHSFZXOBEAEX-UHFFFAOYSA-N 1 0 270.380 2.483 20 70 CEIDRO CC1(C)C[C@H]([NH2+]Cc2cnn(-c3ccccc3)n2)CCO1 ZINC000160538305 367015623 /nfs/dbraw/zinc/01/56/23/367015623.db2.gz KPWWHZKOZRHXTF-CYBMUJFWSA-N 1 0 286.379 2.315 20 70 CEIDRO C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[NH2+]CC1 ZINC000160823651 367036888 /nfs/dbraw/zinc/03/68/88/367036888.db2.gz FGJHVZRHDBZWTP-ZDUSSCGKSA-N 1 0 278.371 2.216 20 70 CEIDRO CC[C@H](C)OCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160899361 367041277 /nfs/dbraw/zinc/04/12/77/367041277.db2.gz AQJOFYQXLTXKAC-XGUBFFRZSA-N 1 0 284.444 2.284 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160894676 367041603 /nfs/dbraw/zinc/04/16/03/367041603.db2.gz NMDVLVMDBGRXNO-SGMGOOAPSA-N 1 0 280.437 2.375 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160913449 367042541 /nfs/dbraw/zinc/04/25/41/367042541.db2.gz YABZIIQUDVQDAY-OAHLLOKOSA-N 1 0 260.381 2.122 20 70 CEIDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160959709 367045501 /nfs/dbraw/zinc/04/55/01/367045501.db2.gz XVEKDWBLFGUPOP-STQMWFEESA-N 1 0 278.396 2.336 20 70 CEIDRO COc1cc2c(cc1C[NH2+]C(C)(C)[C@@H](C)O)O[C@H](C)C2 ZINC000161145446 367061951 /nfs/dbraw/zinc/06/19/51/367061951.db2.gz LSLZQAVUXJLUDM-GHMZBOCLSA-N 1 0 279.380 2.268 20 70 CEIDRO C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)Oc1cccc(F)c1 ZINC000161148895 367062491 /nfs/dbraw/zinc/06/24/91/367062491.db2.gz MGSJZOJPFCXLBV-ZWNOBZJWSA-N 1 0 282.359 2.083 20 70 CEIDRO COCC[NH+]1CCC(NC(=O)C(C)(C)C2CCCC2)CC1 ZINC000161183598 367065273 /nfs/dbraw/zinc/06/52/73/367065273.db2.gz VCOMSSJACYLZOO-UHFFFAOYSA-N 1 0 296.455 2.430 20 70 CEIDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161369140 367081151 /nfs/dbraw/zinc/08/11/51/367081151.db2.gz JIWPDUMXYAAMOX-CMPLNLGQSA-N 1 0 280.368 2.008 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)C1 ZINC000160687763 367026696 /nfs/dbraw/zinc/02/66/96/367026696.db2.gz CZNCWJRUUUGPEB-KRWDZBQOSA-N 1 0 295.386 2.491 20 70 CEIDRO CCc1ccc(/C=C/C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)o1 ZINC000161399327 367083514 /nfs/dbraw/zinc/08/35/14/367083514.db2.gz FVPRPASDQPWTBZ-UVHIWXSVSA-N 1 0 276.380 2.406 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@@H](c2ccccc2OC)C1 ZINC000161439928 367086599 /nfs/dbraw/zinc/08/65/99/367086599.db2.gz KLAWNBIDYMNGTH-OCCSQVGLSA-N 1 0 276.380 2.139 20 70 CEIDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000161492892 367090844 /nfs/dbraw/zinc/09/08/44/367090844.db2.gz WCOUADITKNCGEN-VXGBXAGGSA-N 1 0 296.798 2.482 20 70 CEIDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000217437494 370195696 /nfs/dbraw/zinc/19/56/96/370195696.db2.gz PEILQICUBJQBMA-NUEKZKHPSA-N 1 0 272.392 2.350 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000160796779 532956861 /nfs/dbraw/zinc/95/68/61/532956861.db2.gz WJHVLBCIJVRVFO-CYBMUJFWSA-N 1 0 296.798 2.319 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2OC)C1 ZINC000160630624 533031121 /nfs/dbraw/zinc/03/11/21/533031121.db2.gz JOPRGAHNTVKECW-AWEZNQCLSA-N 1 0 290.407 2.084 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000217850623 130763176 /nfs/dbraw/zinc/76/31/76/130763176.db2.gz PSWRWCYGVXCSKP-OAHLLOKOSA-N 1 0 291.420 2.076 20 70 CEIDRO COC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217674826 394455548 /nfs/dbraw/zinc/45/55/48/394455548.db2.gz BZWWTZYGTZJCKV-CVEARBPZSA-N 1 0 288.391 2.190 20 70 CEIDRO COC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000161062401 395063688 /nfs/dbraw/zinc/06/36/88/395063688.db2.gz AXHDOEOKSUXUIM-VIFPVBQESA-N 1 0 296.754 2.065 20 70 CEIDRO CCC[NH+]1CCC(Nc2ncnc(CC)c2F)CC1 ZINC000217960774 153296605 /nfs/dbraw/zinc/29/66/05/153296605.db2.gz PFZBQDWRIKJDSS-UHFFFAOYSA-N 1 0 266.364 2.464 20 70 CEIDRO CCCC[N@H+](CCO)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000217622422 153296837 /nfs/dbraw/zinc/29/68/37/153296837.db2.gz NJSLOBGJCPYTAC-JKSUJKDBSA-N 1 0 296.455 2.262 20 70 CEIDRO CSc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160186789 286727979 /nfs/dbraw/zinc/72/79/79/286727979.db2.gz PINTZEDDEQVHKW-RYUDHWBXSA-N 1 0 294.420 2.126 20 70 CEIDRO Cc1ccc(C)c(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159788571 162311773 /nfs/dbraw/zinc/31/17/73/162311773.db2.gz TURUCMXZKXGORV-IYBDPMFKSA-N 1 0 272.392 2.199 20 70 CEIDRO CC(C)CCn1ccc(NC(=O)NCC[N@H+](C)C(C)C)n1 ZINC000159708944 162311808 /nfs/dbraw/zinc/31/18/08/162311808.db2.gz AWCBWEQJFAQCKM-UHFFFAOYSA-N 1 0 295.431 2.391 20 70 CEIDRO Cc1noc(C)c1CN1CC[NH+](CCCOC(C)C)CC1 ZINC000159712897 162314063 /nfs/dbraw/zinc/31/40/63/162314063.db2.gz OGAAFHYPPUHORH-UHFFFAOYSA-N 1 0 295.427 2.224 20 70 CEIDRO CCS[C@H]1CCCC[N@H+](CCn2ccnc2)C1 ZINC000159816374 162314892 /nfs/dbraw/zinc/31/48/92/162314892.db2.gz FMEOCJOMWGUOAO-ZDUSSCGKSA-N 1 0 253.415 2.491 20 70 CEIDRO c1cn(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000159806272 162315759 /nfs/dbraw/zinc/31/57/59/162315759.db2.gz QIEPOAIKAZXQNU-QGZVFWFLSA-N 1 0 290.455 2.471 20 70 CEIDRO CC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2C)C1)[NH+](C)C ZINC000159936526 162317907 /nfs/dbraw/zinc/31/79/07/162317907.db2.gz IMVOYTAFIWHNEH-JKSUJKDBSA-N 1 0 290.407 2.235 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000159976790 162318112 /nfs/dbraw/zinc/31/81/12/162318112.db2.gz MQJAWUMZQYCQJR-NSHDSACASA-N 1 0 280.416 2.302 20 70 CEIDRO COC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)C1CC1 ZINC000160109306 162322653 /nfs/dbraw/zinc/32/26/53/162322653.db2.gz ZRFUZCDPDVFYES-AWEZNQCLSA-N 1 0 264.369 2.383 20 70 CEIDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)[C@H]1CCOC1 ZINC000160068597 162323251 /nfs/dbraw/zinc/32/32/51/162323251.db2.gz HXFNAEKCIZYTIR-QWRGUYRKSA-N 1 0 271.307 2.358 20 70 CEIDRO CCOc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160035745 162324015 /nfs/dbraw/zinc/32/40/15/162324015.db2.gz WFWWJMMTKAWLBN-OKILXGFUSA-N 1 0 274.364 2.052 20 70 CEIDRO Cc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)nc1 ZINC000160100938 162324164 /nfs/dbraw/zinc/32/41/64/162324164.db2.gz FGTMDCKCBLCDMU-NEPJUHHUSA-N 1 0 274.286 2.278 20 70 CEIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](CCO)CSC)c1 ZINC000160177568 162326420 /nfs/dbraw/zinc/32/64/20/162326420.db2.gz PVSUFDCBJJHHRZ-VXGBXAGGSA-N 1 0 299.436 2.468 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)C1CC1 ZINC000160144218 287050783 /nfs/dbraw/zinc/05/07/83/287050783.db2.gz ZPAFLRIDTHBEPJ-MNOVXSKESA-N 1 0 257.341 2.111 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160081410 274234564 /nfs/dbraw/zinc/23/45/64/274234564.db2.gz HCPSNUPVMPMCLJ-LDWIPMOCSA-N 1 0 273.163 2.444 20 70 CEIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000159480522 275597911 /nfs/dbraw/zinc/59/79/11/275597911.db2.gz QNRDSLFSINISEK-ZDUSSCGKSA-N 1 0 290.342 2.323 20 70 CEIDRO CC1(C)C(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1(C)C ZINC000159784530 276098957 /nfs/dbraw/zinc/09/89/57/276098957.db2.gz FBFKBSWDEDPIPO-PHIMTYICSA-N 1 0 250.386 2.022 20 70 CEIDRO CCC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000160934916 276293379 /nfs/dbraw/zinc/29/33/79/276293379.db2.gz KNZIXNQFWHPHJM-GXTWGEPZSA-N 1 0 272.458 2.496 20 70 CEIDRO CC(C)(C)c1ncsc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160574089 277277372 /nfs/dbraw/zinc/27/73/72/277277372.db2.gz RJKAQEVXLRCTQG-PHIMTYICSA-N 1 0 293.436 2.407 20 70 CEIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(F)cc1N(C)C ZINC000160638796 279461669 /nfs/dbraw/zinc/46/16/69/279461669.db2.gz AMQRMSIOBGPICA-JTQLQIEISA-N 1 0 254.349 2.313 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161009731 289763692 /nfs/dbraw/zinc/76/36/92/289763692.db2.gz SBANHLFJQMGXIT-JOYOIKCWSA-N 1 0 284.812 2.304 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160069048 297432993 /nfs/dbraw/zinc/43/29/93/297432993.db2.gz WLKXZJLYCROHDJ-LBPRGKRZSA-N 1 0 260.341 2.293 20 70 CEIDRO CS[C@@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000160528023 297437487 /nfs/dbraw/zinc/43/74/87/297437487.db2.gz MACGJNNTLWKQSF-OLZOCXBDSA-N 1 0 272.458 2.366 20 70 CEIDRO CC(C)(C)c1cnc(CNC(=O)[C@H]([NH3+])c2ccccc2)o1 ZINC000160639305 519072632 /nfs/dbraw/zinc/07/26/32/519072632.db2.gz OWUPSCLVMMQOPC-CQSZACIVSA-N 1 0 287.363 2.288 20 70 CEIDRO [NH3+]C1(CNC(=O)CCCOc2cccnc2)CCCCC1 ZINC000159727116 534535616 /nfs/dbraw/zinc/53/56/16/534535616.db2.gz OIRDZACJZMGJEA-UHFFFAOYSA-N 1 0 291.395 2.018 20 70 CEIDRO CCC(CC)CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160901498 521531537 /nfs/dbraw/zinc/53/15/37/521531537.db2.gz VZXXMUAWXOOFFM-HEHGZKQESA-N 1 0 282.428 2.071 20 70 CEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC000161323444 521710163 /nfs/dbraw/zinc/71/01/63/521710163.db2.gz PBLHSAFAHWBXHE-MELADBBJSA-N 1 0 252.402 2.271 20 70 CEIDRO COC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160394077 522458440 /nfs/dbraw/zinc/45/84/40/522458440.db2.gz WENUHXLJYDXPJS-CYBMUJFWSA-N 1 0 259.353 2.193 20 70 CEIDRO C[C@@H]1CCC[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000161156990 524346912 /nfs/dbraw/zinc/34/69/12/524346912.db2.gz RUKIWPHPVVPQGY-XBFCOCLRSA-N 1 0 252.402 2.269 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160521380 525165710 /nfs/dbraw/zinc/16/57/10/525165710.db2.gz KBHNVRJZZMECLD-RISCZKNCSA-N 1 0 286.379 2.261 20 70 CEIDRO c1cc(O[C@H]2CCN(CCC[NH+]3CCCCC3)C2)ccn1 ZINC000161420119 526435269 /nfs/dbraw/zinc/43/52/69/526435269.db2.gz OIWJCJDULRSKNJ-KRWDZBQOSA-N 1 0 289.423 2.411 20 70 CEIDRO Cc1nc2ccccn2c1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000160459071 527176528 /nfs/dbraw/zinc/17/65/28/527176528.db2.gz BMVNUZXQGDOBHF-HNNXBMFYSA-N 1 0 286.423 2.416 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)CC2 ZINC000160436658 527195774 /nfs/dbraw/zinc/19/57/74/527195774.db2.gz LFCZZPRKFQEZEU-PWSUYJOCSA-N 1 0 282.457 2.411 20 70 CEIDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccnc2ccccc12 ZINC000160121221 527242100 /nfs/dbraw/zinc/24/21/00/527242100.db2.gz VXCMUJOYFDPQMP-BQYQJAHWSA-N 1 0 269.348 2.102 20 70 CEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C2(C[NH3+])CCCC2)C1(C)C ZINC000160500687 527792984 /nfs/dbraw/zinc/79/29/84/527792984.db2.gz BNLHFSUAJUASCP-CHWSQXEVSA-N 1 0 282.428 2.168 20 70 CEIDRO CCn1nccc1C[NH2+]Cc1cccc(OCCOC)c1 ZINC000160033839 539278486 /nfs/dbraw/zinc/27/84/86/539278486.db2.gz PUJWZCURTIWOTB-UHFFFAOYSA-N 1 0 289.379 2.218 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000159380410 344454181 /nfs/dbraw/zinc/45/41/81/344454181.db2.gz CGSHMKNDJQVXFR-OAHLLOKOSA-N 1 0 295.423 2.448 20 70 CEIDRO FC(F)CN1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159575423 344455083 /nfs/dbraw/zinc/45/50/83/344455083.db2.gz RQQXCHRVANQJCC-LLVKDONJSA-N 1 0 264.385 2.201 20 70 CEIDRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000159516777 344455208 /nfs/dbraw/zinc/45/52/08/344455208.db2.gz VEETXBAZOSTRQT-NWDGAFQWSA-N 1 0 266.410 2.310 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160184111 344457595 /nfs/dbraw/zinc/45/75/95/344457595.db2.gz NZQZCQZAHRWNJD-NSHDSACASA-N 1 0 254.399 2.308 20 70 CEIDRO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH2+]C(C)C)CCO1 ZINC000160840955 344461799 /nfs/dbraw/zinc/46/17/99/344461799.db2.gz YVAWWQFGJKAPNF-INIZCTEOSA-N 1 0 290.407 2.283 20 70 CEIDRO CCc1ccc(CN2CC[NH+](CC3CC3)CC2)nc1 ZINC000218484930 344536314 /nfs/dbraw/zinc/53/63/14/344536314.db2.gz XSZCHWVCILKKDB-UHFFFAOYSA-N 1 0 259.397 2.172 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000159381452 232246770 /nfs/dbraw/zinc/24/67/70/232246770.db2.gz SGBOTYCMZJBTLF-BXUZGUMPSA-N 1 0 294.345 2.327 20 70 CEIDRO Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160098219 188455364 /nfs/dbraw/zinc/45/53/64/188455364.db2.gz JXZCTCUWWMVNBJ-AWEZNQCLSA-N 1 0 295.814 2.256 20 70 CEIDRO CSc1ccc(C)c(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000160239776 188461468 /nfs/dbraw/zinc/46/14/68/188461468.db2.gz CGMWSYNERPJNGR-LLVKDONJSA-N 1 0 264.394 2.280 20 70 CEIDRO C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1cccs1 ZINC000160280405 188464155 /nfs/dbraw/zinc/46/41/55/188464155.db2.gz RMCGMJLDMIMMLJ-NWDGAFQWSA-N 1 0 266.410 2.262 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000160505546 188477703 /nfs/dbraw/zinc/47/77/03/188477703.db2.gz GHUKGTSCQVJCEQ-UHFFFAOYSA-N 1 0 279.384 2.081 20 70 CEIDRO [NH3+][C@H]1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 ZINC000160523956 188478253 /nfs/dbraw/zinc/47/82/53/188478253.db2.gz ZNKBZHMLVSLQDZ-GWCFXTLKSA-N 1 0 262.328 2.058 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161440209 188527300 /nfs/dbraw/zinc/52/73/00/188527300.db2.gz GFWLOSBUHCBQFJ-ZIAGYGMSSA-N 1 0 288.391 2.011 20 70 CEIDRO [NH3+]C1(CC(=O)Nc2cnn(-c3ccccc3F)c2)CCC1 ZINC000159485196 540084774 /nfs/dbraw/zinc/08/47/74/540084774.db2.gz NQWVXSFGIALNLM-UHFFFAOYSA-N 1 0 288.326 2.221 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1ccccc1OC1CCC1 ZINC000159944624 540107425 /nfs/dbraw/zinc/10/74/25/540107425.db2.gz KYBMZYOLSRTDTN-UHFFFAOYSA-N 1 0 262.353 2.085 20 70 CEIDRO CCCn1nccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160187325 540112917 /nfs/dbraw/zinc/11/29/17/540112917.db2.gz WAPZYMOFEZDOSK-ZIAGYGMSSA-N 1 0 262.401 2.010 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC000160775342 540123393 /nfs/dbraw/zinc/12/33/93/540123393.db2.gz WTKOOCGYBALRNB-RYUDHWBXSA-N 1 0 269.348 2.235 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2cccc(Cl)c2)C1 ZINC000160866647 540125695 /nfs/dbraw/zinc/12/56/95/540125695.db2.gz RYHFFDYWYJJUSN-CHWSQXEVSA-N 1 0 296.798 2.495 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000160892208 540126157 /nfs/dbraw/zinc/12/61/57/540126157.db2.gz RSDNWKIOARBQJS-RQJHMYQMSA-N 1 0 290.260 2.243 20 70 CEIDRO Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161046934 540131831 /nfs/dbraw/zinc/13/18/31/540131831.db2.gz XEJSFNLEZBRZBN-UONOGXRCSA-N 1 0 298.390 2.180 20 70 CEIDRO CCO[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161298908 540136236 /nfs/dbraw/zinc/13/62/36/540136236.db2.gz HUAQXNJYQOBTNI-ZNMIVQPWSA-N 1 0 276.380 2.150 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(Br)c2)C1 ZINC000161179611 540135422 /nfs/dbraw/zinc/13/54/22/540135422.db2.gz UOLFFFWWXNIKCL-NEPJUHHUSA-N 1 0 297.196 2.449 20 70 CEIDRO O=C(NCC1(Sc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000159703071 366939915 /nfs/dbraw/zinc/93/99/15/366939915.db2.gz POQHWKRBCMMSMY-UHFFFAOYSA-N 1 0 290.432 2.427 20 70 CEIDRO COC(=O)c1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)s1 ZINC000159707225 366941593 /nfs/dbraw/zinc/94/15/93/366941593.db2.gz YGMOCGZNIBOMCD-AAEUAGOBSA-N 1 0 297.420 2.436 20 70 CEIDRO Cc1[nH]c(=O)ccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000159731203 366943455 /nfs/dbraw/zinc/94/34/55/366943455.db2.gz LCQRUBYANWGAND-UHFFFAOYSA-N 1 0 285.347 2.410 20 70 CEIDRO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O ZINC000159389413 366908443 /nfs/dbraw/zinc/90/84/43/366908443.db2.gz SJVTXEKRNYHOEY-QWRGUYRKSA-N 1 0 282.409 2.048 20 70 CEIDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)o1 ZINC000159575822 366928544 /nfs/dbraw/zinc/92/85/44/366928544.db2.gz HLTZWQCLWDIHDJ-GFCCVEGCSA-N 1 0 250.342 2.251 20 70 CEIDRO O=C(CCCOc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159577984 366928736 /nfs/dbraw/zinc/92/87/36/366928736.db2.gz ZNIRXUGCVNWLTH-GASCZTMLSA-N 1 0 288.391 2.199 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCCC1 ZINC000159758246 366946765 /nfs/dbraw/zinc/94/67/65/366946765.db2.gz GBWVNQCBPSEXLU-UHFFFAOYSA-N 1 0 281.425 2.018 20 70 CEIDRO CC[C@H](C)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159651833 366935596 /nfs/dbraw/zinc/93/55/96/366935596.db2.gz SDLUPICVXDOBSP-IHRRRGAJSA-N 1 0 267.369 2.450 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000159678180 366938505 /nfs/dbraw/zinc/93/85/05/366938505.db2.gz VJALYUAQTWBRAP-MWLCHTKSSA-N 1 0 279.409 2.106 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159806860 366949596 /nfs/dbraw/zinc/94/95/96/366949596.db2.gz CTAGOSLSSROZLE-GXSJLCMTSA-N 1 0 252.745 2.003 20 70 CEIDRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159790486 366947798 /nfs/dbraw/zinc/94/77/98/366947798.db2.gz JWJNYWWKAFKBJA-FZMZJTMJSA-N 1 0 276.380 2.490 20 70 CEIDRO COCCC1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159786239 366947858 /nfs/dbraw/zinc/94/78/58/366947858.db2.gz UFWBIYIFOQOESJ-UONOGXRCSA-N 1 0 282.428 2.040 20 70 CEIDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(OC)cc2)c[nH]1 ZINC000159866030 366954702 /nfs/dbraw/zinc/95/47/02/366954702.db2.gz MBBAQIUSVRSAHL-UHFFFAOYSA-N 1 0 288.347 2.442 20 70 CEIDRO C[C@H](CNC(=O)NCC1(C2CC2)CCC1)[N@H+](C)C1CC1 ZINC000159862206 366954876 /nfs/dbraw/zinc/95/48/76/366954876.db2.gz OBESVQQNIRCMHP-GFCCVEGCSA-N 1 0 279.428 2.349 20 70 CEIDRO C[N@H+](C[C@H](O)c1ccc(F)cc1)CC1(O)CCCC1 ZINC000159858867 366955007 /nfs/dbraw/zinc/95/50/07/366955007.db2.gz XAVYUFNBKRYKHX-AWEZNQCLSA-N 1 0 267.344 2.096 20 70 CEIDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159945873 366960822 /nfs/dbraw/zinc/96/08/22/366960822.db2.gz IPQDWWJDHIUGQF-VXGBXAGGSA-N 1 0 264.394 2.336 20 70 CEIDRO CCc1cccc(CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160142933 366976346 /nfs/dbraw/zinc/97/63/46/366976346.db2.gz MZAAYAYOTBHZLN-MRXNPFEDSA-N 1 0 286.419 2.392 20 70 CEIDRO C[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000160131644 366976831 /nfs/dbraw/zinc/97/68/31/366976831.db2.gz DXBVAELPFUOUKR-OWCLPIDISA-N 1 0 294.439 2.278 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)NCCc1c(C)cccc1C ZINC000160213816 366983709 /nfs/dbraw/zinc/98/37/09/366983709.db2.gz NFPFDDFWMKMYKL-AWEZNQCLSA-N 1 0 280.437 2.043 20 70 CEIDRO CCSCc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160243059 366986449 /nfs/dbraw/zinc/98/64/49/366986449.db2.gz RMSUHXDSHKIDCH-CYBMUJFWSA-N 1 0 264.394 2.113 20 70 CEIDRO CO[C@@]1(C[NH2+]C[C@@H]2CSc3ccccc32)CCOC1 ZINC000160269852 366989400 /nfs/dbraw/zinc/98/94/00/366989400.db2.gz DJTQAIKCVXSZEJ-IUODEOHRSA-N 1 0 279.405 2.271 20 70 CEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CC=CCC1 ZINC000160284863 366990241 /nfs/dbraw/zinc/99/02/41/366990241.db2.gz BGBFUNZTMGETCJ-HNNXBMFYSA-N 1 0 294.439 2.160 20 70 CEIDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000160571410 367018054 /nfs/dbraw/zinc/01/80/54/367018054.db2.gz OTVFVJBLYUWXPE-DZGCQCFKSA-N 1 0 298.390 2.049 20 70 CEIDRO Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160567147 367018229 /nfs/dbraw/zinc/01/82/29/367018229.db2.gz CEQWPNJQPFQGRD-CYBMUJFWSA-N 1 0 264.369 2.438 20 70 CEIDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160576300 367018987 /nfs/dbraw/zinc/01/89/87/367018987.db2.gz CLQWFXOEXMIDRM-CMPLNLGQSA-N 1 0 274.368 2.408 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CCCC1 ZINC000160486980 367009487 /nfs/dbraw/zinc/00/94/87/367009487.db2.gz KXRNVEVRMQMJFB-CQSZACIVSA-N 1 0 252.402 2.413 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537554 367015451 /nfs/dbraw/zinc/01/54/51/367015451.db2.gz DGPIVLZZZPPAMO-SMDDNHRTSA-N 1 0 288.399 2.030 20 70 CEIDRO [NH3+]C1(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000160800293 367035344 /nfs/dbraw/zinc/03/53/44/367035344.db2.gz DOIMVBLOUIKIFF-UHFFFAOYSA-N 1 0 258.243 2.221 20 70 CEIDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1O ZINC000160915532 367042070 /nfs/dbraw/zinc/04/20/70/367042070.db2.gz OARDFNYPDCGZGX-UHFFFAOYSA-N 1 0 276.380 2.305 20 70 CEIDRO CO[C@H]1CCN(Cc2ccc(SC)cc2)[C@H](C[NH3+])C1 ZINC000160982911 367047435 /nfs/dbraw/zinc/04/74/35/367047435.db2.gz POKWJFBUJLTACL-KBPBESRZSA-N 1 0 280.437 2.347 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000161118516 367059457 /nfs/dbraw/zinc/05/94/57/367059457.db2.gz GTJINMKFLPPNIR-CYBMUJFWSA-N 1 0 273.380 2.180 20 70 CEIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cnn(C)c1 ZINC000161127442 367059554 /nfs/dbraw/zinc/05/95/54/367059554.db2.gz XVFIEJUGTATULS-NSHDSACASA-N 1 0 273.336 2.042 20 70 CEIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161152475 367062549 /nfs/dbraw/zinc/06/25/49/367062549.db2.gz ZPCNCXCVLMJDSS-AWEZNQCLSA-N 1 0 299.374 2.359 20 70 CEIDRO CC1(O)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000161224604 367070045 /nfs/dbraw/zinc/07/00/45/367070045.db2.gz TZOGZFMRCJMHLL-UHFFFAOYSA-N 1 0 271.364 2.219 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161221396 367070775 /nfs/dbraw/zinc/07/07/75/367070775.db2.gz HSVREIXWBVMYEV-HIFRSBDPSA-N 1 0 280.412 2.079 20 70 CEIDRO CC[NH2+]CCNCc1cc(Br)ccc1F ZINC000161297539 367076135 /nfs/dbraw/zinc/07/61/35/367076135.db2.gz MZJSHBXNKCGAFR-UHFFFAOYSA-N 1 0 275.165 2.287 20 70 CEIDRO CC[C@H](C)OCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000160690624 367028618 /nfs/dbraw/zinc/02/86/18/367028618.db2.gz LJRIGAPBYLHVHX-KBPBESRZSA-N 1 0 284.444 2.428 20 70 CEIDRO Cc1cccc(C(=O)N(C)C2CC[NH+](C)CC2)c1F ZINC000161385838 367082427 /nfs/dbraw/zinc/08/24/27/367082427.db2.gz UBLJTAFARQLZLX-UHFFFAOYSA-N 1 0 264.344 2.300 20 70 CEIDRO C[C@H](Oc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161498192 367092057 /nfs/dbraw/zinc/09/20/57/367092057.db2.gz IYQAWGCAUVMYQL-RDGKXADDSA-N 1 0 288.391 2.195 20 70 CEIDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000217323386 370193799 /nfs/dbraw/zinc/19/37/99/370193799.db2.gz UJUSKTGCNJCDII-KGLIPLIRSA-N 1 0 292.427 2.130 20 70 CEIDRO CC(C)NC(=O)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218101340 370204802 /nfs/dbraw/zinc/20/48/02/370204802.db2.gz VAQNRAFBYCXNNL-UHFFFAOYSA-N 1 0 259.353 2.172 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCCCc2ccc(OC)cc2)C1 ZINC000160620179 532956610 /nfs/dbraw/zinc/95/66/10/532956610.db2.gz QGXOMBYYSYPXLL-OAHLLOKOSA-N 1 0 290.407 2.228 20 70 CEIDRO CC1=C(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CCCO1 ZINC000160377746 395061160 /nfs/dbraw/zinc/06/11/60/395061160.db2.gz NZWRPRFPQIKZTP-ZFWWWQNUSA-N 1 0 278.396 2.014 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000161098459 395063494 /nfs/dbraw/zinc/06/34/94/395063494.db2.gz CCKDHWSISVAKSD-IIMNLJJBSA-N 1 0 264.344 2.303 20 70 CEIDRO C[C@H]([NH3+])C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161051467 400283790 /nfs/dbraw/zinc/28/37/90/400283790.db2.gz IVIBYVHORAUJAA-UWVGGRQHSA-N 1 0 254.761 2.077 20 70 CEIDRO COc1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1OC ZINC000217660324 400307939 /nfs/dbraw/zinc/30/79/39/400307939.db2.gz IUUVGFGRPHOSMP-CABCVRRESA-N 1 0 290.407 2.420 20 70 CEIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C12CCCCC2 ZINC000161179005 286483732 /nfs/dbraw/zinc/48/37/32/286483732.db2.gz QUVITEUWDLJNCO-ZNMIVQPWSA-N 1 0 294.439 2.373 20 70 CEIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159672362 162309639 /nfs/dbraw/zinc/30/96/39/162309639.db2.gz CUQUKVUGQFENBL-KCQAQPDRSA-N 1 0 282.428 2.086 20 70 CEIDRO CN(C(=O)c1cc(F)c(Cl)cc1F)[C@H](C[NH3+])C1CC1 ZINC000159788728 162311734 /nfs/dbraw/zinc/31/17/34/162311734.db2.gz GZCLUGWDWSJRSB-GFCCVEGCSA-N 1 0 288.725 2.428 20 70 CEIDRO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COC(C)C)n1 ZINC000159771929 162312743 /nfs/dbraw/zinc/31/27/43/162312743.db2.gz LPLROCSNXUGSNZ-GOEBONIOSA-N 1 0 278.396 2.313 20 70 CEIDRO COC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)C1CC1 ZINC000159940652 162319933 /nfs/dbraw/zinc/31/99/33/162319933.db2.gz YQPDXNRTAZDVCA-XJKSGUPXSA-N 1 0 274.408 2.452 20 70 CEIDRO CC[C@@H](C(=O)N1CCO[C@H](c2ccccc2C)C1)[NH+](C)C ZINC000159936263 162320361 /nfs/dbraw/zinc/32/03/61/162320361.db2.gz IMVOYTAFIWHNEH-HOTGVXAUSA-N 1 0 290.407 2.235 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000161174947 162327647 /nfs/dbraw/zinc/32/76/47/162327647.db2.gz ONYVYGNRNGHYQJ-KBPBESRZSA-N 1 0 288.391 2.153 20 70 CEIDRO CC1(C)C(C(=O)NCC2([NH3+])CCCCC2)C1(C)C ZINC000159642852 276098961 /nfs/dbraw/zinc/09/89/61/276098961.db2.gz RMCHNGUXYCBPRX-UHFFFAOYSA-N 1 0 252.402 2.446 20 70 CEIDRO CCN(CC[NH2+][C@H](C)Cc1ccc(O)cc1)C1CC1 ZINC000217429161 276131795 /nfs/dbraw/zinc/13/17/95/276131795.db2.gz VKIZJWAPJCNODF-CYBMUJFWSA-N 1 0 262.397 2.397 20 70 CEIDRO C[C@@]1(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC[NH2+]C1 ZINC000160341607 278119662 /nfs/dbraw/zinc/11/96/62/278119662.db2.gz AGURXJRMZAQSHU-SUMWQHHRSA-N 1 0 288.391 2.405 20 70 CEIDRO CC(C)(C)CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000159907424 278309702 /nfs/dbraw/zinc/30/97/02/278309702.db2.gz IDPGTSWYAMEXIZ-OAHLLOKOSA-N 1 0 296.455 2.384 20 70 CEIDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159495936 278949013 /nfs/dbraw/zinc/94/90/13/278949013.db2.gz SRIISJZOUNWYQH-OCCSQVGLSA-N 1 0 299.436 2.292 20 70 CEIDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2ccccc21 ZINC000159910496 279348489 /nfs/dbraw/zinc/34/84/89/279348489.db2.gz GQSWTQUIWUHLFB-IJEWVQPXSA-N 1 0 274.408 2.452 20 70 CEIDRO Cc1cc(C)c(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000160123853 280095581 /nfs/dbraw/zinc/09/55/81/280095581.db2.gz DPOJAORAFSVPBE-OAHLLOKOSA-N 1 0 289.423 2.219 20 70 CEIDRO COc1ccc([C@@H](C)CCNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160556075 295204705 /nfs/dbraw/zinc/20/47/05/295204705.db2.gz SRPNUTSLKOIGJU-DZGCQCFKSA-N 1 0 290.407 2.447 20 70 CEIDRO COCCC1(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000159584103 297429196 /nfs/dbraw/zinc/42/91/96/297429196.db2.gz GNRGWHRPHZWUBY-YOEHRIQHSA-N 1 0 296.455 2.430 20 70 CEIDRO CC(C)Oc1cccc(/C=C/C(=O)NCC(C)(C)[NH3+])c1 ZINC000160075828 297433076 /nfs/dbraw/zinc/43/30/76/297433076.db2.gz CPURMFKGSJXKKF-CMDGGOBGSA-N 1 0 276.380 2.341 20 70 CEIDRO CC[NH+]1CCC(CCNC(=O)NC[C@H](C)SC)CC1 ZINC000159882775 312634781 /nfs/dbraw/zinc/63/47/81/312634781.db2.gz CZLRPHZECWKUDO-LBPRGKRZSA-N 1 0 287.473 2.159 20 70 CEIDRO CC[C@@H](C(=O)NCCCSCC(C)C)[NH+](C)C ZINC000160699015 312639886 /nfs/dbraw/zinc/63/98/86/312639886.db2.gz ZPDLQHMATVMSCW-LBPRGKRZSA-N 1 0 260.447 2.222 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000161177132 312643781 /nfs/dbraw/zinc/64/37/81/312643781.db2.gz BJWMAXUXNNOJLS-UKRRQHHQSA-N 1 0 284.444 2.332 20 70 CEIDRO CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000161285789 520163386 /nfs/dbraw/zinc/16/33/86/520163386.db2.gz LSZICDPDAWWXPS-OAGGEKHMSA-N 1 0 263.381 2.310 20 70 CEIDRO C[C@@H](C[NH3+])NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000160667447 533806319 /nfs/dbraw/zinc/80/63/19/533806319.db2.gz YUVKFHRQTCUKAU-ZETCQYMHSA-N 1 0 277.246 2.054 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)Nc1nc(-c2ccsc2)ns1 ZINC000159468402 519817613 /nfs/dbraw/zinc/81/76/13/519817613.db2.gz WTZDWHWHMHLGMU-QMMMGPOBSA-N 1 0 282.394 2.188 20 70 CEIDRO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C(C)C ZINC000160864665 519988677 /nfs/dbraw/zinc/98/86/77/519988677.db2.gz VZVSUHRLMPTVLX-ZDUSSCGKSA-N 1 0 267.417 2.443 20 70 CEIDRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160406981 520669072 /nfs/dbraw/zinc/66/90/72/520669072.db2.gz ZKDQKSJQRWBTIF-GDBMZVCRSA-N 1 0 297.487 2.343 20 70 CEIDRO CC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160873477 520987148 /nfs/dbraw/zinc/98/71/48/520987148.db2.gz OHRUYWZJDHVEPA-AWEZNQCLSA-N 1 0 279.428 2.445 20 70 CEIDRO CCC[C@H](CC)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160443628 521080890 /nfs/dbraw/zinc/08/08/90/521080890.db2.gz OFCQYRILJPVRPM-RSUWNVLCSA-N 1 0 282.428 2.214 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000161341066 522417848 /nfs/dbraw/zinc/41/78/48/522417848.db2.gz LURNNPUCNBICDB-NEPJUHHUSA-N 1 0 291.395 2.402 20 70 CEIDRO COC(C[NH+]1CCC(COc2ccccc2)CC1)OC ZINC000160678138 522530197 /nfs/dbraw/zinc/53/01/97/522530197.db2.gz KHPBNBVWKJAQRO-UHFFFAOYSA-N 1 0 279.380 2.396 20 70 CEIDRO CC[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011774 522754569 /nfs/dbraw/zinc/75/45/69/522754569.db2.gz DRAXVEGLKLNXQP-KKUMJFAQSA-N 1 0 264.417 2.334 20 70 CEIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000161419742 523061861 /nfs/dbraw/zinc/06/18/61/523061861.db2.gz MQQTYAJSHYNRBB-UONOGXRCSA-N 1 0 288.395 2.054 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)c(OC)c1 ZINC000160354154 525159086 /nfs/dbraw/zinc/15/90/86/525159086.db2.gz NDHPHHMQQUXRGM-NEPJUHHUSA-N 1 0 299.436 2.468 20 70 CEIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1F ZINC000160531853 526141634 /nfs/dbraw/zinc/14/16/34/526141634.db2.gz JSIPAQBZIPRPGF-BETUJISGSA-N 1 0 262.328 2.101 20 70 CEIDRO Cc1csc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159631997 526360403 /nfs/dbraw/zinc/36/04/03/526360403.db2.gz LYRCAWQHHXSTSC-UHTWSYAYSA-N 1 0 264.394 2.499 20 70 CEIDRO O=C(CCc1cc(F)ccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160493681 526580619 /nfs/dbraw/zinc/58/06/19/526580619.db2.gz YYOXQLTVMHXKDW-OKILXGFUSA-N 1 0 294.345 2.250 20 70 CEIDRO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000159696622 528370311 /nfs/dbraw/zinc/37/03/11/528370311.db2.gz KUVBFWSEWSTJQQ-ZNMIVQPWSA-N 1 0 260.381 2.245 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3ccc(C)cc31)CC2 ZINC000160494140 282126640 /nfs/dbraw/zinc/12/66/40/282126640.db2.gz LTQYMOSRCWSINJ-GDBMZVCRSA-N 1 0 282.391 2.487 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cc(F)ccc31)CC2 ZINC000160304625 282126728 /nfs/dbraw/zinc/12/67/28/282126728.db2.gz KGWZIARZSHVIFB-UKRRQHHQSA-N 1 0 286.354 2.318 20 70 CEIDRO CCCN(CC[NH+](CC)CC)C(=O)c1nnc(C)s1 ZINC000160535093 539278661 /nfs/dbraw/zinc/27/86/61/539278661.db2.gz ZCBHOMCESGCHIQ-UHFFFAOYSA-N 1 0 284.429 2.041 20 70 CEIDRO c1c(CN2CCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000161354458 539279435 /nfs/dbraw/zinc/27/94/35/539279435.db2.gz XBLWSHOILLSBFC-UHFFFAOYSA-N 1 0 293.374 2.052 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000159378765 232246866 /nfs/dbraw/zinc/24/68/66/232246866.db2.gz CPKINYZYCNYPIP-FBKDDSFISA-N 1 0 294.345 2.454 20 70 CEIDRO CN(C(=O)C1CC[NH2+]CC1)[C@H]1CCc2ccccc2C1 ZINC000160119224 232248785 /nfs/dbraw/zinc/24/87/85/232248785.db2.gz DTKMWWHOOJPUTJ-INIZCTEOSA-N 1 0 272.392 2.002 20 70 CEIDRO C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000160282292 232250691 /nfs/dbraw/zinc/25/06/91/232250691.db2.gz XSSBPQXHPFKDEP-RYUDHWBXSA-N 1 0 266.410 2.262 20 70 CEIDRO CC[NH+]1CCC(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000159485950 188428482 /nfs/dbraw/zinc/42/84/82/188428482.db2.gz KXYQPTAIQGXXPC-NSHDSACASA-N 1 0 292.427 2.121 20 70 CEIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)cc1Cl ZINC000160149957 188457341 /nfs/dbraw/zinc/45/73/41/188457341.db2.gz WIZZBNKWAABKBM-AWEZNQCLSA-N 1 0 295.814 2.256 20 70 CEIDRO CC(C)Sc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160282061 188463527 /nfs/dbraw/zinc/46/35/27/188463527.db2.gz JEBDATRNGOXQSO-LLVKDONJSA-N 1 0 264.394 2.360 20 70 CEIDRO CCCn1nccc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000160084807 540111571 /nfs/dbraw/zinc/11/15/71/540111571.db2.gz BZBBIHRFPFPQCV-CQSZACIVSA-N 1 0 264.417 2.257 20 70 CEIDRO CCCn1nccc1CNC1CC[NH+](C2CC2)CC1 ZINC000160082558 540111582 /nfs/dbraw/zinc/11/15/82/540111582.db2.gz QBFVFUZSDOTJHN-UHFFFAOYSA-N 1 0 262.401 2.010 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC000161019264 540130989 /nfs/dbraw/zinc/13/09/89/540130989.db2.gz VXRAOYBKKSRBMD-HUUCEWRRSA-N 1 0 272.392 2.395 20 70 CEIDRO C[C@@H](CC(=O)N(C)CC1CC[NH+](C)CC1)c1ccncc1 ZINC000160016543 540443379 /nfs/dbraw/zinc/44/33/79/540443379.db2.gz SPVLKANEXMZXFB-AWEZNQCLSA-N 1 0 289.423 2.375 20 70 CEIDRO O=C(NC1CC1)[C@@H]([NH2+]C1CC=CC1)c1ccccc1 ZINC000160892252 540677800 /nfs/dbraw/zinc/67/78/00/540677800.db2.gz GJMSMSSSDLHBCH-HNNXBMFYSA-N 1 0 256.349 2.315 20 70 CEIDRO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159692354 366940148 /nfs/dbraw/zinc/94/01/48/366940148.db2.gz RIUNFUJCGCZZTK-YDHLFZDLSA-N 1 0 276.380 2.106 20 70 CEIDRO C[C@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1O ZINC000159398323 366908521 /nfs/dbraw/zinc/90/85/21/366908521.db2.gz NQCZFBDHVVJTOX-LRDDRELGSA-N 1 0 256.349 2.438 20 70 CEIDRO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159389539 366909523 /nfs/dbraw/zinc/90/95/23/366909523.db2.gz SJVTXEKRNYHOEY-MNOVXSKESA-N 1 0 282.409 2.048 20 70 CEIDRO CC(C)CN(CC[NH+](C)C)C(=O)CCCn1cccc1 ZINC000159417779 366910691 /nfs/dbraw/zinc/91/06/91/366910691.db2.gz DCOVSRMUXFAODU-UHFFFAOYSA-N 1 0 279.428 2.315 20 70 CEIDRO C[C@H](O)CN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000159466741 366916654 /nfs/dbraw/zinc/91/66/54/366916654.db2.gz BUIUSMUWCDCKCE-QWRGUYRKSA-N 1 0 261.325 2.110 20 70 CEIDRO C[C@@H](CO)[N@H+](C)Cc1cccc(Br)c1 ZINC000159458939 366917006 /nfs/dbraw/zinc/91/70/06/366917006.db2.gz JOSMNRDKVRXXRV-VIFPVBQESA-N 1 0 258.159 2.262 20 70 CEIDRO c1cnn([C@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000159562878 366926404 /nfs/dbraw/zinc/92/64/04/366926404.db2.gz WVRIRICMIKUQRT-AWEZNQCLSA-N 1 0 281.363 2.368 20 70 CEIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000159592645 366929736 /nfs/dbraw/zinc/92/97/36/366929736.db2.gz KQBRBYZALZFLQB-ZIAGYGMSSA-N 1 0 298.390 2.049 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(-n2cnnn2)cc1 ZINC000159636593 366933885 /nfs/dbraw/zinc/93/38/85/366933885.db2.gz IVUKLVHSMXDWFI-WCQYABFASA-N 1 0 289.408 2.209 20 70 CEIDRO COc1ccc(OC)c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159659259 366937792 /nfs/dbraw/zinc/93/77/92/366937792.db2.gz CAEXUZLQJOSJCG-DOMZBBRYSA-N 1 0 279.380 2.297 20 70 CEIDRO c1cn(CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000159801793 366950007 /nfs/dbraw/zinc/95/00/07/366950007.db2.gz YNPBDAUIOFNHDS-OAHLLOKOSA-N 1 0 299.374 2.491 20 70 CEIDRO COC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159841405 366952529 /nfs/dbraw/zinc/95/25/29/366952529.db2.gz PTSWYZXFKJXQIO-KSSFIOAISA-N 1 0 288.435 2.448 20 70 CEIDRO Cc1c(C[NH2+]Cc2cnn(-c3ccccc3)c2)cnn1C ZINC000159871417 366957119 /nfs/dbraw/zinc/95/71/19/366957119.db2.gz RFCVVZOAUJKCDO-UHFFFAOYSA-N 1 0 281.363 2.204 20 70 CEIDRO COc1ccccc1C[C@H](C)CC(=O)NCC(C)(C)[NH3+] ZINC000159941408 366960737 /nfs/dbraw/zinc/96/07/37/366960737.db2.gz IALYTJJZGMKASX-LBPRGKRZSA-N 1 0 278.396 2.117 20 70 CEIDRO Cc1nc(-c2cccs2)sc1C(=O)NCCC[NH3+] ZINC000160027149 366967005 /nfs/dbraw/zinc/96/70/05/366967005.db2.gz MAHYCLXNBAVVNU-UHFFFAOYSA-N 1 0 281.406 2.259 20 70 CEIDRO CCOc1ccc(C(C)=O)cc1CN(C)[C@H](C[NH3+])C1CC1 ZINC000160050112 366968869 /nfs/dbraw/zinc/96/88/69/366968869.db2.gz XQLIUVCGXWKXRJ-MRXNPFEDSA-N 1 0 290.407 2.457 20 70 CEIDRO CO[C@@]1(C[NH2+]C[C@H]2CSc3ccccc32)CCOC1 ZINC000160270047 366989047 /nfs/dbraw/zinc/98/90/47/366989047.db2.gz DJTQAIKCVXSZEJ-SWLSCSKDSA-N 1 0 279.405 2.271 20 70 CEIDRO CO[C@@]1(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CCOC1 ZINC000160304315 366992215 /nfs/dbraw/zinc/99/22/15/366992215.db2.gz WPJHWNBSXIMTSG-GDBMZVCRSA-N 1 0 283.412 2.263 20 70 CEIDRO CC[C@@H](COC)[NH2+]Cc1cncc(Br)c1 ZINC000160579684 367019490 /nfs/dbraw/zinc/01/94/90/367019490.db2.gz HNNMCGKVPHCSIU-NSHDSACASA-N 1 0 273.174 2.359 20 70 CEIDRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160611558 367022814 /nfs/dbraw/zinc/02/28/14/367022814.db2.gz IMJQZOPIIDKSPX-YJYMSZOUSA-N 1 0 281.421 2.471 20 70 CEIDRO C[C@@H]([NH2+]CC(C)(C)O)c1cnn(Cc2ccccc2)c1 ZINC000160639440 367023888 /nfs/dbraw/zinc/02/38/88/367023888.db2.gz WABUXGAGRYCOAL-CYBMUJFWSA-N 1 0 273.380 2.353 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CSCc1c(C)noc1C ZINC000160408774 367003171 /nfs/dbraw/zinc/00/31/71/367003171.db2.gz VFZFZYAHXXAGJZ-UHFFFAOYSA-N 1 0 299.440 2.158 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000160940544 367046008 /nfs/dbraw/zinc/04/60/08/367046008.db2.gz VKIAZKFHVTUQBH-LSDHHAIUSA-N 1 0 260.381 2.437 20 70 CEIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)C[NH2+]C ZINC000161106457 367057980 /nfs/dbraw/zinc/05/79/80/367057980.db2.gz PUHHVJROFALPLI-ZFWWWQNUSA-N 1 0 262.397 2.322 20 70 CEIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000161167985 367064023 /nfs/dbraw/zinc/06/40/23/367064023.db2.gz LWWYQTYHDLOXCZ-NFAWXSAZSA-N 1 0 278.396 2.252 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCOc2cccc(F)c2)CC1 ZINC000161331412 367078066 /nfs/dbraw/zinc/07/80/66/367078066.db2.gz CDJNRGBGLMXFHK-UHFFFAOYSA-N 1 0 294.370 2.241 20 70 CEIDRO COCC[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160766714 367032554 /nfs/dbraw/zinc/03/25/54/367032554.db2.gz KVFJGARKQWBIGI-HOCLYGCPSA-N 1 0 290.407 2.365 20 70 CEIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000161425042 367085414 /nfs/dbraw/zinc/08/54/14/367085414.db2.gz ICPPTSTXVGGHFJ-CHWSQXEVSA-N 1 0 295.427 2.265 20 70 CEIDRO C[C@@H](NC1CC[NH+](C)CC1)c1cccnc1Cl ZINC000161453411 367087568 /nfs/dbraw/zinc/08/75/68/367087568.db2.gz GBMVQDZQDNJFOE-SNVBAGLBSA-N 1 0 253.777 2.480 20 70 CEIDRO CC(C)c1ncc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000161480422 367090541 /nfs/dbraw/zinc/09/05/41/367090541.db2.gz BQZSCIKWTXWLOR-LLVKDONJSA-N 1 0 281.425 2.433 20 70 CEIDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000217624057 370198448 /nfs/dbraw/zinc/19/84/48/370198448.db2.gz MGUWSMKWEFNHFL-UHFFFAOYSA-N 1 0 268.307 2.032 20 70 CEIDRO CC(=O)Nc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651643 370199538 /nfs/dbraw/zinc/19/95/38/370199538.db2.gz CREPVJBHWVZSKS-SJORKVTESA-N 1 0 287.407 2.361 20 70 CEIDRO CCc1ncnc(NCC2([NH+](C)C)CCCC2)c1F ZINC000217970108 370203369 /nfs/dbraw/zinc/20/33/69/370203369.db2.gz OACAKNUGRLVLQR-UHFFFAOYSA-N 1 0 266.364 2.464 20 70 CEIDRO CC1CCN(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000160680807 395061781 /nfs/dbraw/zinc/06/17/81/395061781.db2.gz YEKBJQQYYKKQLW-KBPBESRZSA-N 1 0 265.401 2.007 20 70 CEIDRO CC[C@@H](C)OCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000160271771 297433915 /nfs/dbraw/zinc/43/39/15/297433915.db2.gz SGZDTKUQSZCJGY-CQSZACIVSA-N 1 0 284.444 2.382 20 70 CEIDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159828176 162315086 /nfs/dbraw/zinc/31/50/86/162315086.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 1 0 290.455 2.470 20 70 CEIDRO Cc1nc2ccccn2c1C[NH2+]CC1(CO)CCCC1 ZINC000160118386 162321839 /nfs/dbraw/zinc/32/18/39/162321839.db2.gz RNDGKZREQZFPFF-UHFFFAOYSA-N 1 0 273.380 2.285 20 70 CEIDRO CC(C)Oc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000160038553 162323421 /nfs/dbraw/zinc/32/34/21/162323421.db2.gz KEBQNORBDRQCOM-DZGCQCFKSA-N 1 0 277.412 2.441 20 70 CEIDRO CCCCOC(=O)[C@H](C)N1CCC[C@H](n2cccn2)C1 ZINC000160252815 162325892 /nfs/dbraw/zinc/32/58/92/162325892.db2.gz YUIAREGFQVGFRT-KBPBESRZSA-N 1 0 279.384 2.252 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000161448720 275477985 /nfs/dbraw/zinc/47/79/85/275477985.db2.gz GYQOXWPVKLSLML-GPANFISMSA-N 1 0 288.391 2.027 20 70 CEIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000160362972 275707374 /nfs/dbraw/zinc/70/73/74/275707374.db2.gz WSNDDLQIQDHOGH-HUUCEWRRSA-N 1 0 282.428 2.086 20 70 CEIDRO CCC[C@@]1(C)CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000160934769 276036296 /nfs/dbraw/zinc/03/62/96/276036296.db2.gz KNZIXNQFWHPHJM-OCCSQVGLSA-N 1 0 272.458 2.496 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)N2CCC(C)CC2)CC1 ZINC000161379918 277024567 /nfs/dbraw/zinc/02/45/67/277024567.db2.gz OVPUBCZABNJCII-OOHWJJMZSA-N 1 0 295.471 2.144 20 70 CEIDRO CC(C)C[N@H+](CCCS(=O)(=O)C(C)C)C1CC1 ZINC000160755734 277379127 /nfs/dbraw/zinc/37/91/27/277379127.db2.gz XFPGXFVVCSQSAA-UHFFFAOYSA-N 1 0 261.431 2.320 20 70 CEIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@H](C)[NH3+])s2)c1 ZINC000160115635 280413049 /nfs/dbraw/zinc/41/30/49/280413049.db2.gz ORZSSQOKWGQCMF-VIFPVBQESA-N 1 0 276.365 2.108 20 70 CEIDRO COc1cccc([C@H](CNC(=O)C2(C)CC2)[NH+](C)C)c1 ZINC000159647822 297429503 /nfs/dbraw/zinc/42/95/03/297429503.db2.gz BSHPCYAOUAFVPP-AWEZNQCLSA-N 1 0 276.380 2.214 20 70 CEIDRO CC[C@H](C)OCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000160271854 297434081 /nfs/dbraw/zinc/43/40/81/297434081.db2.gz SGZDTKUQSZCJGY-AWEZNQCLSA-N 1 0 284.444 2.382 20 70 CEIDRO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1cccs1 ZINC000159539142 312632344 /nfs/dbraw/zinc/63/23/44/312632344.db2.gz VKYSKSZWTUXLFL-NSHDSACASA-N 1 0 266.410 2.404 20 70 CEIDRO CCCN(C(=O)C[NH2+]C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000160614316 500586208 /nfs/dbraw/zinc/58/62/08/500586208.db2.gz SVPZNLXNAOHBTR-ZIAGYGMSSA-N 1 0 282.428 2.182 20 70 CEIDRO CN(Cc1ccn(-c2ccccc2)n1)[C@H](C[NH3+])C1CC1 ZINC000160112600 500615378 /nfs/dbraw/zinc/61/53/78/500615378.db2.gz JQHHCONEXNLWJM-MRXNPFEDSA-N 1 0 270.380 2.041 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N[C@H]1COc2ccc(C)cc21 ZINC000160637103 520677625 /nfs/dbraw/zinc/67/76/25/520677625.db2.gz QMKJYOONWGVPNT-AWEZNQCLSA-N 1 0 291.395 2.070 20 70 CEIDRO CCOc1cc(Cl)ccc1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000161503881 520740563 /nfs/dbraw/zinc/74/05/63/520740563.db2.gz BYHYRZZWYQIKDA-CYBMUJFWSA-N 1 0 286.734 2.379 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000160499392 522391727 /nfs/dbraw/zinc/39/17/27/522391727.db2.gz XZLLBQYEMWTOTM-MCIONIFRSA-N 1 0 250.386 2.023 20 70 CEIDRO COC(=O)c1occc1CNCC1([NH+](C)C)CCCC1 ZINC000160681278 522414470 /nfs/dbraw/zinc/41/44/70/522414470.db2.gz OSKOYPNERIMTPE-UHFFFAOYSA-N 1 0 280.368 2.030 20 70 CEIDRO CC(C)(C[NH3+])C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159822059 527068555 /nfs/dbraw/zinc/06/85/55/527068555.db2.gz PXNMHFLETFYRNK-AWEZNQCLSA-N 1 0 260.381 2.109 20 70 CEIDRO [NH3+]CC1(C(=O)N2CCS[C@@H]3CCCC[C@H]32)CCCC1 ZINC000161428279 527161868 /nfs/dbraw/zinc/16/18/68/527161868.db2.gz ULMPYJCWEIIHGP-CHWSQXEVSA-N 1 0 282.453 2.392 20 70 CEIDRO CC(C)c1nccn1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159638627 528371440 /nfs/dbraw/zinc/37/14/40/528371440.db2.gz PIZDHTACAGYRCH-UHFFFAOYSA-N 1 0 292.427 2.174 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000160948602 574513092 /nfs/dbraw/zinc/51/30/92/574513092.db2.gz HPNPAQMBDNZGBI-UWVGGRQHSA-N 1 0 284.306 2.288 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC000160371919 282118401 /nfs/dbraw/zinc/11/84/01/282118401.db2.gz FQJLVCZGIJWIOG-DZGCQCFKSA-N 1 0 268.364 2.178 20 70 CEIDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000159895721 539278379 /nfs/dbraw/zinc/27/83/79/539278379.db2.gz XBUYBAQSNNROOJ-ZDUSSCGKSA-N 1 0 296.378 2.335 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000159366312 344454172 /nfs/dbraw/zinc/45/41/72/344454172.db2.gz YQHLFQLKOZRZBJ-CQSZACIVSA-N 1 0 281.396 2.139 20 70 CEIDRO CCOC(=O)C1CCC([NH2+]Cc2ccnn2CC)CC1 ZINC000160105044 344456784 /nfs/dbraw/zinc/45/67/84/344456784.db2.gz WVPDIIDESFQPAU-UHFFFAOYSA-N 1 0 279.384 2.115 20 70 CEIDRO CC1(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CCC1 ZINC000160830862 344461742 /nfs/dbraw/zinc/46/17/42/344461742.db2.gz CPEQSOJKIWHLAR-CQSZACIVSA-N 1 0 258.365 2.180 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC1(c2ccccc2F)CC1 ZINC000161225618 344463437 /nfs/dbraw/zinc/46/34/37/344463437.db2.gz VHVSDJQTXUSQTH-UHFFFAOYSA-N 1 0 264.344 2.319 20 70 CEIDRO COCCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CCC1 ZINC000159671784 232247955 /nfs/dbraw/zinc/24/79/55/232247955.db2.gz FSVPYRDUPAJNLB-UHFFFAOYSA-N 1 0 299.459 2.175 20 70 CEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000160621596 188483833 /nfs/dbraw/zinc/48/38/33/188483833.db2.gz RTWFHOPQXCNBOM-RRFJBIMHSA-N 1 0 294.439 2.325 20 70 CEIDRO CC[C@@H](NC(=O)CCC[NH3+])c1ccc(F)cc1F ZINC000161210982 188515461 /nfs/dbraw/zinc/51/54/61/188515461.db2.gz LXRHONVUNWIDSL-GFCCVEGCSA-N 1 0 256.296 2.271 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000161221153 188515740 /nfs/dbraw/zinc/51/57/40/188515740.db2.gz HSVREIXWBVMYEV-ZFWWWQNUSA-N 1 0 280.412 2.079 20 70 CEIDRO C[NH2+]CCNCc1ccc(Br)cc1Cl ZINC000161267761 188519350 /nfs/dbraw/zinc/51/93/50/188519350.db2.gz LFBLYBHMWJVQDP-UHFFFAOYSA-N 1 0 277.593 2.412 20 70 CEIDRO CN(C(=O)c1cccc2ncccc21)[C@@H](C[NH3+])C1CC1 ZINC000159865673 540104402 /nfs/dbraw/zinc/10/44/02/540104402.db2.gz JZSYQBUHLBXPJB-HNNXBMFYSA-N 1 0 269.348 2.044 20 70 CEIDRO CC(C)[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000159596305 540099600 /nfs/dbraw/zinc/09/96/00/540099600.db2.gz UCKQYVZZNBDJKS-JQWIXIFHSA-N 1 0 278.318 2.033 20 70 CEIDRO C[C@H](CNC(=O)c1ccc2c(c1)CCCN2)[NH+]1CCCC1 ZINC000161041589 540131571 /nfs/dbraw/zinc/13/15/71/540131571.db2.gz IDEOBDWQTYRYLH-CYBMUJFWSA-N 1 0 287.407 2.259 20 70 CEIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)sc1C ZINC000161379387 540137810 /nfs/dbraw/zinc/13/78/10/540137810.db2.gz MRHDLCDMUPKRTH-GHMZBOCLSA-N 1 0 252.383 2.365 20 70 CEIDRO C[C@H](CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000161105282 540725589 /nfs/dbraw/zinc/72/55/89/540725589.db2.gz WFPJEGLGOSNXFF-VNHYZAJKSA-N 1 0 287.407 2.317 20 70 CEIDRO O=C([C@@H](OC1CCCC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000159389169 366908421 /nfs/dbraw/zinc/90/84/21/366908421.db2.gz VZYDHVFMJZFIQK-INIZCTEOSA-N 1 0 288.391 2.119 20 70 CEIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000159442180 366913501 /nfs/dbraw/zinc/91/35/01/366913501.db2.gz RINNNDILLYZWPT-IUCAKERBSA-N 1 0 288.750 2.119 20 70 CEIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000159465574 366917060 /nfs/dbraw/zinc/91/70/60/366917060.db2.gz KESKYZCLJSBLPV-OAHLLOKOSA-N 1 0 276.355 2.415 20 70 CEIDRO CC(C)(C)CC[NH+]1CCN(CCOCC2CC2)CC1 ZINC000159509838 366920416 /nfs/dbraw/zinc/92/04/16/366920416.db2.gz QLMVZOCCUALXEV-UHFFFAOYSA-N 1 0 268.445 2.467 20 70 CEIDRO COc1ccc(-c2noc([C@H](C)N(C)C[C@@H](C)O)n2)cc1 ZINC000159510774 366921297 /nfs/dbraw/zinc/92/12/97/366921297.db2.gz NEOJFNTXYSTYSD-MNOVXSKESA-N 1 0 291.351 2.119 20 70 CEIDRO [NH3+][C@@H]1CC[C@@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000159759237 366946513 /nfs/dbraw/zinc/94/65/13/366946513.db2.gz DKSCWYHMLZKFCA-GHMZBOCLSA-N 1 0 262.328 2.058 20 70 CEIDRO CS[C@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000159643961 366935259 /nfs/dbraw/zinc/93/52/59/366935259.db2.gz RMLSHBGGQDMXBO-NEPJUHHUSA-N 1 0 275.462 2.013 20 70 CEIDRO c1nc2ccccn2c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159668946 366936855 /nfs/dbraw/zinc/93/68/55/366936855.db2.gz BSQAPSQCMZVGGR-IMJJTQAJSA-N 1 0 283.375 2.382 20 70 CEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccco1 ZINC000159686309 366938465 /nfs/dbraw/zinc/93/84/65/366938465.db2.gz QZRFQQNOINDJHK-JSGCOSHPSA-N 1 0 262.353 2.160 20 70 CEIDRO NC(=O)CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000159782485 366948042 /nfs/dbraw/zinc/94/80/42/366948042.db2.gz QXFIMOFQHATXSM-UHFFFAOYSA-N 1 0 286.375 2.050 20 70 CEIDRO CCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159982914 366963980 /nfs/dbraw/zinc/96/39/80/366963980.db2.gz ROKMBHNFCQPGKV-DZGCQCFKSA-N 1 0 275.396 2.168 20 70 CEIDRO O=C(C1CC[NH2+]CC1)N(CCc1cccc(F)c1)C1CC1 ZINC000160114516 366974780 /nfs/dbraw/zinc/97/47/80/366974780.db2.gz CKFWJNZRVWCAQJ-UHFFFAOYSA-N 1 0 290.382 2.359 20 70 CEIDRO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000160135128 366976429 /nfs/dbraw/zinc/97/64/29/366976429.db2.gz RVVSGSMFHZIPLF-GHMZBOCLSA-N 1 0 252.383 2.062 20 70 CEIDRO CC[C@@H](C(=O)NC[C@@H](C)Cc1cccs1)[NH+](C)C ZINC000160177773 366979438 /nfs/dbraw/zinc/97/94/38/366979438.db2.gz CWLHBPDRZDFKIU-AAEUAGOBSA-N 1 0 268.426 2.383 20 70 CEIDRO CCCCS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160180327 366979538 /nfs/dbraw/zinc/97/95/38/366979538.db2.gz FJDYXULZUSOYOP-AWEZNQCLSA-N 1 0 288.457 2.067 20 70 CEIDRO C[C@@H](C(=O)N1CCC[C@H]1C[NH3+])c1ccc(Cl)s1 ZINC000160185023 366980698 /nfs/dbraw/zinc/98/06/98/366980698.db2.gz VHSWZBMBOBIBCY-BDAKNGLRSA-N 1 0 272.801 2.455 20 70 CEIDRO C/C=C/C=C/C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160285431 366990372 /nfs/dbraw/zinc/99/03/72/366990372.db2.gz UMWCRJHPPRYVOX-GOZYHVSGSA-N 1 0 292.423 2.003 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CCc1ccc(OC(F)F)cc1 ZINC000160063262 366970563 /nfs/dbraw/zinc/97/05/63/366970563.db2.gz IJOGIPZXLBAJEI-UHFFFAOYSA-N 1 0 286.322 2.074 20 70 CEIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160585468 367019798 /nfs/dbraw/zinc/01/97/98/367019798.db2.gz HJWOFJZMPUUCGZ-OAGGEKHMSA-N 1 0 296.455 2.308 20 70 CEIDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O)c1C ZINC000160614045 367022517 /nfs/dbraw/zinc/02/25/17/367022517.db2.gz HLSMEEUNDUCEOI-GFCCVEGCSA-N 1 0 278.396 2.381 20 70 CEIDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c2ccccc12 ZINC000160371822 366999990 /nfs/dbraw/zinc/99/99/90/366999990.db2.gz MRJJSMVWHBYDFE-OAHLLOKOSA-N 1 0 284.359 2.298 20 70 CEIDRO Cc1occc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160480873 367009764 /nfs/dbraw/zinc/00/97/64/367009764.db2.gz UXJKDYSJXKVMDN-CYBMUJFWSA-N 1 0 264.369 2.438 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000160546524 367015430 /nfs/dbraw/zinc/01/54/30/367015430.db2.gz WHZAHFOOEHDSRF-LLVKDONJSA-N 1 0 280.799 2.343 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881325 367041533 /nfs/dbraw/zinc/04/15/33/367041533.db2.gz RLTHONDPQFZCPS-LLVKDONJSA-N 1 0 280.799 2.468 20 70 CEIDRO CNC(=O)CCC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161007727 367049324 /nfs/dbraw/zinc/04/93/24/367049324.db2.gz XLJFBROSVWVLLF-UHFFFAOYSA-N 1 0 276.380 2.026 20 70 CEIDRO COC(C[N@H+](C)[C@H](C)c1sc(C)nc1C)OC ZINC000161005442 367050187 /nfs/dbraw/zinc/05/01/87/367050187.db2.gz MTMWUXPOGIFENJ-SECBINFHSA-N 1 0 258.387 2.372 20 70 CEIDRO C1COC2(CCC([NH2+][C@H]3CCC[C@H]4OCC[C@@H]43)CC2)O1 ZINC000161033590 367051181 /nfs/dbraw/zinc/05/11/81/367051181.db2.gz RMUIPFIDOPIRDQ-QLFBSQMISA-N 1 0 281.396 2.219 20 70 CEIDRO COC(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)OC ZINC000161174256 367063987 /nfs/dbraw/zinc/06/39/87/367063987.db2.gz VIRHYLAWVJZZGA-CYBMUJFWSA-N 1 0 267.344 2.309 20 70 CEIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cccnc1 ZINC000161218782 367068360 /nfs/dbraw/zinc/06/83/60/367068360.db2.gz HPABFARAYOPZNZ-CYBMUJFWSA-N 1 0 287.363 2.454 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000161244791 367072042 /nfs/dbraw/zinc/07/20/42/367072042.db2.gz KHEKOVTYUOSAEA-GFCCVEGCSA-N 1 0 296.386 2.474 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000161283682 367074694 /nfs/dbraw/zinc/07/46/94/367074694.db2.gz JAHJUFALVWSTNQ-DOMZBBRYSA-N 1 0 278.371 2.215 20 70 CEIDRO CCOC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000161291088 367076132 /nfs/dbraw/zinc/07/61/32/367076132.db2.gz KLOQPVIKUMJYMH-ZFWWWQNUSA-N 1 0 267.369 2.133 20 70 CEIDRO O[C@@H](C1CC[NH+](C[C@H]2CCCCO2)CC1)C(F)(F)F ZINC000161314666 367076443 /nfs/dbraw/zinc/07/64/43/367076443.db2.gz UGPMSRACFHZEMR-NEPJUHHUSA-N 1 0 281.318 2.191 20 70 CEIDRO C[N@H+](CCNC(=O)[C@@H]1CC1(C)C)Cc1ccccc1 ZINC000160677002 367026735 /nfs/dbraw/zinc/02/67/35/367026735.db2.gz MAXDFSDTFJJHHP-AWEZNQCLSA-N 1 0 260.381 2.281 20 70 CEIDRO OCCN(CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000161325419 367078592 /nfs/dbraw/zinc/07/85/92/367078592.db2.gz XKRSSCKIQNAHRU-UHFFFAOYSA-N 1 0 276.424 2.357 20 70 CEIDRO Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)ccc1O ZINC000160688666 367028480 /nfs/dbraw/zinc/02/84/80/367028480.db2.gz KTQXHAIKFDXOPD-LBPRGKRZSA-N 1 0 280.393 2.076 20 70 CEIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000161417782 367084845 /nfs/dbraw/zinc/08/48/45/367084845.db2.gz MKADMQQPFRIYAQ-GFCCVEGCSA-N 1 0 289.379 2.331 20 70 CEIDRO CO[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000161412837 367085510 /nfs/dbraw/zinc/08/55/10/367085510.db2.gz XFPBDPPEAIHJDR-UONOGXRCSA-N 1 0 296.798 2.286 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@H](c2ccccc2OC)C1 ZINC000161439689 367086592 /nfs/dbraw/zinc/08/65/92/367086592.db2.gz KLAWNBIDYMNGTH-JSGCOSHPSA-N 1 0 276.380 2.139 20 70 CEIDRO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1O ZINC000217915118 370203331 /nfs/dbraw/zinc/20/33/31/370203331.db2.gz ALQOLQVXARLNGC-LSDHHAIUSA-N 1 0 290.407 2.317 20 70 CEIDRO COCCC1(C(=O)NCC2([NH3+])CCCCC2)CCCC1 ZINC000159729954 284855176 /nfs/dbraw/zinc/85/51/76/284855176.db2.gz LABVTRSKCYNJNR-UHFFFAOYSA-N 1 0 282.428 2.361 20 70 CEIDRO CC1=C(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCCO1 ZINC000159720730 395059571 /nfs/dbraw/zinc/05/95/71/395059571.db2.gz LLROANCKXZAIAB-UKRRQHHQSA-N 1 0 278.396 2.014 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000160973750 395062657 /nfs/dbraw/zinc/06/26/57/395062657.db2.gz ZLKOWEUQQFOGHU-ZDUSSCGKSA-N 1 0 262.353 2.015 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247497 395063756 /nfs/dbraw/zinc/06/37/56/395063756.db2.gz DXMDUMIERUDBIF-QKCSRTOESA-N 1 0 264.344 2.267 20 70 CEIDRO COc1cccc(F)c1[C@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161050898 400283761 /nfs/dbraw/zinc/28/37/61/400283761.db2.gz PPSCNOAFUABGGD-BONVTDFDSA-N 1 0 280.343 2.011 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc2c(c1)OCCO2 ZINC000217382136 153297251 /nfs/dbraw/zinc/29/72/51/153297251.db2.gz HRRNTKPVQKPTQE-ZDUSSCGKSA-N 1 0 278.396 2.278 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)on1 ZINC000161161105 286813618 /nfs/dbraw/zinc/81/36/18/286813618.db2.gz SDVAQJDTWTWURI-ZWNOBZJWSA-N 1 0 279.384 2.258 20 70 CEIDRO CC(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000159728297 162312867 /nfs/dbraw/zinc/31/28/67/162312867.db2.gz IDRKLMDAXSWMHU-OAHLLOKOSA-N 1 0 252.402 2.415 20 70 CEIDRO Cc1cnn(CCCCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000159791277 162315792 /nfs/dbraw/zinc/31/57/92/162315792.db2.gz HURRHYBNEGWHQM-OAHLLOKOSA-N 1 0 265.401 2.209 20 70 CEIDRO CCCOc1cccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159823082 162315863 /nfs/dbraw/zinc/31/58/63/162315863.db2.gz GCMCMPJLFZANCZ-OAHLLOKOSA-N 1 0 276.380 2.285 20 70 CEIDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159811189 162316348 /nfs/dbraw/zinc/31/63/48/162316348.db2.gz BXKICBVPWHROQL-QMMMGPOBSA-N 1 0 291.273 2.444 20 70 CEIDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c(F)cc1F ZINC000159861526 162317071 /nfs/dbraw/zinc/31/70/71/162317071.db2.gz OPBKUNWOABBQBH-ZDUSSCGKSA-N 1 0 268.307 2.083 20 70 CEIDRO Cc1ccc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160143904 162322770 /nfs/dbraw/zinc/32/27/70/162322770.db2.gz IEFLMNKGUSXFPY-OKILXGFUSA-N 1 0 258.365 2.270 20 70 CEIDRO COc1c(C[NH2+]CC2=Cc3ccccc3OC2)c(C)nn1C ZINC000160188322 162325681 /nfs/dbraw/zinc/32/56/81/162325681.db2.gz OUJBTFPPYBWLEB-UHFFFAOYSA-N 1 0 299.374 2.303 20 70 CEIDRO CC(C)CN(C)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160177920 270238380 /nfs/dbraw/zinc/23/83/80/270238380.db2.gz YFEUBJMBHSGHOW-INIZCTEOSA-N 1 0 289.423 2.342 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000160665909 276194198 /nfs/dbraw/zinc/19/41/98/276194198.db2.gz NKXGXSCOFWTNAR-KGLIPLIRSA-N 1 0 265.401 2.007 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386350 277991610 /nfs/dbraw/zinc/99/16/10/277991610.db2.gz HNZOCAPNRRFGDH-CZUORRHYSA-N 1 0 298.390 2.187 20 70 CEIDRO Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160125605 280095557 /nfs/dbraw/zinc/09/55/57/280095557.db2.gz FEEOTJXIIVXTGP-AWEZNQCLSA-N 1 0 295.814 2.256 20 70 CEIDRO c1cn(CCN2CCC[C@@H]([NH+]3CCCCCC3)C2)cn1 ZINC000159813933 280497188 /nfs/dbraw/zinc/49/71/88/280497188.db2.gz OUNKCQZRMVGROF-MRXNPFEDSA-N 1 0 276.428 2.224 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NCCCc1cccc(F)c1 ZINC000159451701 297428940 /nfs/dbraw/zinc/42/89/40/297428940.db2.gz OWDRTQNOMBQACI-UHFFFAOYSA-N 1 0 266.360 2.263 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159658733 297429680 /nfs/dbraw/zinc/42/96/80/297429680.db2.gz VYSITKCSOLBDRU-ZIAGYGMSSA-N 1 0 269.433 2.452 20 70 CEIDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000160123270 297433432 /nfs/dbraw/zinc/43/34/32/297433432.db2.gz YLQRJSHZIGHXMA-CYBMUJFWSA-N 1 0 298.427 2.138 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3ccccc31)CC2 ZINC000160477331 302682099 /nfs/dbraw/zinc/68/20/99/302682099.db2.gz HLCWTSLPKNMQLS-ZFWWWQNUSA-N 1 0 298.390 2.405 20 70 CEIDRO CSCc1cc(C(=O)NCC(C)(C)[NH3+])ccc1F ZINC000160028947 533830548 /nfs/dbraw/zinc/83/05/48/533830548.db2.gz SNAFTFKICVUPSK-UHFFFAOYSA-N 1 0 270.373 2.156 20 70 CEIDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000160833668 519807412 /nfs/dbraw/zinc/80/74/12/519807412.db2.gz WEMXNKMNPOCRQJ-WFASDCNBSA-N 1 0 290.398 2.367 20 70 CEIDRO CC1CCN(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000160549887 520982752 /nfs/dbraw/zinc/98/27/52/520982752.db2.gz GNGXJTZQNRECPQ-AWEZNQCLSA-N 1 0 265.401 2.008 20 70 CEIDRO CC[C@@H](COC)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160629802 522595688 /nfs/dbraw/zinc/59/56/88/522595688.db2.gz CLFDSCINWXADHC-KRWDZBQOSA-N 1 0 292.423 2.033 20 70 CEIDRO CCc1ccc(CC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000161128323 523906148 /nfs/dbraw/zinc/90/61/48/523906148.db2.gz JWBJZUZTHCVLMH-UHFFFAOYSA-N 1 0 286.419 2.346 20 70 CEIDRO C[C@H]([NH2+]CCOCCOc1ccccc1)c1cnn(C)c1 ZINC000160741938 525356867 /nfs/dbraw/zinc/35/68/67/525356867.db2.gz RCWHVSURIPQRSZ-AWEZNQCLSA-N 1 0 289.379 2.166 20 70 CEIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(-n2cncn2)cc1Cl ZINC000160630285 525417685 /nfs/dbraw/zinc/41/76/85/525417685.db2.gz JERQEPDIJXGLNZ-SNVBAGLBSA-N 1 0 294.786 2.342 20 70 CEIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160069982 529342955 /nfs/dbraw/zinc/34/29/55/529342955.db2.gz HDBGWBDRIFNRKM-GFCCVEGCSA-N 1 0 295.393 2.333 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccs1)CC2 ZINC000160368736 282125942 /nfs/dbraw/zinc/12/59/42/282125942.db2.gz JHKCXZPJBASKNC-GXSJLCMTSA-N 1 0 262.382 2.314 20 70 CEIDRO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160653064 344460694 /nfs/dbraw/zinc/46/06/94/344460694.db2.gz KATIKZINILXEJV-UKRRQHHQSA-N 1 0 279.428 2.302 20 70 CEIDRO CCCCSCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160805904 344461943 /nfs/dbraw/zinc/46/19/43/344461943.db2.gz YXHWRTDIGILRDF-VXGBXAGGSA-N 1 0 258.431 2.296 20 70 CEIDRO Cc1ccc(C(=O)CC[N@@H+](C)CCNC(=O)C(C)C)cc1 ZINC000161355088 232253497 /nfs/dbraw/zinc/25/34/97/232253497.db2.gz FQHSHBUWAKBODB-UHFFFAOYSA-N 1 0 290.407 2.272 20 70 CEIDRO COc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159752062 188439919 /nfs/dbraw/zinc/43/99/19/188439919.db2.gz CPRHKCGHDGRDCK-UHFFFAOYSA-N 1 0 262.353 2.087 20 70 CEIDRO Cc1cc(O[C@@H](C)C(=O)NCC(C)(C)[NH3+])ccc1Cl ZINC000160063399 188453840 /nfs/dbraw/zinc/45/38/40/188453840.db2.gz IPHMWFCKYVFWRU-JTQLQIEISA-N 1 0 284.787 2.269 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000160335396 188467211 /nfs/dbraw/zinc/46/72/11/188467211.db2.gz GLKQPXCLPXBISH-GFCCVEGCSA-N 1 0 286.297 2.198 20 70 CEIDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000160614941 188483647 /nfs/dbraw/zinc/48/36/47/188483647.db2.gz JEACVXGXNRDMCY-GFCCVEGCSA-N 1 0 278.396 2.327 20 70 CEIDRO COC(C)(C)C[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000160968541 188501400 /nfs/dbraw/zinc/50/14/00/188501400.db2.gz YGMHCFPUNLDJLT-STQMWFEESA-N 1 0 284.444 2.332 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000161163113 188512330 /nfs/dbraw/zinc/51/23/30/188512330.db2.gz FCJZMXAEEZFSDO-KFWWJZLASA-N 1 0 276.355 2.140 20 70 CEIDRO CC[NH2+]CCNCc1cc(F)ccc1Br ZINC000161299772 188521054 /nfs/dbraw/zinc/52/10/54/188521054.db2.gz CNKAUYAOMZQPJI-UHFFFAOYSA-N 1 0 275.165 2.287 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000161305588 188521063 /nfs/dbraw/zinc/52/10/63/188521063.db2.gz IGXRMQIDKCYHNQ-RHSMWYFYSA-N 1 0 298.386 2.408 20 70 CEIDRO Cc1cccc(C(=O)NCCC[NH+]2CCCC2)c1F ZINC000161416255 188526502 /nfs/dbraw/zinc/52/65/02/188526502.db2.gz ONGOLXUCZQVPQW-UHFFFAOYSA-N 1 0 264.344 2.350 20 70 CEIDRO CC(C)Oc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161337567 188522448 /nfs/dbraw/zinc/52/24/48/188522448.db2.gz PQOCKQNXRSRLTN-QGZVFWFLSA-N 1 0 290.407 2.480 20 70 CEIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000160199506 540113500 /nfs/dbraw/zinc/11/35/00/540113500.db2.gz VWDMXMJQYRTOGQ-GFCCVEGCSA-N 1 0 287.787 2.094 20 70 CEIDRO CCCn1nccc1C[NH2+]CC1(CO)CCCCC1 ZINC000160197660 540113544 /nfs/dbraw/zinc/11/35/44/540113544.db2.gz YZWOTKAKMPFSLB-UHFFFAOYSA-N 1 0 265.401 2.326 20 70 CEIDRO COc1ccc(CCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160886770 540126377 /nfs/dbraw/zinc/12/63/77/540126377.db2.gz DTYUHTBSOLLZFW-GJZGRUSLSA-N 1 0 290.407 2.404 20 70 CEIDRO Cc1c(Cl)cccc1OCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161459869 540138340 /nfs/dbraw/zinc/13/83/40/540138340.db2.gz KSPQYYVNAFRZRB-RYUDHWBXSA-N 1 0 296.798 2.413 20 70 CEIDRO O=C(c1cc2ccc(F)cc2s1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000161211815 540135435 /nfs/dbraw/zinc/13/54/35/540135435.db2.gz YDEKSGCEZORRDK-PHIMTYICSA-N 1 0 290.363 2.332 20 70 CEIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cncnc1 ZINC000159368664 540404659 /nfs/dbraw/zinc/40/46/59/540404659.db2.gz XCZFVCNTEFQVOU-UHFFFAOYSA-N 1 0 284.407 2.477 20 70 CEIDRO CC[NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000216815172 540415104 /nfs/dbraw/zinc/41/51/04/540415104.db2.gz NBQGJGLSRLJJHF-OWWVKFPZSA-N 1 0 250.386 2.069 20 70 CEIDRO C[C@@H](CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000160823159 540664786 /nfs/dbraw/zinc/66/47/86/540664786.db2.gz MVOPRFHVFDZXRU-ZFWWWQNUSA-N 1 0 275.396 2.128 20 70 CEIDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCCS(C)(=O)=O ZINC000161370484 540804336 /nfs/dbraw/zinc/80/43/36/540804336.db2.gz IJDWIFZYGKCITD-QWHCGFSZSA-N 1 0 261.431 2.322 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159694456 366940078 /nfs/dbraw/zinc/94/00/78/366940078.db2.gz NPCXBYWMLRWVHZ-DGCLKSJQSA-N 1 0 271.364 2.254 20 70 CEIDRO COCCC[N@H+](C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159688790 366940209 /nfs/dbraw/zinc/94/02/09/366940209.db2.gz QYVRTRKHLONFRZ-OAHLLOKOSA-N 1 0 276.380 2.069 20 70 CEIDRO COc1cccc(CCC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159706119 366941467 /nfs/dbraw/zinc/94/14/67/366941467.db2.gz IVDZHVFMXRXXGY-UHFFFAOYSA-N 1 0 290.407 2.406 20 70 CEIDRO Cc1ccc(F)c(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159726153 366943284 /nfs/dbraw/zinc/94/32/84/366943284.db2.gz ORVBEVFELKONQU-UHFFFAOYSA-N 1 0 264.344 2.222 20 70 CEIDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000159481280 366918178 /nfs/dbraw/zinc/91/81/78/366918178.db2.gz KLKJNFOCCSDSGL-MNOVXSKESA-N 1 0 288.326 2.077 20 70 CEIDRO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000159493232 366919917 /nfs/dbraw/zinc/91/99/17/366919917.db2.gz ISAICMAMDRCBOB-GHMZBOCLSA-N 1 0 282.334 2.184 20 70 CEIDRO O=C(CCCc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159491591 366919991 /nfs/dbraw/zinc/91/99/91/366919991.db2.gz MLBKZVLAPXVOQV-IYBDPMFKSA-N 1 0 272.392 2.362 20 70 CEIDRO COc1ccc(-c2noc([C@H](C)N(C)C[C@H](C)O)n2)cc1 ZINC000159510642 366920486 /nfs/dbraw/zinc/92/04/86/366920486.db2.gz NEOJFNTXYSTYSD-QWRGUYRKSA-N 1 0 291.351 2.119 20 70 CEIDRO Cc1cccc(C(C)(C)NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000159645656 366935670 /nfs/dbraw/zinc/93/56/70/366935670.db2.gz PKEYWRXKURXCNY-CQSZACIVSA-N 1 0 260.381 2.488 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159806729 366948921 /nfs/dbraw/zinc/94/89/21/366948921.db2.gz CTAGOSLSSROZLE-ONGXEEELSA-N 1 0 252.745 2.003 20 70 CEIDRO C[C@]1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC[NH2+]C1 ZINC000159821503 366951699 /nfs/dbraw/zinc/95/16/99/366951699.db2.gz XGTOOQNDZMESBE-RDJZCZTQSA-N 1 0 272.392 2.124 20 70 CEIDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1F ZINC000159835654 366952729 /nfs/dbraw/zinc/95/27/29/366952729.db2.gz HEGLCLYPWZBCAX-UHFFFAOYSA-N 1 0 264.344 2.222 20 70 CEIDRO CN(CCC(=O)Nc1ccccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160071553 366969666 /nfs/dbraw/zinc/96/96/66/366969666.db2.gz VTRKGERAUJIGAB-AWEZNQCLSA-N 1 0 295.814 2.338 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccccc1 ZINC000159949442 366960772 /nfs/dbraw/zinc/96/07/72/366960772.db2.gz LXBBBLVYOSXDEK-ZENOOKHLSA-N 1 0 274.364 2.158 20 70 CEIDRO [NH3+]CCCNC(=O)CCCCCc1cccs1 ZINC000160037720 366966971 /nfs/dbraw/zinc/96/69/71/366966971.db2.gz BIKSWTMLECDUJX-UHFFFAOYSA-N 1 0 254.399 2.316 20 70 CEIDRO CCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160087225 366971834 /nfs/dbraw/zinc/97/18/34/366971834.db2.gz HAFFHJBFNVPPNW-ZFWWWQNUSA-N 1 0 275.396 2.311 20 70 CEIDRO Cc1nc(Cl)ccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160136899 366976524 /nfs/dbraw/zinc/97/65/24/366976524.db2.gz KCGWKYKJONLTHJ-LLVKDONJSA-N 1 0 293.798 2.258 20 70 CEIDRO COc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160216583 366983557 /nfs/dbraw/zinc/98/35/57/366983557.db2.gz JXDBSWSRZWXDMF-ZFWWWQNUSA-N 1 0 298.390 2.418 20 70 CEIDRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)C1CCOCC1 ZINC000160215830 366983937 /nfs/dbraw/zinc/98/39/37/366983937.db2.gz OOVBYPIWTWZFEU-OAHLLOKOSA-N 1 0 296.455 2.287 20 70 CEIDRO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160276650 366988910 /nfs/dbraw/zinc/98/89/10/366988910.db2.gz QRMSIFVVAVLFDT-HIFRSBDPSA-N 1 0 299.484 2.303 20 70 CEIDRO C[C@@H]1[C@H](C)OCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160284159 366990560 /nfs/dbraw/zinc/99/05/60/366990560.db2.gz DZQWTLJWFSRKES-KGLIPLIRSA-N 1 0 296.455 2.380 20 70 CEIDRO Cc1cccc2nc(C[NH2+][C@H](C)[C@@H]3CCOC3)cn21 ZINC000160298350 366992192 /nfs/dbraw/zinc/99/21/92/366992192.db2.gz XPLVDYJXGDVDNW-CHWSQXEVSA-N 1 0 259.353 2.157 20 70 CEIDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc(C)c1OC(F)F ZINC000160307505 366993740 /nfs/dbraw/zinc/99/37/40/366993740.db2.gz ZPTHRHXHDGDKLG-LLVKDONJSA-N 1 0 284.306 2.078 20 70 CEIDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc(C)c1OC(F)F ZINC000160322559 366994998 /nfs/dbraw/zinc/99/49/98/366994998.db2.gz RQAIJWOKQVCTER-LBPRGKRZSA-N 1 0 298.333 2.355 20 70 CEIDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1NC(C)=O ZINC000160637331 367024041 /nfs/dbraw/zinc/02/40/41/367024041.db2.gz UFHNQKJJJIGEHO-JTQLQIEISA-N 1 0 280.368 2.075 20 70 CEIDRO COCCCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160354254 366998174 /nfs/dbraw/zinc/99/81/74/366998174.db2.gz VQLWABOHAWDJTB-UHFFFAOYSA-N 1 0 299.459 2.176 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000160514329 367012219 /nfs/dbraw/zinc/01/22/19/367012219.db2.gz PCYIQKBMDOQMOE-CYBMUJFWSA-N 1 0 266.772 2.093 20 70 CEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000160521497 367014168 /nfs/dbraw/zinc/01/41/68/367014168.db2.gz SFNCYZXAYSSGPS-OLZOCXBDSA-N 1 0 285.432 2.225 20 70 CEIDRO CC[NH+](CC)CCNC(=O)NC1(c2cccc(F)c2)CC1 ZINC000160843960 367038820 /nfs/dbraw/zinc/03/88/20/367038820.db2.gz YZRCWGPQZIGXQN-UHFFFAOYSA-N 1 0 293.386 2.456 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160890393 367040847 /nfs/dbraw/zinc/04/08/47/367040847.db2.gz NMDVLVMDBGRXNO-DYEKYZERSA-N 1 0 280.437 2.375 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160907189 367042122 /nfs/dbraw/zinc/04/21/22/367042122.db2.gz MDCBFHJFJRMUED-AEGPPILISA-N 1 0 292.448 2.471 20 70 CEIDRO CC(C)C[C@H]([NH2+]CC(=O)NC(C)C)c1ccccn1 ZINC000160915417 367042308 /nfs/dbraw/zinc/04/23/08/367042308.db2.gz MMSXTJGLANCKNJ-AWEZNQCLSA-N 1 0 263.385 2.283 20 70 CEIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc2c(c1)OCCO2 ZINC000160932238 367043922 /nfs/dbraw/zinc/04/39/22/367043922.db2.gz JQLRQCAANPZMKM-CYBMUJFWSA-N 1 0 292.379 2.023 20 70 CEIDRO CS[C@@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160926293 367043973 /nfs/dbraw/zinc/04/39/73/367043973.db2.gz HTHIXQHKZJNSHE-HIFPTAJRSA-N 1 0 287.473 2.158 20 70 CEIDRO Cc1c(NC(=O)C2([NH3+])CC2)sc2c1CCCC2 ZINC000160985942 367048119 /nfs/dbraw/zinc/04/81/19/367048119.db2.gz WIMWJKUYYOZTFH-UHFFFAOYSA-N 1 0 250.367 2.365 20 70 CEIDRO COc1ccc(OCC[N@H+](C)[C@H]2CCCC[C@@H]2O)cc1 ZINC000161077858 367055178 /nfs/dbraw/zinc/05/51/78/367055178.db2.gz WRNKBRBLVOJYIA-HOTGVXAUSA-N 1 0 279.380 2.309 20 70 CEIDRO C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)NCc1ccccc1 ZINC000161187470 367065069 /nfs/dbraw/zinc/06/50/69/367065069.db2.gz CRMFCCIKONSRJV-STQMWFEESA-N 1 0 260.381 2.470 20 70 CEIDRO CCc1cccc(NC(=O)CN2CCC(C)(O)CC2)c1 ZINC000161199539 367067226 /nfs/dbraw/zinc/06/72/26/367067226.db2.gz RQTXEZBKTUOKQU-UHFFFAOYSA-N 1 0 276.380 2.034 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(OCC(C)C)CC1 ZINC000161189983 367067406 /nfs/dbraw/zinc/06/74/06/367067406.db2.gz LHUJJOKZLKIQKX-UHFFFAOYSA-N 1 0 284.444 2.415 20 70 CEIDRO O[C@@H](C1CC[NH+](CCc2ccncc2)CC1)C(F)(F)F ZINC000161236580 367070624 /nfs/dbraw/zinc/07/06/24/367070624.db2.gz SEZDFKLWCCNVIO-ZDUSSCGKSA-N 1 0 288.313 2.259 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(C)c(OC)c1 ZINC000161229665 367070768 /nfs/dbraw/zinc/07/07/68/367070768.db2.gz CKOQFCUZGUSOPY-UHFFFAOYSA-N 1 0 292.423 2.427 20 70 CEIDRO Cc1cccc2c(CCC(=O)NC[C@@H]3CC[N@@H+](C)C3)c[nH]c21 ZINC000161308621 367076682 /nfs/dbraw/zinc/07/66/82/367076682.db2.gz MEWPAMHKPPQPOU-AWEZNQCLSA-N 1 0 299.418 2.477 20 70 CEIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cn1 ZINC000161323937 367078690 /nfs/dbraw/zinc/07/86/90/367078690.db2.gz ATARBMAXBUDSGY-ZDUSSCGKSA-N 1 0 294.362 2.217 20 70 CEIDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000217550104 370196290 /nfs/dbraw/zinc/19/62/90/370196290.db2.gz KWRPVOBNYWOCGE-STQMWFEESA-N 1 0 262.397 2.396 20 70 CEIDRO COc1ccc(OC)c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217695438 370200500 /nfs/dbraw/zinc/20/05/00/370200500.db2.gz NCQNNKKFVAWBRG-HOTGVXAUSA-N 1 0 290.407 2.420 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1SCCc2sccc21 ZINC000160363649 395060662 /nfs/dbraw/zinc/06/06/62/395060662.db2.gz BVMJGJCRTVZWGU-CABZTGNLSA-N 1 0 282.434 2.028 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000160913864 395061835 /nfs/dbraw/zinc/06/18/35/395061835.db2.gz DVTZRBICQXVFAH-CYBMUJFWSA-N 1 0 262.397 2.467 20 70 CEIDRO CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000217198019 400307193 /nfs/dbraw/zinc/30/71/93/400307193.db2.gz WPJBPXZHQMKPKX-GJZGRUSLSA-N 1 0 284.444 2.260 20 70 CEIDRO Cn1c2ccccc2nc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218109736 400308557 /nfs/dbraw/zinc/30/85/57/400308557.db2.gz JMNKWUWSPDNZRL-BBRMVZONSA-N 1 0 284.407 2.290 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc2c(c1)OCCO2 ZINC000217382052 153297771 /nfs/dbraw/zinc/29/77/71/153297771.db2.gz HRRNTKPVQKPTQE-CYBMUJFWSA-N 1 0 278.396 2.278 20 70 CEIDRO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H]1COc1ccccc1 ZINC000159846786 162316858 /nfs/dbraw/zinc/31/68/58/162316858.db2.gz PZSPCVBGBXQDMH-GJZGRUSLSA-N 1 0 288.391 2.056 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000159825692 162317183 /nfs/dbraw/zinc/31/71/83/162317183.db2.gz KCUDQDUQFIZOEV-HOTGVXAUSA-N 1 0 272.392 2.266 20 70 CEIDRO COc1cc(CN2CCCC[C@@H]2CC[NH3+])cc2c1OCO2 ZINC000159983821 162319882 /nfs/dbraw/zinc/31/98/82/162319882.db2.gz WDELEJUQKFLIGU-CYBMUJFWSA-N 1 0 292.379 2.127 20 70 CEIDRO O=C(/C=C/c1c(F)cccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160027021 162322976 /nfs/dbraw/zinc/32/29/76/162322976.db2.gz YDMYBAAJLUEQAT-GRPTYIHUSA-N 1 0 292.329 2.331 20 70 CEIDRO C[C@H](CC[NH+](C)C)Nc1nnc(C(F)(F)F)s1 ZINC000160167462 162324138 /nfs/dbraw/zinc/32/41/38/162324138.db2.gz NWIRVHJJZDVMNZ-ZCFIWIBFSA-N 1 0 268.308 2.309 20 70 CEIDRO Cc1nccn1CCCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000161450761 162328474 /nfs/dbraw/zinc/32/84/74/162328474.db2.gz UCNXLJBOOUIAFQ-OAHLLOKOSA-N 1 0 265.401 2.473 20 70 CEIDRO C[C@@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160133309 261205746 /nfs/dbraw/zinc/20/57/46/261205746.db2.gz APCZUJATJHXKST-JSGCOSHPSA-N 1 0 278.371 2.215 20 70 CEIDRO CC[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159816451 276404046 /nfs/dbraw/zinc/40/40/46/276404046.db2.gz UESAKTRRUHKKNR-CABCVRRESA-N 1 0 260.381 2.376 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000161421760 277029949 /nfs/dbraw/zinc/02/99/49/277029949.db2.gz AKSPTQUJNFJJSU-KCQAQPDRSA-N 1 0 260.381 2.247 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161009875 279392327 /nfs/dbraw/zinc/39/23/27/279392327.db2.gz SBANHLFJQMGXIT-CABZTGNLSA-N 1 0 284.812 2.304 20 70 CEIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[C@H]1CCOC1 ZINC000160565003 279474968 /nfs/dbraw/zinc/47/49/68/279474968.db2.gz OCDNZRYJFODTHD-AVGNSLFASA-N 1 0 274.364 2.127 20 70 CEIDRO O=C(NCC[C@@H]1CC[NH2+]C1)C1C2CC3CC(C2)CC1C3 ZINC000160198339 295653161 /nfs/dbraw/zinc/65/31/61/295653161.db2.gz RHAPUHFOGDTDSD-MGWQBKBZSA-N 1 0 276.424 2.175 20 70 CEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC1(C2CC2)CC1 ZINC000159616247 297429305 /nfs/dbraw/zinc/42/93/05/297429305.db2.gz OOJWFPSIBQMAHE-CYBMUJFWSA-N 1 0 279.428 2.350 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000159644393 297429675 /nfs/dbraw/zinc/42/96/75/297429675.db2.gz FCDYJGJIUMHPKR-QWHCGFSZSA-N 1 0 255.406 2.016 20 70 CEIDRO Cc1ccc(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1C ZINC000159819013 297431026 /nfs/dbraw/zinc/43/10/26/297431026.db2.gz YKBRBWCUPWLUPG-HNNXBMFYSA-N 1 0 260.381 2.042 20 70 CEIDRO CN(C(=O)/C=C/c1ccc(F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159893831 312634633 /nfs/dbraw/zinc/63/46/33/312634633.db2.gz CMMHCFJATOGCLV-MDDUGHTDSA-N 1 0 262.328 2.035 20 70 CEIDRO COC(=O)c1ccc([C@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000217369249 329437176 /nfs/dbraw/zinc/43/71/76/329437176.db2.gz RURNEPPSKXOBGW-QWHCGFSZSA-N 1 0 292.379 2.297 20 70 CEIDRO C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000160282025 534292913 /nfs/dbraw/zinc/29/29/13/534292913.db2.gz XSSBPQXHPFKDEP-NWDGAFQWSA-N 1 0 266.410 2.262 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@H]2CCN(C3CCCC3)C2)CC1 ZINC000161446842 519645938 /nfs/dbraw/zinc/64/59/38/519645938.db2.gz WVQCTYMRBAPSPR-GPANFISMSA-N 1 0 293.455 2.040 20 70 CEIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cnn(C)c1 ZINC000160908415 519720900 /nfs/dbraw/zinc/72/09/00/519720900.db2.gz VCOUJZIKRGCOBR-AWEZNQCLSA-N 1 0 293.415 2.052 20 70 CEIDRO CCC[C@@](C)(NCCC[NH+]1CCCCC1)C(=O)OC ZINC000161364237 520924800 /nfs/dbraw/zinc/92/48/00/520924800.db2.gz JHPMEPDNICKOIM-OAHLLOKOSA-N 1 0 270.417 2.184 20 70 CEIDRO CCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1OC ZINC000161155114 520999495 /nfs/dbraw/zinc/99/94/95/520999495.db2.gz ACCGNYDUPBVQRE-NSHDSACASA-N 1 0 267.369 2.343 20 70 CEIDRO COC(C[NH+]1CCC(OC2CCCC2)CC1)OC ZINC000160769885 522530886 /nfs/dbraw/zinc/53/08/86/522530886.db2.gz WWQMHLUNVKLBBG-UHFFFAOYSA-N 1 0 257.374 2.029 20 70 CEIDRO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000161337072 524346322 /nfs/dbraw/zinc/34/63/22/524346322.db2.gz MENGREFRHAQOIG-RDBSUJKOSA-N 1 0 264.413 2.413 20 70 CEIDRO C[C@@H](Cc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160617811 524919792 /nfs/dbraw/zinc/91/97/92/524919792.db2.gz MQHMBUHCQRTADV-AEGPPILISA-N 1 0 290.382 2.357 20 70 CEIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000160399799 525641169 /nfs/dbraw/zinc/64/11/69/525641169.db2.gz UPYFSEWUCZTTOE-ZYHUDNBSSA-N 1 0 283.393 2.180 20 70 CEIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cc(F)cc1F ZINC000161330700 526537372 /nfs/dbraw/zinc/53/73/72/526537372.db2.gz PTKIBBSRQUFZCJ-VIFPVBQESA-N 1 0 298.308 2.318 20 70 CEIDRO CCSCC[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000160489887 529179344 /nfs/dbraw/zinc/17/93/44/529179344.db2.gz JVFONALHXGMHKK-UHFFFAOYSA-N 1 0 283.441 2.162 20 70 CEIDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCn2ccnc2)C1 ZINC000159859973 529221672 /nfs/dbraw/zinc/22/16/72/529221672.db2.gz STUQEOMBIDKMRE-QWHCGFSZSA-N 1 0 253.415 2.489 20 70 CEIDRO C[C@@H](CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000160822871 539279064 /nfs/dbraw/zinc/27/90/64/539279064.db2.gz MVOPRFHVFDZXRU-DZGCQCFKSA-N 1 0 275.396 2.128 20 70 CEIDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000159495481 344454909 /nfs/dbraw/zinc/45/49/09/344454909.db2.gz SLMSVFPIGYACHE-WCQYABFASA-N 1 0 278.421 2.452 20 70 CEIDRO CC(C)CN(CC(C)C)C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159512949 344455085 /nfs/dbraw/zinc/45/50/85/344455085.db2.gz HAAOZXUQJCEXRL-CVEARBPZSA-N 1 0 298.471 2.220 20 70 CEIDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCSCC)C1 ZINC000159885268 344456369 /nfs/dbraw/zinc/45/63/69/344456369.db2.gz KSZDUXONGFGAJP-CYBMUJFWSA-N 1 0 272.458 2.368 20 70 CEIDRO CCn1nccc1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000160161557 344457659 /nfs/dbraw/zinc/45/76/59/344457659.db2.gz OJRHPUGOHLBLSP-UHFFFAOYSA-N 1 0 265.401 2.324 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000160239096 344457735 /nfs/dbraw/zinc/45/77/35/344457735.db2.gz PBGQMOZESYDMPD-LBPRGKRZSA-N 1 0 287.787 2.094 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000160255205 344458458 /nfs/dbraw/zinc/45/84/58/344458458.db2.gz CCPGUOBKAFGGFZ-CQSZACIVSA-N 1 0 281.396 2.058 20 70 CEIDRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000159690217 232247990 /nfs/dbraw/zinc/24/79/90/232247990.db2.gz BROHBLQHQMSIOD-GXSJLCMTSA-N 1 0 290.260 2.155 20 70 CEIDRO CC(C)c1ccccc1OCCNC(=O)[C@H]([NH3+])C(C)C ZINC000159840557 188443880 /nfs/dbraw/zinc/44/38/80/188443880.db2.gz OPAGMGCXFTVYKP-OAHLLOKOSA-N 1 0 278.396 2.288 20 70 CEIDRO CC[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160478780 188475757 /nfs/dbraw/zinc/47/57/57/188475757.db2.gz HCGAXJFQFKCWQL-AWEZNQCLSA-N 1 0 262.397 2.407 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000160378629 188468884 /nfs/dbraw/zinc/46/88/84/188468884.db2.gz FMOJZCHXHIVTRR-AWEZNQCLSA-N 1 0 288.391 2.011 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 ZINC000160603943 188483216 /nfs/dbraw/zinc/48/32/16/188483216.db2.gz PUIXFSKQYNSVND-ZDUSSCGKSA-N 1 0 287.338 2.116 20 70 CEIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000160905435 188497097 /nfs/dbraw/zinc/49/70/97/188497097.db2.gz POVIHYNDLUOMCX-SNPRPXQTSA-N 1 0 258.365 2.143 20 70 CEIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000161170397 188512665 /nfs/dbraw/zinc/51/26/65/188512665.db2.gz XIQRHKFWYBXXMI-ZFWWWQNUSA-N 1 0 260.381 2.214 20 70 CEIDRO COC[C@H]([NH2+][C@H](CCO)c1ccccc1)C(C)C ZINC000161067590 188506180 /nfs/dbraw/zinc/50/61/80/188506180.db2.gz KVDRSTAIKKFWOT-CABCVRRESA-N 1 0 251.370 2.371 20 70 CEIDRO COc1ccccc1CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161223321 188516477 /nfs/dbraw/zinc/51/64/77/188516477.db2.gz GMHBSWALXDAPAZ-UHFFFAOYSA-N 1 0 290.407 2.275 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC000160741420 540121366 /nfs/dbraw/zinc/12/13/66/540121366.db2.gz CXGCVFWSRNUHBH-AWEZNQCLSA-N 1 0 276.355 2.068 20 70 CEIDRO CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160793740 540122937 /nfs/dbraw/zinc/12/29/37/540122937.db2.gz WSWXQEVONQZJIC-SCRDCRAPSA-N 1 0 268.401 2.110 20 70 CEIDRO C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCOCC1 ZINC000160827315 540124450 /nfs/dbraw/zinc/12/44/50/540124450.db2.gz SREMOHYVGRVPIX-YGRLFVJLSA-N 1 0 296.798 2.271 20 70 CEIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000160909576 540127686 /nfs/dbraw/zinc/12/76/86/540127686.db2.gz PSJXRIULYCFYMJ-UONOGXRCSA-N 1 0 298.390 2.180 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccccc2F)C1 ZINC000161133115 540133536 /nfs/dbraw/zinc/13/35/36/540133536.db2.gz YWTPOXOFBWIOGS-QWHCGFSZSA-N 1 0 264.344 2.144 20 70 CEIDRO Cc1ccc(CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161123967 540133562 /nfs/dbraw/zinc/13/35/62/540133562.db2.gz NEWQCWZHLNMTCQ-CABCVRRESA-N 1 0 260.381 2.314 20 70 CEIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000161379140 540137610 /nfs/dbraw/zinc/13/76/10/540137610.db2.gz MRHDLCDMUPKRTH-WDEREUQCSA-N 1 0 252.383 2.365 20 70 CEIDRO Cc1nc(CCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000161194982 540135270 /nfs/dbraw/zinc/13/52/70/540135270.db2.gz WFOSTWQHFOFART-NWDGAFQWSA-N 1 0 281.425 2.160 20 70 CEIDRO CCn1nccc1C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000159925441 540440218 /nfs/dbraw/zinc/44/02/18/540440218.db2.gz HIGLOKNEOSGVFC-UHFFFAOYSA-N 1 0 263.316 2.341 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@H]1CCc2ccccc21 ZINC000159729182 366942928 /nfs/dbraw/zinc/94/29/28/366942928.db2.gz QHEFAOPOSVSQQL-CQSZACIVSA-N 1 0 260.381 2.221 20 70 CEIDRO CC(C)[C@H](CC1CCCC1)C(=O)N1CC[NH2+]CC1 ZINC000159377069 366907177 /nfs/dbraw/zinc/90/71/77/366907177.db2.gz SIXZXRZZGOGEKH-AWEZNQCLSA-N 1 0 252.402 2.271 20 70 CEIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cnccn1 ZINC000159375148 366907251 /nfs/dbraw/zinc/90/72/51/366907251.db2.gz LRXQGTFJFUUWBM-GXTWGEPZSA-N 1 0 251.374 2.314 20 70 CEIDRO CCc1cccc2c(CCNC(=O)C3CC[NH2+]CC3)c[nH]c21 ZINC000159371409 366907931 /nfs/dbraw/zinc/90/79/31/366907931.db2.gz UYDLXINWHWKYNP-UHFFFAOYSA-N 1 0 299.418 2.389 20 70 CEIDRO CCc1cccc2c(CCNC(=O)[C@@H]([NH3+])CC)c[nH]c21 ZINC000159373541 366907961 /nfs/dbraw/zinc/90/79/61/366907961.db2.gz DQLQBPLWVZWROT-AWEZNQCLSA-N 1 0 273.380 2.126 20 70 CEIDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159428990 366911631 /nfs/dbraw/zinc/91/16/31/366911631.db2.gz YGMFJWUOMXZVNZ-HZSPNIEDSA-N 1 0 292.423 2.127 20 70 CEIDRO CCC[N@H+](CCCc1cccc(OC)c1)CC(=O)N(C)C ZINC000159497535 366919899 /nfs/dbraw/zinc/91/98/99/366919899.db2.gz NKCDEGNYMZHLCQ-UHFFFAOYSA-N 1 0 292.423 2.428 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)NCCc1c[nH]c2c1cccc2C ZINC000159560198 366926809 /nfs/dbraw/zinc/92/68/09/366926809.db2.gz FJRPSCUIQPKWEN-AWEZNQCLSA-N 1 0 273.380 2.262 20 70 CEIDRO [NH3+][C@H]1CC[C@@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000159758985 366946658 /nfs/dbraw/zinc/94/66/58/366946658.db2.gz DKSCWYHMLZKFCA-MNOVXSKESA-N 1 0 262.328 2.058 20 70 CEIDRO Cc1cccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1C ZINC000159583894 366929571 /nfs/dbraw/zinc/92/95/71/366929571.db2.gz XXVVONFOGGJDBR-WFASDCNBSA-N 1 0 260.381 2.389 20 70 CEIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000159625745 366932744 /nfs/dbraw/zinc/93/27/44/366932744.db2.gz OLAWXDPYEUIEGO-PHIMTYICSA-N 1 0 250.367 2.023 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2cccs2)CC1 ZINC000159640698 366934066 /nfs/dbraw/zinc/93/40/66/366934066.db2.gz LKLFMKZKJUMHRA-CYBMUJFWSA-N 1 0 295.452 2.416 20 70 CEIDRO Cc1c([C@H](C)[NH2+]CCO)cnn1-c1cc(C)ccc1C ZINC000159677050 366938497 /nfs/dbraw/zinc/93/84/97/366938497.db2.gz XTMXVCHDNGDXQG-ZDUSSCGKSA-N 1 0 273.380 2.440 20 70 CEIDRO CC[N@H+](C)CCNc1ccncc1Br ZINC000159841109 366953834 /nfs/dbraw/zinc/95/38/34/366953834.db2.gz CCXYZWJSMXSUPQ-UHFFFAOYSA-N 1 0 258.163 2.208 20 70 CEIDRO COCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000159965182 366961981 /nfs/dbraw/zinc/96/19/81/366961981.db2.gz SDPNNXQOOJLJJK-SGIREYDYSA-N 1 0 294.370 2.112 20 70 CEIDRO CCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160087341 366971871 /nfs/dbraw/zinc/97/18/71/366971871.db2.gz HAFFHJBFNVPPNW-UKRRQHHQSA-N 1 0 275.396 2.311 20 70 CEIDRO Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160098347 366973467 /nfs/dbraw/zinc/97/34/67/366973467.db2.gz JXZCTCUWWMVNBJ-CQSZACIVSA-N 1 0 295.814 2.256 20 70 CEIDRO CN(Cc1cc(Cl)c2c(c1)OCCO2)[C@@H](C[NH3+])C1CC1 ZINC000160156654 366977590 /nfs/dbraw/zinc/97/75/90/366977590.db2.gz VMNFRLKIHKPQIQ-ZDUSSCGKSA-N 1 0 296.798 2.280 20 70 CEIDRO CN(Cc1cc(Cl)c2c(c1)OCCO2)[C@H](C[NH3+])C1CC1 ZINC000160156773 366978214 /nfs/dbraw/zinc/97/82/14/366978214.db2.gz VMNFRLKIHKPQIQ-CYBMUJFWSA-N 1 0 296.798 2.280 20 70 CEIDRO CCCCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC000160185539 366981422 /nfs/dbraw/zinc/98/14/22/366981422.db2.gz XIKJBTKFVRMVIB-ZBFHGGJFSA-N 1 0 290.407 2.365 20 70 CEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cnccn1 ZINC000160216230 366983369 /nfs/dbraw/zinc/98/33/69/366983369.db2.gz CKPLDCWZSVTQDF-ZFWWWQNUSA-N 1 0 268.364 2.409 20 70 CEIDRO Cc1cccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160265132 366987456 /nfs/dbraw/zinc/98/74/56/366987456.db2.gz XVJYCMDNFGDEPM-JTQLQIEISA-N 1 0 274.286 2.324 20 70 CEIDRO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160276794 366989267 /nfs/dbraw/zinc/98/92/67/366989267.db2.gz QRMSIFVVAVLFDT-ZFWWWQNUSA-N 1 0 299.484 2.303 20 70 CEIDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccs1 ZINC000160280788 366991073 /nfs/dbraw/zinc/99/10/73/366991073.db2.gz RMCGMJLDMIMMLJ-NEPJUHHUSA-N 1 0 266.410 2.262 20 70 CEIDRO FC(F)(F)c1nnc(NCCC[NH+]2CCCC2)s1 ZINC000160332179 366995028 /nfs/dbraw/zinc/99/50/28/366995028.db2.gz HQZCSWIVQIIGBF-UHFFFAOYSA-N 1 0 280.319 2.455 20 70 CEIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000160319910 366995434 /nfs/dbraw/zinc/99/54/34/366995434.db2.gz DQKCHHNLSLGAGK-LBPRGKRZSA-N 1 0 260.362 2.351 20 70 CEIDRO CC[C@@](C)(O)C[NH2+]Cc1cncc(Br)c1 ZINC000160583252 367019695 /nfs/dbraw/zinc/01/96/95/367019695.db2.gz JAVVADFDZGVBQF-LLVKDONJSA-N 1 0 273.174 2.095 20 70 CEIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)O ZINC000160597544 367020685 /nfs/dbraw/zinc/02/06/85/367020685.db2.gz NYADPQKKIYIILR-CQSZACIVSA-N 1 0 269.360 2.134 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N1CCc2c1cccc2Cl ZINC000160591597 367021574 /nfs/dbraw/zinc/02/15/74/367021574.db2.gz FAMSTFPXXLMERL-NSHDSACASA-N 1 0 284.812 2.310 20 70 CEIDRO COc1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)ccc1F ZINC000160358804 366998577 /nfs/dbraw/zinc/99/85/77/366998577.db2.gz AAKSUGQOCYYHJX-SNVBAGLBSA-N 1 0 266.316 2.163 20 70 CEIDRO O=C([C@@H]1CCn2ccnc2C1)N1CC[C@H](c2ccccc2)C1 ZINC000160995229 367048152 /nfs/dbraw/zinc/04/81/52/367048152.db2.gz KWDFOTLFJFEQAP-CVEARBPZSA-N 1 0 295.386 2.462 20 70 CEIDRO CC[C@@H]([NH2+][C@@H](CC)C(N)=O)c1ccc(F)cc1F ZINC000161007354 367050027 /nfs/dbraw/zinc/05/00/27/367050027.db2.gz CLMLBTFRKRGPSP-NEPJUHHUSA-N 1 0 256.296 2.269 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000161075817 367053478 /nfs/dbraw/zinc/05/34/78/367053478.db2.gz SYVDJQOMPSMKHL-DZGCQCFKSA-N 1 0 252.402 2.271 20 70 CEIDRO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cnn(C)c1 ZINC000161112661 367058232 /nfs/dbraw/zinc/05/82/32/367058232.db2.gz LAFLGXHONHIYNJ-CQSZACIVSA-N 1 0 287.363 2.432 20 70 CEIDRO C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161133736 367060805 /nfs/dbraw/zinc/06/08/05/367060805.db2.gz VHCOBVOXGJDIDK-BXUZGUMPSA-N 1 0 296.798 2.366 20 70 CEIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000161157338 367062691 /nfs/dbraw/zinc/06/26/91/367062691.db2.gz MEHHWZKMOWDMOR-ZBFHGGJFSA-N 1 0 274.408 2.384 20 70 CEIDRO C[C@@H](CC[NH2+]CCNC(=O)C1CC1)c1ccccc1 ZINC000160683471 367027132 /nfs/dbraw/zinc/02/71/32/367027132.db2.gz IUXPTUBHGYJQAM-ZDUSSCGKSA-N 1 0 260.381 2.296 20 70 CEIDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1sccc1Br ZINC000160679049 367027361 /nfs/dbraw/zinc/02/73/61/367027361.db2.gz BICIEKJQMCXDQG-RQJHMYQMSA-N 1 0 291.214 2.425 20 70 CEIDRO COc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000161492778 367090255 /nfs/dbraw/zinc/09/02/55/367090255.db2.gz WCOUADITKNCGEN-RYUDHWBXSA-N 1 0 296.798 2.482 20 70 CEIDRO COC(=O)c1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)oc1C ZINC000218129832 370205919 /nfs/dbraw/zinc/20/59/19/370205919.db2.gz DNGZTXLWAULQQS-CABCVRRESA-N 1 0 292.379 2.091 20 70 CEIDRO COc1ccc2c(c1)C[N@@H+](CCOCC1CC1)CC2 ZINC000159622256 533260939 /nfs/dbraw/zinc/26/09/39/533260939.db2.gz RBIAVDBUXGMYCD-UHFFFAOYSA-N 1 0 261.365 2.480 20 70 CEIDRO CCc1ncnc(N[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000217970794 130764236 /nfs/dbraw/zinc/76/42/36/130764236.db2.gz XEZQVTKJTGUXDI-NSHDSACASA-N 1 0 266.364 2.464 20 70 CEIDRO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000217597222 394454440 /nfs/dbraw/zinc/45/44/40/394454440.db2.gz BXNYQFIKCCEQKH-DEBLGDTFSA-N 1 0 262.328 2.179 20 70 CEIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000218769783 394456917 /nfs/dbraw/zinc/45/69/17/394456917.db2.gz RIADTWLWBSYFCC-SLEUVZQESA-N 1 0 299.436 2.148 20 70 CEIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000161402079 395064339 /nfs/dbraw/zinc/06/43/39/395064339.db2.gz WUEXEUCBQXVASN-WCQYABFASA-N 1 0 296.798 2.366 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161397157 395064478 /nfs/dbraw/zinc/06/44/78/395064478.db2.gz DDBYELDTSRODCD-OCCSQVGLSA-N 1 0 276.380 2.388 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C12CCCCC2 ZINC000161179855 286270324 /nfs/dbraw/zinc/27/03/24/286270324.db2.gz SDERKQHFYIECMB-BFHYXJOUSA-N 1 0 282.428 2.086 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000217844118 153297652 /nfs/dbraw/zinc/29/76/52/153297652.db2.gz AFZYOMMZCYZVKG-CQSZACIVSA-N 1 0 295.408 2.182 20 70 CEIDRO O[C@H](CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1F ZINC000217369427 153297932 /nfs/dbraw/zinc/29/79/32/153297932.db2.gz AWRAILGGKBKMRF-CZUORRHYSA-N 1 0 278.371 2.029 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnn(C(C)(C)C)c1 ZINC000217392486 153298675 /nfs/dbraw/zinc/29/86/75/153298675.db2.gz RXJSXIPOQBDECC-CYBMUJFWSA-N 1 0 266.433 2.458 20 70 CEIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCC2 ZINC000159558900 286483875 /nfs/dbraw/zinc/48/38/75/286483875.db2.gz JVNTURLEVSYMMW-MJBXVCDLSA-N 1 0 282.428 2.214 20 70 CEIDRO COc1cc(OC)nc(NCC[NH+](C(C)C)C(C)C)n1 ZINC000159770010 162314055 /nfs/dbraw/zinc/31/40/55/162314055.db2.gz IIQLKPOYGYGCBX-UHFFFAOYSA-N 1 0 282.388 2.025 20 70 CEIDRO c1cn(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cn1 ZINC000159804757 162315021 /nfs/dbraw/zinc/31/50/21/162315021.db2.gz IJUAQUGCIHSJPX-AWEZNQCLSA-N 1 0 285.347 2.449 20 70 CEIDRO c1cn(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cn1 ZINC000159804865 162316009 /nfs/dbraw/zinc/31/60/09/162316009.db2.gz IJUAQUGCIHSJPX-CQSZACIVSA-N 1 0 285.347 2.449 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000159846438 162317068 /nfs/dbraw/zinc/31/70/68/162317068.db2.gz SJAPISDFYUFGEP-DZGCQCFKSA-N 1 0 276.380 2.184 20 70 CEIDRO CN(C(=O)c1ccc2ccccc2n1)[C@H](C[NH3+])C1CC1 ZINC000159803779 162317176 /nfs/dbraw/zinc/31/71/76/162317176.db2.gz HJFVFDCCCXVUHS-OAHLLOKOSA-N 1 0 269.348 2.044 20 70 CEIDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159879092 162317214 /nfs/dbraw/zinc/31/72/14/162317214.db2.gz DDOCVQXJQDVKDI-RQJABVFESA-N 1 0 250.386 2.166 20 70 CEIDRO COC(=O)c1occc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159944398 162317845 /nfs/dbraw/zinc/31/78/45/162317845.db2.gz HLDYRKLFABVJKB-LLVKDONJSA-N 1 0 267.325 2.113 20 70 CEIDRO CN(C(=O)Cc1c(F)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000159901875 162320522 /nfs/dbraw/zinc/32/05/22/162320522.db2.gz TULYOVOSFHETOW-CYBMUJFWSA-N 1 0 284.762 2.217 20 70 CEIDRO Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000160145560 162321923 /nfs/dbraw/zinc/32/19/23/162321923.db2.gz IZFCRPIERBECPF-OKILXGFUSA-N 1 0 258.365 2.270 20 70 CEIDRO CC[N@@H+]1CCC[C@H]1CNc1nnc(C(F)(F)F)s1 ZINC000160320268 162328667 /nfs/dbraw/zinc/32/86/67/162328667.db2.gz OBWQWJPDJISRFY-ZETCQYMHSA-N 1 0 280.319 2.453 20 70 CEIDRO COc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000216649811 414843120 /nfs/dbraw/zinc/84/31/20/414843120.db2.gz YYKUNGYIOCRQRD-MBNYWOFBSA-N 1 0 289.379 2.205 20 70 CEIDRO CN(C(=O)[C@H]1CCCc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159901188 273786058 /nfs/dbraw/zinc/78/60/58/273786058.db2.gz GTZFSCAOBBSDFC-JKSUJKDBSA-N 1 0 272.392 2.302 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000159372145 277213693 /nfs/dbraw/zinc/21/36/93/277213693.db2.gz KGVKWQOOPGDXLD-LBPRGKRZSA-N 1 0 282.453 2.466 20 70 CEIDRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2ccccc2C1 ZINC000159797261 277587664 /nfs/dbraw/zinc/58/76/64/277587664.db2.gz PVFIGFXOCYQIAQ-RLFYNMQTSA-N 1 0 288.435 2.448 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000160985245 277654503 /nfs/dbraw/zinc/65/45/03/277654503.db2.gz HDYDVHXSDVGCBU-CQSZACIVSA-N 1 0 278.421 2.131 20 70 CEIDRO CC(C)c1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cs1 ZINC000160593087 519859251 /nfs/dbraw/zinc/85/92/51/519859251.db2.gz VOXKKERGDDMKAA-PHIMTYICSA-N 1 0 279.409 2.233 20 70 CEIDRO CC1(CNC(=O)c2cccn2C2CC[NH2+]CC2)CCC1 ZINC000160829150 520730033 /nfs/dbraw/zinc/73/00/33/520730033.db2.gz YGTLVXLPQIEGRF-UHFFFAOYSA-N 1 0 275.396 2.333 20 70 CEIDRO CC1CCN(C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000160562710 520981536 /nfs/dbraw/zinc/98/15/36/520981536.db2.gz KPWYOUJMBXPROC-UHFFFAOYSA-N 1 0 267.417 2.112 20 70 CEIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nncs1 ZINC000160545727 521659797 /nfs/dbraw/zinc/65/97/97/521659797.db2.gz KWLVRSQGULZBMP-UHFFFAOYSA-N 1 0 285.417 2.124 20 70 CEIDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cnn(C)c1 ZINC000160461359 522864745 /nfs/dbraw/zinc/86/47/45/522864745.db2.gz FJFQLWULOMEHEA-BNOWGMLFSA-N 1 0 251.374 2.012 20 70 CEIDRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000160353833 523357035 /nfs/dbraw/zinc/35/70/35/523357035.db2.gz MYIDAPPMJQXSRS-SOUVJXGZSA-N 1 0 284.444 2.332 20 70 CEIDRO CN(Cc1cnc2ccccn12)C[C@@H]1CCC[N@H+](C)C1 ZINC000160458763 523502367 /nfs/dbraw/zinc/50/23/67/523502367.db2.gz OBYJFIWSLFKANQ-CQSZACIVSA-N 1 0 272.396 2.108 20 70 CEIDRO COc1cccc(CC[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161300817 525900077 /nfs/dbraw/zinc/90/00/77/525900077.db2.gz QGMABDXIBVELGM-UHFFFAOYSA-N 1 0 290.407 2.275 20 70 CEIDRO Cc1nc2ccccn2c1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000160405401 527178260 /nfs/dbraw/zinc/17/82/60/527178260.db2.gz JTJLRMHQXMEKMH-DZGCQCFKSA-N 1 0 284.407 2.311 20 70 CEIDRO O=C(NCCCC[NH+]1CCCC1)N1CCC2(CCC2)C1 ZINC000160385233 527649687 /nfs/dbraw/zinc/64/96/87/527649687.db2.gz PPNRKGKVVLJTQP-UHFFFAOYSA-N 1 0 279.428 2.448 20 70 CEIDRO CCCCn1ncc(C(=O)NCC[NH+](CC)CC)c1C ZINC000160965460 529093832 /nfs/dbraw/zinc/09/38/32/529093832.db2.gz VJLYVRXLAATPHL-UHFFFAOYSA-N 1 0 280.416 2.063 20 70 CEIDRO CC[C@@H](CC1CCCC1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160493943 529461761 /nfs/dbraw/zinc/46/17/61/529461761.db2.gz GYAAPKJGPKPKEP-KBPBESRZSA-N 1 0 252.402 2.413 20 70 CEIDRO CC(C)[N@H+](C)CCCNc1ncnc2c1CCCC2 ZINC000217800883 539228091 /nfs/dbraw/zinc/22/80/91/539228091.db2.gz PEUZQLBITSNPHZ-UHFFFAOYSA-N 1 0 262.401 2.498 20 70 CEIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000161492337 539279509 /nfs/dbraw/zinc/27/95/09/539279509.db2.gz TWDPCBGPPNSGOI-BUXKBTBVSA-N 1 0 280.437 2.169 20 70 CEIDRO CCCCSCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160805723 344462152 /nfs/dbraw/zinc/46/21/52/344462152.db2.gz YXHWRTDIGILRDF-NWDGAFQWSA-N 1 0 258.431 2.296 20 70 CEIDRO Cc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cn1 ZINC000161289738 344463524 /nfs/dbraw/zinc/46/35/24/344463524.db2.gz RCWUHFJMRNTEGI-UHFFFAOYSA-N 1 0 269.339 2.209 20 70 CEIDRO Cc1nc(CC(C)C)sc1C(=O)NCC(C)(C)[NH3+] ZINC000160070751 232248640 /nfs/dbraw/zinc/24/86/40/232248640.db2.gz UGHROBGKRZGDSH-UHFFFAOYSA-N 1 0 269.414 2.117 20 70 CEIDRO CC(C)[C@H](C(=O)N(C)CCOc1ccccc1F)[NH+](C)C ZINC000160108221 188456107 /nfs/dbraw/zinc/45/61/07/188456107.db2.gz ZARRBTUJKVLHSX-OAHLLOKOSA-N 1 0 296.386 2.249 20 70 CEIDRO CCc1cccc(C)c1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160027340 188451365 /nfs/dbraw/zinc/45/13/65/188451365.db2.gz JNAGAOBFLLVYDY-HNNXBMFYSA-N 1 0 289.423 2.165 20 70 CEIDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O)c(C)c1 ZINC000160613771 188483317 /nfs/dbraw/zinc/48/33/17/188483317.db2.gz NWZMKCXKMSDRTE-CYBMUJFWSA-N 1 0 278.396 2.381 20 70 CEIDRO Cc1c(CNC(=O)[C@@H]2CCC[NH2+]2)oc2ccccc12 ZINC000160818136 188492523 /nfs/dbraw/zinc/49/25/23/188492523.db2.gz ORWZJPJPAOQUJR-LBPRGKRZSA-N 1 0 258.321 2.109 20 70 CEIDRO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000161259876 188518483 /nfs/dbraw/zinc/51/84/83/188518483.db2.gz GHDIOZGHZNEFHX-HZPDHXFCSA-N 1 0 272.392 2.124 20 70 CEIDRO CCn1nc(C)c(NC(=O)c2ccc(C[NH3+])cc2)c1C ZINC000161384625 188525020 /nfs/dbraw/zinc/52/50/20/188525020.db2.gz QWXGWUDCAUJLPG-UHFFFAOYSA-N 1 0 272.352 2.231 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000161460100 188529217 /nfs/dbraw/zinc/52/92/17/188529217.db2.gz UFMGVFNOHJPYEA-JQRITLKVSA-N 1 0 290.407 2.360 20 70 CEIDRO Cc1oc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000159512918 540086780 /nfs/dbraw/zinc/08/67/80/540086780.db2.gz MPOFAWIHPXCLRX-BETUJISGSA-N 1 0 262.353 2.171 20 70 CEIDRO [NH3+]CCCNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000160076297 540111697 /nfs/dbraw/zinc/11/16/97/540111697.db2.gz LWDCSDLLEOPWQF-UHFFFAOYSA-N 1 0 262.353 2.087 20 70 CEIDRO CC(C)CCN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160265189 540114599 /nfs/dbraw/zinc/11/45/99/540114599.db2.gz GFGWXRBFVFJVAJ-DVOMOZLQSA-N 1 0 282.428 2.023 20 70 CEIDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(F)cc1F ZINC000161041939 540132038 /nfs/dbraw/zinc/13/20/38/540132038.db2.gz DGUCUOKWELYSPO-NXEZZACHSA-N 1 0 268.307 2.273 20 70 CEIDRO CCO[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161299122 540136557 /nfs/dbraw/zinc/13/65/57/540136557.db2.gz HUAQXNJYQOBTNI-KKUMJFAQSA-N 1 0 276.380 2.150 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000161385292 540137615 /nfs/dbraw/zinc/13/76/15/540137615.db2.gz DTEIAORDYICWSF-QWRGUYRKSA-N 1 0 284.306 2.288 20 70 CEIDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C12CCCC2 ZINC000159865181 540434315 /nfs/dbraw/zinc/43/43/15/540434315.db2.gz UABPBRDZSCYCHF-OLZOCXBDSA-N 1 0 282.428 2.229 20 70 CEIDRO CCCn1c(C)nnc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000159688924 366940352 /nfs/dbraw/zinc/94/03/52/366940352.db2.gz FLSFWJRXUIRBLY-HNNXBMFYSA-N 1 0 293.459 2.303 20 70 CEIDRO Cc1cnn(CCCCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159788675 366947343 /nfs/dbraw/zinc/94/73/43/366947343.db2.gz RAJGINBGCGSRCP-HOTGVXAUSA-N 1 0 279.428 2.455 20 70 CEIDRO CC[C@H]([NH2+]CCC(C)(C)O)c1c(C)nn(C)c1C ZINC000159718427 366941739 /nfs/dbraw/zinc/94/17/39/366941739.db2.gz QTGPFIYEBBDGND-LBPRGKRZSA-N 1 0 253.390 2.239 20 70 CEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCN2CCCC2=O)n1 ZINC000159737961 366945162 /nfs/dbraw/zinc/94/51/62/366945162.db2.gz VHXFLYGDZZBTBG-HNNXBMFYSA-N 1 0 273.380 2.149 20 70 CEIDRO CCC[NH+]1CCC(NC(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000159750611 366945247 /nfs/dbraw/zinc/94/52/47/366945247.db2.gz WDTIDGBJPFBPOX-ZDUSSCGKSA-N 1 0 282.428 2.040 20 70 CEIDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1Cc1ccccc1 ZINC000159382747 366907899 /nfs/dbraw/zinc/90/78/99/366907899.db2.gz JSPAFFFAVKPTML-UHFFFAOYSA-N 1 0 297.402 2.199 20 70 CEIDRO CCc1cccc2c(CCNC(=O)[C@H]3CCC[NH2+]C3)c[nH]c21 ZINC000159371972 366907986 /nfs/dbraw/zinc/90/79/86/366907986.db2.gz XKWVTWKJNLKFJK-HNNXBMFYSA-N 1 0 299.418 2.389 20 70 CEIDRO O=C(CCCn1cccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159449883 366915091 /nfs/dbraw/zinc/91/50/91/366915091.db2.gz MHAVZVGUTKJSET-INIZCTEOSA-N 1 0 289.423 2.355 20 70 CEIDRO Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CCCC1=O)CCC2 ZINC000159552585 366926100 /nfs/dbraw/zinc/92/61/00/366926100.db2.gz DVOOLMZXYUULFM-LBPRGKRZSA-N 1 0 293.436 2.431 20 70 CEIDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)C(C)C)CC2 ZINC000159559937 366926795 /nfs/dbraw/zinc/92/67/95/366926795.db2.gz XACXYGGZCJNOHT-GOEBONIOSA-N 1 0 263.381 2.159 20 70 CEIDRO CNC(=O)[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159612980 366932382 /nfs/dbraw/zinc/93/23/82/366932382.db2.gz ZWNHWSAJXMYPDS-HNNXBMFYSA-N 1 0 288.391 2.026 20 70 CEIDRO COc1cccc(OCC[N@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159875854 366956083 /nfs/dbraw/zinc/95/60/83/366956083.db2.gz UKDLZXIKHJJCDB-CJNGLKHVSA-N 1 0 279.380 2.167 20 70 CEIDRO Nc1cc(N)[nH+]c(SCC(=O)CCC2CCCC2)n1 ZINC000159954265 366961099 /nfs/dbraw/zinc/96/10/99/366961099.db2.gz VGXGRKMFZOHLFU-UHFFFAOYSA-N 1 0 280.397 2.273 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159995623 366963747 /nfs/dbraw/zinc/96/37/47/366963747.db2.gz QEGVEBUOQYABDT-XQQFMLRXSA-N 1 0 267.417 2.345 20 70 CEIDRO CCCCN(C)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160023077 366966734 /nfs/dbraw/zinc/96/67/34/366966734.db2.gz YVKOTTKCCBUSDL-UHFFFAOYSA-N 1 0 277.412 2.390 20 70 CEIDRO CCCCn1ncc(NC(=O)NCC[NH+](CC)CC)c1C ZINC000160073109 366971950 /nfs/dbraw/zinc/97/19/50/366971950.db2.gz FYIPMZUULHVRIM-UHFFFAOYSA-N 1 0 295.431 2.455 20 70 CEIDRO O=C(NCc1ccccc1OCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000160099281 366972630 /nfs/dbraw/zinc/97/26/30/366972630.db2.gz CCXZJXQNTPIZHX-OAHLLOKOSA-N 1 0 288.391 2.234 20 70 CEIDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160121572 366974710 /nfs/dbraw/zinc/97/47/10/366974710.db2.gz FOCSWNWHMQLSBI-YZQVSVNPSA-N 1 0 276.424 2.315 20 70 CEIDRO C[C@H](C(=O)NCCC[NH3+])c1ccc2ccccc2c1 ZINC000160152086 366977539 /nfs/dbraw/zinc/97/75/39/366977539.db2.gz LAXRFDKCGYASAF-LBPRGKRZSA-N 1 0 256.349 2.408 20 70 CEIDRO CCc1cc2c(ncnc2N(C)[C@H](C[NH3+])C2CC2)s1 ZINC000160197613 366982274 /nfs/dbraw/zinc/98/22/74/366982274.db2.gz CYBGVCQEBMWQAK-GFCCVEGCSA-N 1 0 276.409 2.427 20 70 CEIDRO CC(C)COc1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160214188 366983962 /nfs/dbraw/zinc/98/39/62/366983962.db2.gz VVNYWFXXOFGTCM-HNNXBMFYSA-N 1 0 290.407 2.214 20 70 CEIDRO COc1ccc2cc(C[N@@H+]3CCC[C@H]3C(N)=O)ccc2c1 ZINC000160315829 366993410 /nfs/dbraw/zinc/99/34/10/366993410.db2.gz HGFCURZQZJIKSB-INIZCTEOSA-N 1 0 284.359 2.298 20 70 CEIDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000160368200 366999636 /nfs/dbraw/zinc/99/96/36/366999636.db2.gz FFWQZBSEBVNMCD-NSHDSACASA-N 1 0 298.789 2.432 20 70 CEIDRO CSC[C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160419168 367004252 /nfs/dbraw/zinc/00/42/52/367004252.db2.gz UVUXWYQVHXUNGI-UONOGXRCSA-N 1 0 299.484 2.398 20 70 CEIDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000160450059 367006226 /nfs/dbraw/zinc/00/62/26/367006226.db2.gz CQBJGCQKWRQIJN-OAHLLOKOSA-N 1 0 275.396 2.240 20 70 CEIDRO [NH3+][C@@H]1[C@H](C(=O)NCCc2cc3ccccc3o2)[C@@H]2CC[C@H]1C2 ZINC000160486345 367009441 /nfs/dbraw/zinc/00/94/41/367009441.db2.gz ZBJGFWLCUHZPAV-GFOFROLCSA-N 1 0 298.386 2.465 20 70 CEIDRO CN(C(=O)NC1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000160515431 367012423 /nfs/dbraw/zinc/01/24/23/367012423.db2.gz TYCHKNVNIJNUDF-CYBMUJFWSA-N 1 0 253.390 2.055 20 70 CEIDRO CS[C@@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000160528316 367013252 /nfs/dbraw/zinc/01/32/52/367013252.db2.gz MACGJNNTLWKQSF-STQMWFEESA-N 1 0 272.458 2.366 20 70 CEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000160527649 367013947 /nfs/dbraw/zinc/01/39/47/367013947.db2.gz OYMDTMOQCBLABW-NEPJUHHUSA-N 1 0 285.432 2.367 20 70 CEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000161346472 367079604 /nfs/dbraw/zinc/07/96/04/367079604.db2.gz DDFVUSXLWQEUCL-IMJJTQAJSA-N 1 0 274.408 2.478 20 70 CEIDRO CCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160975806 367046609 /nfs/dbraw/zinc/04/66/09/367046609.db2.gz SUYOPRPVAPOKEW-CYBMUJFWSA-N 1 0 255.406 2.158 20 70 CEIDRO C[N@H+](CCOc1ccccc1F)[C@H]1CCCC[C@@H]1O ZINC000161079951 367055309 /nfs/dbraw/zinc/05/53/09/367055309.db2.gz PPHKMTQMCWAKGM-KBPBESRZSA-N 1 0 267.344 2.440 20 70 CEIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000161120102 367059647 /nfs/dbraw/zinc/05/96/47/367059647.db2.gz UPWFWLXQHRJBRQ-OLZOCXBDSA-N 1 0 278.421 2.426 20 70 CEIDRO CO[C@H]1CCN(CCSc2ccccc2)[C@H](C[NH3+])C1 ZINC000161170991 367064385 /nfs/dbraw/zinc/06/43/85/367064385.db2.gz FLQIMKZDQOGPRP-KBPBESRZSA-N 1 0 280.437 2.217 20 70 CEIDRO CO[C@@H]1CCN(C/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000161193440 367066288 /nfs/dbraw/zinc/06/62/88/367066288.db2.gz OWOYTALPZMJLQO-AUPUMLSVSA-N 1 0 260.381 2.138 20 70 CEIDRO CCOC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000161285688 367074422 /nfs/dbraw/zinc/07/44/22/367074422.db2.gz LSZICDPDAWWXPS-ARFHVFGLSA-N 1 0 263.381 2.310 20 70 CEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2F)C1 ZINC000161485221 367090852 /nfs/dbraw/zinc/09/08/52/367090852.db2.gz KATHBNARZWTJDA-LBPRGKRZSA-N 1 0 264.344 2.206 20 70 CEIDRO CSCCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159499175 533542162 /nfs/dbraw/zinc/54/21/62/533542162.db2.gz DZXIRIMZUCIECX-UHFFFAOYSA-N 1 0 258.431 2.298 20 70 CEIDRO C[C@H]1C[C@@H](CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000159450717 395058722 /nfs/dbraw/zinc/05/87/22/395058722.db2.gz OTGDUEFMLNXLCB-STQMWFEESA-N 1 0 252.402 2.271 20 70 CEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000159671005 395059516 /nfs/dbraw/zinc/05/95/16/395059516.db2.gz CNBJACNPFNKISE-JSGCOSHPSA-N 1 0 250.386 2.310 20 70 CEIDRO [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000160064082 395060368 /nfs/dbraw/zinc/06/03/68/395060368.db2.gz IYQKCPKGZHWBAO-BETUJISGSA-N 1 0 259.353 2.409 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000160706563 395062043 /nfs/dbraw/zinc/06/20/43/395062043.db2.gz HKKRFUNASXCQAW-LSDHHAIUSA-N 1 0 279.428 2.254 20 70 CEIDRO CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159708757 162311752 /nfs/dbraw/zinc/31/17/52/162311752.db2.gz ZNZWVCTXLFOTAR-RYUDHWBXSA-N 1 0 295.452 2.427 20 70 CEIDRO C[C@@H](CNC(=O)[C@@H]1CC1(C)C)C[NH+]1CCCCC1 ZINC000159777794 162313052 /nfs/dbraw/zinc/31/30/52/162313052.db2.gz UIPICHSBZJVQDN-STQMWFEESA-N 1 0 252.402 2.271 20 70 CEIDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCOCC)C1 ZINC000159881526 162315567 /nfs/dbraw/zinc/31/55/67/162315567.db2.gz LIBBCTNJEBMLEZ-GJZGRUSLSA-N 1 0 284.444 2.430 20 70 CEIDRO CN(C(=O)Nc1ccc(F)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000159905122 162318797 /nfs/dbraw/zinc/31/87/97/162318797.db2.gz JKPYIFDGGRHGSR-LBPRGKRZSA-N 1 0 269.295 2.166 20 70 CEIDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159897656 162320519 /nfs/dbraw/zinc/32/05/19/162320519.db2.gz PDYOOCIPNLHDNX-QMTHXVAHSA-N 1 0 296.798 2.303 20 70 CEIDRO OCC1(C[NH2+]Cc2c[nH]nc2-c2cccnc2)CCCC1 ZINC000160109892 162324238 /nfs/dbraw/zinc/32/42/38/162324238.db2.gz XJOZJHYEVHKUEA-UHFFFAOYSA-N 1 0 286.379 2.114 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CCO)CSC)CC2 ZINC000160219669 162326227 /nfs/dbraw/zinc/32/62/27/162326227.db2.gz FUEWKLMVJTUOPR-SWLSCSKDSA-N 1 0 281.421 2.386 20 70 CEIDRO CC(C)NC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000161162813 162327983 /nfs/dbraw/zinc/32/79/83/162327983.db2.gz TTXJMVUOIDSQSW-LBPRGKRZSA-N 1 0 253.390 2.053 20 70 CEIDRO COc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000217594800 261638030 /nfs/dbraw/zinc/63/80/30/261638030.db2.gz NPCGGMKUPNUUSN-JKEYDSJLSA-N 1 0 274.364 2.048 20 70 CEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2Cl ZINC000160588009 275004776 /nfs/dbraw/zinc/00/47/76/275004776.db2.gz LZYKCHOULMYCPS-SNVBAGLBSA-N 1 0 264.756 2.229 20 70 CEIDRO CC(C)C[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000160876946 275599254 /nfs/dbraw/zinc/59/92/54/275599254.db2.gz GHSMIOZIJDBDNQ-OCCSQVGLSA-N 1 0 256.365 2.115 20 70 CEIDRO CC(C)c1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000159911694 275743724 /nfs/dbraw/zinc/74/37/24/275743724.db2.gz IXXVZDVUBZVHQZ-OAHLLOKOSA-N 1 0 296.436 2.168 20 70 CEIDRO CC1(O)CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000161222336 275899959 /nfs/dbraw/zinc/89/99/59/275899959.db2.gz NQZBFDBVOOKJDF-LSDHHAIUSA-N 1 0 294.439 2.014 20 70 CEIDRO COC(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)OC ZINC000161174369 277178399 /nfs/dbraw/zinc/17/83/99/277178399.db2.gz VIRHYLAWVJZZGA-ZDUSSCGKSA-N 1 0 267.344 2.309 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1nc(Cl)ccc1Cl ZINC000161183940 277285342 /nfs/dbraw/zinc/28/53/42/277285342.db2.gz JCMPJAVGTLMUFI-MRVPVSSYSA-N 1 0 288.178 2.212 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000161256818 278585668 /nfs/dbraw/zinc/58/56/68/278585668.db2.gz VQXYZRSVEAKDTA-BXUZGUMPSA-N 1 0 270.417 2.071 20 70 CEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)nc2C)C1 ZINC000160125296 280095516 /nfs/dbraw/zinc/09/55/16/280095516.db2.gz LXGLGLVYBFTXOD-NSHDSACASA-N 1 0 281.787 2.115 20 70 CEIDRO CCn1ccnc1C[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000217799439 280209827 /nfs/dbraw/zinc/20/98/27/280209827.db2.gz HPINGHQYLWLOJX-UHFFFAOYSA-N 1 0 296.415 2.250 20 70 CEIDRO CC(C)OC[C@@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000159364571 312631892 /nfs/dbraw/zinc/63/18/92/312631892.db2.gz CUEFBICJFOUGEW-INIZCTEOSA-N 1 0 288.391 2.153 20 70 CEIDRO C[NH2+][C@@H](C)C(=O)Nc1ccc(F)c(Br)c1 ZINC000159956771 312635830 /nfs/dbraw/zinc/63/58/30/312635830.db2.gz BAEGIQFUYSUHLQ-LURJTMIESA-N 1 0 275.121 2.135 20 70 CEIDRO CC(C)C[C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000161473107 519409063 /nfs/dbraw/zinc/40/90/63/519409063.db2.gz HXPPNTBJTXTAMF-HIFRSBDPSA-N 1 0 252.402 2.271 20 70 CEIDRO CCOCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161397234 519903728 /nfs/dbraw/zinc/90/37/28/519903728.db2.gz BRTNEJUBPFSFRV-UHFFFAOYSA-N 1 0 284.444 2.239 20 70 CEIDRO CCOC[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160569444 520138064 /nfs/dbraw/zinc/13/80/64/520138064.db2.gz NOHNXILYAUHSDA-VIFPVBQESA-N 1 0 273.174 2.359 20 70 CEIDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000160922798 521055929 /nfs/dbraw/zinc/05/59/29/521055929.db2.gz CVFKRAZTRSKHLX-XQQFMLRXSA-N 1 0 263.385 2.426 20 70 CEIDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783647 522636453 /nfs/dbraw/zinc/63/64/53/522636453.db2.gz KGLNMYJTJGQGJF-DDTOSNHZSA-N 1 0 298.333 2.038 20 70 CEIDRO CCc1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)sc1C ZINC000160464143 523759377 /nfs/dbraw/zinc/75/93/77/523759377.db2.gz DPNOOWOMJJAXOR-LLVKDONJSA-N 1 0 252.383 2.053 20 70 CEIDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)NC1CC1 ZINC000160821975 525533325 /nfs/dbraw/zinc/53/33/25/525533325.db2.gz GXIIWIXVJSQKBG-STQMWFEESA-N 1 0 298.390 2.190 20 70 CEIDRO c1cc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000161290750 526436774 /nfs/dbraw/zinc/43/67/74/526436774.db2.gz GACXBZSVUFVRAV-HNNXBMFYSA-N 1 0 276.428 2.465 20 70 CEIDRO O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160532254 526589782 /nfs/dbraw/zinc/58/97/82/526589782.db2.gz BJUSVLSFTLKDCW-OKILXGFUSA-N 1 0 296.374 2.043 20 70 CEIDRO O=C(CCc1cccc(F)c1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160475795 526602557 /nfs/dbraw/zinc/60/25/57/526602557.db2.gz JYSGWCLNCOQRSJ-BETUJISGSA-N 1 0 294.345 2.250 20 70 CEIDRO Cc1nc(CN(C)CCC[NH+]2CCCC2)cs1 ZINC000161497539 526839733 /nfs/dbraw/zinc/83/97/33/526839733.db2.gz RAZHFBXQANLJLW-UHFFFAOYSA-N 1 0 253.415 2.369 20 70 CEIDRO CCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000160936109 574512840 /nfs/dbraw/zinc/51/28/40/574512840.db2.gz JPOFHGGXRZJMMD-STQMWFEESA-N 1 0 292.379 2.094 20 70 CEIDRO CN(CCC[NH+]1CCCCC1)CC(=O)OC(C)(C)C ZINC000160801071 529886786 /nfs/dbraw/zinc/88/67/86/529886786.db2.gz ZUIHWQLUDGTMDW-UHFFFAOYSA-N 1 0 270.417 2.136 20 70 CEIDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccsc1 ZINC000160282429 232250413 /nfs/dbraw/zinc/25/04/13/232250413.db2.gz XSSBPQXHPFKDEP-NEPJUHHUSA-N 1 0 266.410 2.262 20 70 CEIDRO Cc1cccc2c(CCNC(=O)[C@@H]3CCC[NH2+]C3)c[nH]c21 ZINC000159560460 188431916 /nfs/dbraw/zinc/43/19/16/188431916.db2.gz VMSDVYGROZHHRD-CQSZACIVSA-N 1 0 285.391 2.135 20 70 CEIDRO C[C@]1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC[NH2+]C1 ZINC000159821768 188442620 /nfs/dbraw/zinc/44/26/20/188442620.db2.gz XGTOOQNDZMESBE-WBVHZDCISA-N 1 0 272.392 2.124 20 70 CEIDRO COc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1F ZINC000160360582 188468410 /nfs/dbraw/zinc/46/84/10/188468410.db2.gz ZPNXHOJXDADZPZ-UHFFFAOYSA-N 1 0 266.316 2.163 20 70 CEIDRO COC[C@@H]([NH2+][C@H](CCO)c1ccccc1)C(C)C ZINC000161067495 188505800 /nfs/dbraw/zinc/50/58/00/188505800.db2.gz KVDRSTAIKKFWOT-HUUCEWRRSA-N 1 0 251.370 2.371 20 70 CEIDRO CCCn1nccc1C[NH2+]CC1(O)CCC(C)CC1 ZINC000160161425 540112678 /nfs/dbraw/zinc/11/26/78/540112678.db2.gz GUSDLCYPDOENOP-UHFFFAOYSA-N 1 0 265.401 2.324 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC000160964020 540128483 /nfs/dbraw/zinc/12/84/83/540128483.db2.gz ORUKRPRNQKYTDU-UWVGGRQHSA-N 1 0 252.745 2.340 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC000161019014 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CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C12CCCC2 ZINC000159864811 540434342 /nfs/dbraw/zinc/43/43/42/540434342.db2.gz UABPBRDZSCYCHF-QWHCGFSZSA-N 1 0 282.428 2.229 20 70 CEIDRO CC[N@H+](CCCCS(C)(=O)=O)Cc1ccc(OC)cc1 ZINC000161485496 540840717 /nfs/dbraw/zinc/84/07/17/540840717.db2.gz UMTUNXBFCMYYLV-UHFFFAOYSA-N 1 0 299.436 2.342 20 70 CEIDRO O=C(N[C@H]1CCC[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000159715500 366941525 /nfs/dbraw/zinc/94/15/25/366941525.db2.gz ARVSBZQCYRIKJC-HOTGVXAUSA-N 1 0 272.392 2.439 20 70 CEIDRO CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159711007 366941673 /nfs/dbraw/zinc/94/16/73/366941673.db2.gz BKFBOFJEISXIKV-HOTGVXAUSA-N 1 0 296.455 2.430 20 70 CEIDRO C[C@@H]1CCC[C@@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000159422784 366912196 /nfs/dbraw/zinc/91/21/96/366912196.db2.gz CWGNWPFULDJERG-LVQVYYBASA-N 1 0 296.455 2.428 20 70 CEIDRO O=C(c1cccc2nc[nH]c21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159450680 366915216 /nfs/dbraw/zinc/91/52/16/366915216.db2.gz 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[NH3+]CC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160085781 366971507 /nfs/dbraw/zinc/97/15/07/366971507.db2.gz DJWMCJQOJXTYKF-UHFFFAOYSA-N 1 0 276.424 2.256 20 70 CEIDRO CC(C)C[C@H](NC(=O)C1([NH3+])CCCCC1)C(=O)OC(C)C ZINC000160147772 366976671 /nfs/dbraw/zinc/97/66/71/366976671.db2.gz NTYFJUPQVOHYEA-ZDUSSCGKSA-N 1 0 298.427 2.131 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160220925 366984358 /nfs/dbraw/zinc/98/43/58/366984358.db2.gz VEVUJDBWIKSTCE-MXWKQRLJSA-N 1 0 280.318 2.018 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000160309691 366993670 /nfs/dbraw/zinc/99/36/70/366993670.db2.gz OLRQMDTWUPIMLH-ZCRIDZFUSA-N 1 0 296.317 2.251 20 70 CEIDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC(C)(C)O ZINC000160594403 367020408 /nfs/dbraw/zinc/02/04/08/367020408.db2.gz OGLJRKQCUOBRCW-SNVBAGLBSA-N 1 0 284.787 2.418 20 70 CEIDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CC2 ZINC000160593893 367021556 /nfs/dbraw/zinc/02/15/56/367021556.db2.gz MYUSHOHJSBGTEO-LBPRGKRZSA-N 1 0 286.297 2.250 20 70 CEIDRO CC[N@@H+](Cc1ccc(OC)cc1)CC(OC)OC ZINC000160613128 367022378 /nfs/dbraw/zinc/02/23/78/367022378.db2.gz HRFPWYDFQLKAPI-UHFFFAOYSA-N 1 0 253.342 2.136 20 70 CEIDRO COC(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)OC ZINC000160445163 367007010 /nfs/dbraw/zinc/00/70/10/367007010.db2.gz OWDAPYVKIJSOQA-MRXNPFEDSA-N 1 0 279.380 2.051 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000160477716 367009020 /nfs/dbraw/zinc/00/90/20/367009020.db2.gz BCTJEKIPKWRCPX-NEPJUHHUSA-N 1 0 287.363 2.374 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(NC(=O)OC)cc1 ZINC000160546786 367015040 /nfs/dbraw/zinc/01/50/40/367015040.db2.gz AXHLWWXTLJMRQA-UHFFFAOYSA-N 1 0 293.367 2.112 20 70 CEIDRO CC(C)CSCCCNC(=O)C[N@H+](C)C(C)C ZINC000160867757 367039658 /nfs/dbraw/zinc/03/96/58/367039658.db2.gz XOEUUAFUNWAELO-UHFFFAOYSA-N 1 0 260.447 2.222 20 70 CEIDRO C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H]1C ZINC000160911380 367043100 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ZINC000161251303 367071338 /nfs/dbraw/zinc/07/13/38/367071338.db2.gz QPUGUZZNGYFFPJ-OAHLLOKOSA-N 1 0 298.390 2.005 20 70 CEIDRO CSc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)ccc1F ZINC000161261907 367073544 /nfs/dbraw/zinc/07/35/44/367073544.db2.gz WFPYNHDDRGPKJO-SNVBAGLBSA-N 1 0 282.384 2.229 20 70 CEIDRO CCC[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160727986 367029991 /nfs/dbraw/zinc/02/99/91/367029991.db2.gz IHDSQJVEBUVIBL-UHFFFAOYSA-N 1 0 288.347 2.479 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000160766258 367032855 /nfs/dbraw/zinc/03/28/55/367032855.db2.gz QCLZXWIAPMYHHQ-GARJFASQSA-N 1 0 296.773 2.403 20 70 CEIDRO [NH3+][C@@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161490985 367090929 /nfs/dbraw/zinc/09/09/29/367090929.db2.gz ROSOYDGGRCGZMG-SECBINFHSA-N 1 0 273.149 2.121 20 70 CEIDRO COC(C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)OC ZINC000161023989 284655404 /nfs/dbraw/zinc/65/54/04/284655404.db2.gz OGSHDAHTSNTVQF-INIZCTEOSA-N 1 0 297.370 2.190 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H](C)CO)CC2 ZINC000159561985 395058467 /nfs/dbraw/zinc/05/84/67/395058467.db2.gz FTSUYDXNCFIGBO-YWPYICTPSA-N 1 0 263.381 2.159 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000160706438 395061720 /nfs/dbraw/zinc/06/17/20/395061720.db2.gz HKKRFUNASXCQAW-CABCVRRESA-N 1 0 279.428 2.254 20 70 CEIDRO CCCCN(CC)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160797358 395061807 /nfs/dbraw/zinc/06/18/07/395061807.db2.gz SQAQKCIMSBMDJY-NVXWUHKLSA-N 1 0 296.455 2.262 20 70 CEIDRO CC(C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000160876826 395061970 /nfs/dbraw/zinc/06/19/70/395061970.db2.gz GHSMIOZIJDBDNQ-JSGCOSHPSA-N 1 0 256.365 2.115 20 70 CEIDRO COCC(C)(C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160930016 292202120 /nfs/dbraw/zinc/20/21/20/292202120.db2.gz ANKONWKKYZYFMX-AWEZNQCLSA-N 1 0 299.459 2.221 20 70 CEIDRO CSCCCCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000159879223 162315147 /nfs/dbraw/zinc/31/51/47/162315147.db2.gz NLTPNOTWYJSIKG-UHFFFAOYSA-N 1 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YWUFRVLIGQUHIZ-XJKSGUPXSA-N 1 0 263.381 2.433 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CCO)CSC)CC2 ZINC000160219840 162326281 /nfs/dbraw/zinc/32/62/81/162326281.db2.gz FUEWKLMVJTUOPR-WFASDCNBSA-N 1 0 281.421 2.386 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H](C)CO)CC2 ZINC000159562116 274128428 /nfs/dbraw/zinc/12/84/28/274128428.db2.gz FTSUYDXNCFIGBO-LALPHHSUSA-N 1 0 263.381 2.159 20 70 CEIDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160358448 276261807 /nfs/dbraw/zinc/26/18/07/276261807.db2.gz SIDZQTJNLZHMPE-YNEHKIRRSA-N 1 0 283.416 2.025 20 70 CEIDRO CC[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000160778707 276652170 /nfs/dbraw/zinc/65/21/70/276652170.db2.gz FGWFUHCFNWKHQL-WCQYABFASA-N 1 0 258.431 2.106 20 70 CEIDRO CC(C)([NH3+])CNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000159940691 277307829 /nfs/dbraw/zinc/30/78/29/277307829.db2.gz JGRABDFGJRBCRT-MRXNPFEDSA-N 1 0 260.381 2.134 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386608 277984170 /nfs/dbraw/zinc/98/41/70/277984170.db2.gz HNZOCAPNRRFGDH-CJNGLKHVSA-N 1 0 298.390 2.187 20 70 CEIDRO Cc1nc2c(s1)[C@H]([NH2+]CCCN1CCCC1=O)CCC2 ZINC000159552462 279119586 /nfs/dbraw/zinc/11/95/86/279119586.db2.gz DVOOLMZXYUULFM-GFCCVEGCSA-N 1 0 293.436 2.431 20 70 CEIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000161402192 279328155 /nfs/dbraw/zinc/32/81/55/279328155.db2.gz WUEXEUCBQXVASN-DGCLKSJQSA-N 1 0 296.798 2.366 20 70 CEIDRO Cc1ccccc1NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160053017 281351371 /nfs/dbraw/zinc/35/13/71/281351371.db2.gz CUPXMSYPFXIVAM-HACGYAERSA-N 1 0 288.391 2.466 20 70 CEIDRO CC(C)(C)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000159695193 297429961 /nfs/dbraw/zinc/42/99/61/297429961.db2.gz UYJDVZQKPPYJQC-UHFFFAOYSA-N 1 0 255.406 2.349 20 70 CEIDRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000160120718 297433566 /nfs/dbraw/zinc/43/35/66/297433566.db2.gz WZJHENPAEOHIBE-WFASDCNBSA-N 1 0 276.380 2.046 20 70 CEIDRO O=C(NCC[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC000160697582 312639540 /nfs/dbraw/zinc/63/95/40/312639540.db2.gz XDFMZSBIXUPFRY-UHFFFAOYSA-N 1 0 268.307 2.240 20 70 CEIDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160881220 520247265 /nfs/dbraw/zinc/24/72/65/520247265.db2.gz BTOKAYFCXUOPAB-AWEZNQCLSA-N 1 0 272.396 2.108 20 70 CEIDRO CCCCN(CC)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160797474 520458410 /nfs/dbraw/zinc/45/84/10/520458410.db2.gz SQAQKCIMSBMDJY-WBVHZDCISA-N 1 0 296.455 2.262 20 70 CEIDRO CCC[C@H](C)[C@H](CC)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160407373 521066676 /nfs/dbraw/zinc/06/66/76/521066676.db2.gz ZKDQKSJQRWBTIF-HOCLYGCPSA-N 1 0 297.487 2.343 20 70 CEIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cccc(OC)c1 ZINC000160923312 522565590 /nfs/dbraw/zinc/56/55/90/522565590.db2.gz XARPZTMMGKYNNT-AWEZNQCLSA-N 1 0 264.369 2.261 20 70 CEIDRO C[C@@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)[C@@H]1CO ZINC000160945241 524223637 /nfs/dbraw/zinc/22/36/37/524223637.db2.gz PYVSGHGRTLBPQP-RHSMWYFYSA-N 1 0 294.414 2.350 20 70 CEIDRO COc1ccccc1/C=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160587612 524314458 /nfs/dbraw/zinc/31/44/58/524314458.db2.gz GYWBTFBNUZOBSK-COAGHLHKSA-N 1 0 286.375 2.061 20 70 CEIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000160399555 525702105 /nfs/dbraw/zinc/70/21/05/525702105.db2.gz UPYFSEWUCZTTOE-PWSUYJOCSA-N 1 0 283.393 2.180 20 70 CEIDRO CCC(CC)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000160568613 344459399 /nfs/dbraw/zinc/45/93/99/344459399.db2.gz JKYKWFILBXMDQA-CYBMUJFWSA-N 1 0 255.406 2.158 20 70 CEIDRO C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160653326 344460622 /nfs/dbraw/zinc/46/06/22/344460622.db2.gz KATIKZINILXEJV-HIFRSBDPSA-N 1 0 279.428 2.302 20 70 CEIDRO CC[N@H+](CCNCc1cnc2ccccc2n1)C1CC1 ZINC000218319274 344536342 /nfs/dbraw/zinc/53/63/42/344536342.db2.gz WJZWEXZDVLQLHC-UHFFFAOYSA-N 1 0 270.380 2.204 20 70 CEIDRO Cc1cc(F)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159791033 188442106 /nfs/dbraw/zinc/44/21/06/188442106.db2.gz HAVYPOOPPDJIHC-UHFFFAOYSA-N 1 0 264.344 2.222 20 70 CEIDRO O=C(c1cccnc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000159811001 188443432 /nfs/dbraw/zinc/44/34/32/188443432.db2.gz ROMAXHLPBHOSNO-UHFFFAOYSA-N 1 0 293.798 2.339 20 70 CEIDRO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000160453097 188473998 /nfs/dbraw/zinc/47/39/98/188473998.db2.gz CXUANWLVYSPNOG-WDEREUQCSA-N 1 0 254.399 2.387 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160326495 188466514 /nfs/dbraw/zinc/46/65/14/188466514.db2.gz UJRUFSMSGJFJBW-IJLUTSLNSA-N 1 0 280.318 2.018 20 70 CEIDRO Cc1cccc(O[C@@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000161168382 188511954 /nfs/dbraw/zinc/51/19/54/188511954.db2.gz AVKPXUWPYFJMDB-KBPBESRZSA-N 1 0 276.380 2.021 20 70 CEIDRO Cc1ccc(OC[C@H](O)C[NH2+]CCOC(C)C)c(C)c1 ZINC000160200419 540113252 /nfs/dbraw/zinc/11/32/52/540113252.db2.gz FRSQXCTYQGIYFW-OAHLLOKOSA-N 1 0 281.396 2.058 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000160891814 540126134 /nfs/dbraw/zinc/12/61/34/540126134.db2.gz RSDNWKIOARBQJS-NKWVEPMBSA-N 1 0 290.260 2.243 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC000161031867 540130767 /nfs/dbraw/zinc/13/07/67/540130767.db2.gz PISUNUITLSNWII-NWDGAFQWSA-N 1 0 276.355 2.243 20 70 CEIDRO [NH3+]C1(CC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000161031291 540131239 /nfs/dbraw/zinc/13/12/39/540131239.db2.gz HBXSMOBFEJXSLZ-QWHCGFSZSA-N 1 0 250.386 2.343 20 70 CEIDRO COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161119710 540133694 /nfs/dbraw/zinc/13/36/94/540133694.db2.gz HCIXMWHTLREIME-QWHCGFSZSA-N 1 0 296.798 2.277 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCOc1ccc(C)cc1 ZINC000161243627 540135956 /nfs/dbraw/zinc/13/59/56/540135956.db2.gz RIJXVDXNFKGPGD-HNNXBMFYSA-N 1 0 290.407 2.364 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2c(C)noc2C)CC1 ZINC000159860891 540434442 /nfs/dbraw/zinc/43/44/42/540434442.db2.gz OFPSIQLWNNXHIL-NSHDSACASA-N 1 0 294.399 2.090 20 70 CEIDRO OCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159723266 366943570 /nfs/dbraw/zinc/94/35/70/366943570.db2.gz NBFHJFWWJNAVRF-LLVKDONJSA-N 1 0 261.243 2.154 20 70 CEIDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2c1NCC2 ZINC000159414799 366909585 /nfs/dbraw/zinc/90/95/85/366909585.db2.gz CKTRANYREBPKJI-QGZVFWFLSA-N 1 0 282.387 2.348 20 70 CEIDRO Cc1cscc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159447364 366915403 /nfs/dbraw/zinc/91/54/03/366915403.db2.gz WSVRXMFFTPOGTI-PHIMTYICSA-N 1 0 250.367 2.023 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1=O)CC2 ZINC000159496998 366918960 /nfs/dbraw/zinc/91/89/60/366918960.db2.gz CUHZEZJXNQWJFU-INIZCTEOSA-N 1 0 288.391 2.285 20 70 CEIDRO CC(C)c1ncc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159523606 366922782 /nfs/dbraw/zinc/92/27/82/366922782.db2.gz ZYNPDVITEJYPQU-QWRGUYRKSA-N 1 0 281.425 2.352 20 70 CEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC1(C2CC2)CC1 ZINC000159616112 366932333 /nfs/dbraw/zinc/93/23/33/366932333.db2.gz OOJWFPSIBQMAHE-ZDUSSCGKSA-N 1 0 279.428 2.350 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159626188 366932415 /nfs/dbraw/zinc/93/24/15/366932415.db2.gz HOYBVLXMITZSGP-QWHCGFSZSA-N 1 0 267.417 2.205 20 70 CEIDRO c1nc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159644193 366935587 /nfs/dbraw/zinc/93/55/87/366935587.db2.gz YPLZVPSRBHQRNU-SRVKXCTJSA-N 1 0 250.367 2.190 20 70 CEIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1ccncc1 ZINC000159898241 366958032 /nfs/dbraw/zinc/95/80/32/366958032.db2.gz MAWLCSJJUHIFTP-OAHLLOKOSA-N 1 0 290.411 2.270 20 70 CEIDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000159955878 366960724 /nfs/dbraw/zinc/96/07/24/366960724.db2.gz JZZGNNIVOVRCAF-UHFFFAOYSA-N 1 0 262.353 2.451 20 70 CEIDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1Cc1ccccc1 ZINC000160075330 366972036 /nfs/dbraw/zinc/97/20/36/366972036.db2.gz IIWZYKGBDPPOBX-UHFFFAOYSA-N 1 0 285.391 2.232 20 70 CEIDRO O=C(NCc1ccccc1OCC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000160099992 366973799 /nfs/dbraw/zinc/97/37/99/366973799.db2.gz VWAXXBFXMXWQRD-OAHLLOKOSA-N 1 0 288.391 2.091 20 70 CEIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000160113393 366974699 /nfs/dbraw/zinc/97/46/99/366974699.db2.gz DBXNTAAWYXSXGU-ZFWWWQNUSA-N 1 0 280.387 2.272 20 70 CEIDRO C[C@@H](C(=O)NCCC[NH3+])c1ccc2ccccc2c1 ZINC000160152211 366977646 /nfs/dbraw/zinc/97/76/46/366977646.db2.gz LAXRFDKCGYASAF-GFCCVEGCSA-N 1 0 256.349 2.408 20 70 CEIDRO Cc1ccccc1SCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000160190613 366980990 /nfs/dbraw/zinc/98/09/90/366980990.db2.gz SWFSOJLQEFVOQM-GFCCVEGCSA-N 1 0 264.394 2.037 20 70 CEIDRO C[C@]1([NH2+]Cc2ccc(Br)cn2)CCOC1 ZINC000160189766 366981219 /nfs/dbraw/zinc/98/12/19/366981219.db2.gz HQJQVSHZBWSPBR-NSHDSACASA-N 1 0 271.158 2.113 20 70 CEIDRO CC(C)CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160265952 366988207 /nfs/dbraw/zinc/98/82/07/366988207.db2.gz PHAKMNLMLPTAHU-CQSZACIVSA-N 1 0 276.380 2.285 20 70 CEIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160278819 366989377 /nfs/dbraw/zinc/98/93/77/366989377.db2.gz DWTDIRWELVGMCA-UONOGXRCSA-N 1 0 292.398 2.414 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160326185 366995447 /nfs/dbraw/zinc/99/54/47/366995447.db2.gz UJRUFSMSGJFJBW-WOPDTQHZSA-N 1 0 280.318 2.018 20 70 CEIDRO CC[C@@](C)(CO)[NH2+]Cc1cncc(Br)c1 ZINC000160580926 367019180 /nfs/dbraw/zinc/01/91/80/367019180.db2.gz JICACVJCBJPMEQ-NSHDSACASA-N 1 0 273.174 2.095 20 70 CEIDRO C[C@H](CCCO)[NH2+]Cc1cncc(Br)c1 ZINC000160588551 367021285 /nfs/dbraw/zinc/02/12/85/367021285.db2.gz HMLFBUFCHVVVPX-SECBINFHSA-N 1 0 273.174 2.095 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N1CCc2c1cccc2Cl ZINC000160591442 367021346 /nfs/dbraw/zinc/02/13/46/367021346.db2.gz GKUCJAJNOKJIMS-LBPRGKRZSA-N 1 0 252.745 2.212 20 70 CEIDRO c1nc2ccccn2c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160429053 367005289 /nfs/dbraw/zinc/00/52/89/367005289.db2.gz LSFLBUBVJHVFBH-OAHLLOKOSA-N 1 0 284.407 2.395 20 70 CEIDRO CC1CC[NH+](CC(=O)N(C)c2ccc3c(c2)OCO3)CC1 ZINC000160475785 367009031 /nfs/dbraw/zinc/00/90/31/367009031.db2.gz GCBQVXXHXWSVNJ-UHFFFAOYSA-N 1 0 290.363 2.110 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000160499124 367011125 /nfs/dbraw/zinc/01/11/25/367011125.db2.gz XZLLBQYEMWTOTM-MGPQQGTHSA-N 1 0 250.386 2.023 20 70 CEIDRO Cn1cnnc1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000160806240 367035891 /nfs/dbraw/zinc/03/58/91/367035891.db2.gz UBCFHICYPCLANE-CQSZACIVSA-N 1 0 274.343 2.161 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000160890302 367041019 /nfs/dbraw/zinc/04/10/19/367041019.db2.gz NMDVLVMDBGRXNO-SCRDCRAPSA-N 1 0 280.437 2.375 20 70 CEIDRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC[NH3+])C1 ZINC000161042856 367051336 /nfs/dbraw/zinc/05/13/36/367051336.db2.gz NEAUPWXHMURANB-MFKMUULPSA-N 1 0 250.317 2.084 20 70 CEIDRO CO[C@@H]1CCN(Cc2ccc(F)c(C)c2)[C@@H](C[NH3+])C1 ZINC000161030182 367051542 /nfs/dbraw/zinc/05/15/42/367051542.db2.gz IGZWDMIZRAADIZ-ZIAGYGMSSA-N 1 0 266.360 2.072 20 70 CEIDRO CC(=O)c1cnc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000161086102 367054738 /nfs/dbraw/zinc/05/47/38/367054738.db2.gz IJYWEWPHTFBNCL-OUAUKWLOSA-N 1 0 293.392 2.205 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000161138538 367060933 /nfs/dbraw/zinc/06/09/33/367060933.db2.gz SJMXCGIERHCZPT-GFCCVEGCSA-N 1 0 259.353 2.121 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N1CCc2cc(OC)ccc21 ZINC000161202050 367066595 /nfs/dbraw/zinc/06/65/95/367066595.db2.gz LCJFOZDCLXNCQW-UHFFFAOYSA-N 1 0 276.380 2.349 20 70 CEIDRO C[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)NCc1ccccc1 ZINC000161187835 367067145 /nfs/dbraw/zinc/06/71/45/367067145.db2.gz CRMFCCIKONSRJV-CHWSQXEVSA-N 1 0 260.381 2.470 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000161224333 367070315 /nfs/dbraw/zinc/07/03/15/367070315.db2.gz LXLLKHONLRKIOD-CYBMUJFWSA-N 1 0 285.347 2.166 20 70 CEIDRO C[NH2+]CCNCc1ccc(Br)cc1C ZINC000161273577 367074795 /nfs/dbraw/zinc/07/47/95/367074795.db2.gz HWXSFVZJMOUDPO-UHFFFAOYSA-N 1 0 257.175 2.067 20 70 CEIDRO C[C@H]1CN(CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000161293710 367076227 /nfs/dbraw/zinc/07/62/27/367076227.db2.gz NAENOEABTGGJGM-AWEZNQCLSA-N 1 0 254.418 2.362 20 70 CEIDRO Cc1cccc2c(CCC(=O)NC[C@H]3CC[N@@H+](C)C3)c[nH]c21 ZINC000161308754 367077367 /nfs/dbraw/zinc/07/73/67/367077367.db2.gz MEWPAMHKPPQPOU-CQSZACIVSA-N 1 0 299.418 2.477 20 70 CEIDRO c1ccc2c(c1)CC([NH2+][C@@H]1CCN3CCCC[C@@H]13)C2 ZINC000217698718 370200584 /nfs/dbraw/zinc/20/05/84/370200584.db2.gz MIGSOOFNXCNGJA-SJORKVTESA-N 1 0 256.393 2.370 20 70 CEIDRO Cn1nc(C[NH2+]CCCOCC2CC2)c2ccccc21 ZINC000218080455 370205489 /nfs/dbraw/zinc/20/54/89/370205489.db2.gz XERMOBICDFUEIM-UHFFFAOYSA-N 1 0 273.380 2.480 20 70 CEIDRO Cc1ccccc1O[C@H](C)CNC(=O)C1(C[NH3+])CCCC1 ZINC000161170846 249319541 /nfs/dbraw/zinc/31/95/41/249319541.db2.gz KGHFAQNNCQHCCX-CQSZACIVSA-N 1 0 290.407 2.398 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCSc2ccc(C)cc2)C1 ZINC000160548477 533030867 /nfs/dbraw/zinc/03/08/67/533030867.db2.gz FHMDKLGYEXYYML-ZDUSSCGKSA-N 1 0 278.421 2.298 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000159979733 285210782 /nfs/dbraw/zinc/21/07/82/285210782.db2.gz NQRXOCBBDIEQGV-CQSZACIVSA-N 1 0 285.457 2.009 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@]2(C)CCCS2)CC1 ZINC000159979593 285210789 /nfs/dbraw/zinc/21/07/89/285210789.db2.gz NQRXOCBBDIEQGV-AWEZNQCLSA-N 1 0 285.457 2.009 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159585626 395058606 /nfs/dbraw/zinc/05/86/06/395058606.db2.gz AYUNVERSTCYWGH-ZBFHGGJFSA-N 1 0 272.392 2.378 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1SCCc2sccc21 ZINC000160363295 395060895 /nfs/dbraw/zinc/06/08/95/395060895.db2.gz BVMJGJCRTVZWGU-BXKDBHETSA-N 1 0 282.434 2.028 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161049667 400283823 /nfs/dbraw/zinc/28/38/23/400283823.db2.gz LKVHUFGOBHDYSQ-SNVBAGLBSA-N 1 0 284.429 2.017 20 70 CEIDRO CCc1ncnc(N[C@@H](C)C[NH+](CC)CC)c1F ZINC000217991836 153295360 /nfs/dbraw/zinc/29/53/60/153295360.db2.gz ZSBBVMWVVJTANW-JTQLQIEISA-N 1 0 254.353 2.320 20 70 CEIDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1nnc2n1CCCC2 ZINC000217323387 153296550 /nfs/dbraw/zinc/29/65/50/153296550.db2.gz UJUSKTGCNJCDII-KBPBESRZSA-N 1 0 292.427 2.130 20 70 CEIDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1(C)C ZINC000217895289 153296557 /nfs/dbraw/zinc/29/65/57/153296557.db2.gz VQAUZLGJARTXAE-UONOGXRCSA-N 1 0 276.380 2.079 20 70 CEIDRO CN(C(=O)c1cc2ccccc2o1)[C@@H](C[NH3+])C1CC1 ZINC000159800567 162315611 /nfs/dbraw/zinc/31/56/11/162315611.db2.gz OJWURUNLQVTSBE-LBPRGKRZSA-N 1 0 258.321 2.242 20 70 CEIDRO NC(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000159844162 162317209 /nfs/dbraw/zinc/31/72/09/162317209.db2.gz DWKZGTJTUZZPGD-UHFFFAOYSA-N 1 0 298.390 2.164 20 70 CEIDRO C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159897365 162318218 /nfs/dbraw/zinc/31/82/18/162318218.db2.gz PDYOOCIPNLHDNX-YGRLFVJLSA-N 1 0 296.798 2.303 20 70 CEIDRO COC[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000159914880 162320446 /nfs/dbraw/zinc/32/04/46/162320446.db2.gz JYJUULQPIKYQIF-UONOGXRCSA-N 1 0 277.412 2.232 20 70 CEIDRO O=C(c1cc2ccccc2o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160133284 162323117 /nfs/dbraw/zinc/32/31/17/162323117.db2.gz ZQNIWNMKBZCFRW-BETUJISGSA-N 1 0 270.332 2.399 20 70 CEIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cnccn1 ZINC000160121731 162323542 /nfs/dbraw/zinc/32/35/42/162323542.db2.gz CJQLNQIIUVQHKE-ZDUSSCGKSA-N 1 0 288.370 2.398 20 70 CEIDRO CC[C@@H](COC)[NH2+]CCOc1ccc(F)cc1F ZINC000160093107 162323793 /nfs/dbraw/zinc/32/37/93/162323793.db2.gz PNFXMUYVZRODLN-NSHDSACASA-N 1 0 259.296 2.358 20 70 CEIDRO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)c2ccc(F)cc2O1 ZINC000161104431 274324528 /nfs/dbraw/zinc/32/45/28/274324528.db2.gz GBUMUVZRECKOQR-PWSUYJOCSA-N 1 0 278.327 2.082 20 70 CEIDRO CC(C)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159585517 276027465 /nfs/dbraw/zinc/02/74/65/276027465.db2.gz AYUNVERSTCYWGH-GOEBONIOSA-N 1 0 272.392 2.378 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(F)cc1F)C1CC1 ZINC000159584807 297429191 /nfs/dbraw/zinc/42/91/91/297429191.db2.gz CDNPUTYUDQWRBU-HNNXBMFYSA-N 1 0 296.361 2.354 20 70 CEIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160585344 297438607 /nfs/dbraw/zinc/43/86/07/297438607.db2.gz HJWOFJZMPUUCGZ-XHSDSOJGSA-N 1 0 296.455 2.308 20 70 CEIDRO CS[C@@H](C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000160606972 297439051 /nfs/dbraw/zinc/43/90/51/297439051.db2.gz OEJGGZPSBMYPFR-ZFWWWQNUSA-N 1 0 294.464 2.417 20 70 CEIDRO CC(C)C[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000161472871 519409724 /nfs/dbraw/zinc/40/97/24/519409724.db2.gz HXPPNTBJTXTAMF-UKRRQHHQSA-N 1 0 252.402 2.271 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)CSC(C)(C)C)CC1 ZINC000160356520 519848507 /nfs/dbraw/zinc/84/85/07/519848507.db2.gz MKKMSJACJSEWOM-UHFFFAOYSA-N 1 0 272.458 2.462 20 70 CEIDRO [NH3+]C1(CNC(=O)CSCc2cccnc2)CCCCC1 ZINC000159522083 534536418 /nfs/dbraw/zinc/53/64/18/534536418.db2.gz JOUUPGFTZIKLEZ-UHFFFAOYSA-N 1 0 293.436 2.093 20 70 CEIDRO CC[NH+]1CCC(N(C)C(=O)c2ccnn2C(C)C)CC1 ZINC000161233275 521557823 /nfs/dbraw/zinc/55/78/23/521557823.db2.gz LBOMYOMHVVCRTN-UHFFFAOYSA-N 1 0 278.400 2.020 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000161341262 522420607 /nfs/dbraw/zinc/42/06/07/522420607.db2.gz LURNNPUCNBICDB-VXGBXAGGSA-N 1 0 291.395 2.402 20 70 CEIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000161419334 523198258 /nfs/dbraw/zinc/19/82/58/523198258.db2.gz MQQTYAJSHYNRBB-KGLIPLIRSA-N 1 0 288.395 2.054 20 70 CEIDRO O=C(Cc1ccc2c(c1)CCCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159818707 534709120 /nfs/dbraw/zinc/70/91/20/534709120.db2.gz RDNRVPGZYYNDHW-HDICACEKSA-N 1 0 298.430 2.461 20 70 CEIDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000161307286 523980134 /nfs/dbraw/zinc/98/01/34/523980134.db2.gz BUKXIZCWVOCCOH-MPKXVKKWSA-N 1 0 294.345 2.136 20 70 CEIDRO C[C@@H]1CCC[C@@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000160680125 524267134 /nfs/dbraw/zinc/26/71/34/524267134.db2.gz IQPQJAKWZAWGDF-HUUCEWRRSA-N 1 0 282.428 2.041 20 70 CEIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(-n2cncn2)cc1Cl ZINC000160630162 525309392 /nfs/dbraw/zinc/30/93/92/525309392.db2.gz JERQEPDIJXGLNZ-JTQLQIEISA-N 1 0 294.786 2.342 20 70 CEIDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609474 525477942 /nfs/dbraw/zinc/47/79/42/525477942.db2.gz BHSOUZZVUAAMBP-NEPJUHHUSA-N 1 0 282.347 2.253 20 70 CEIDRO Cc1ccc([C@@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159661194 525681519 /nfs/dbraw/zinc/68/15/19/525681519.db2.gz WNHOVVHSSDMUIJ-ZFWWWQNUSA-N 1 0 260.381 2.357 20 70 CEIDRO Oc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159475900 526361784 /nfs/dbraw/zinc/36/17/84/526361784.db2.gz PGFIMIODQMIPNV-ZNMIVQPWSA-N 1 0 259.349 2.439 20 70 CEIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@H]1CCOC1 ZINC000160966188 527175165 /nfs/dbraw/zinc/17/51/65/527175165.db2.gz XBLPVRPAGZQIEN-CYBMUJFWSA-N 1 0 259.353 2.111 20 70 CEIDRO Cc1nc2ccccn2c1CN1CC[C@H](C[NH+](C)C)C1 ZINC000160400567 527177405 /nfs/dbraw/zinc/17/74/05/527177405.db2.gz ZZQIDKGTBVSEGX-CQSZACIVSA-N 1 0 272.396 2.026 20 70 CEIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000160098415 527254923 /nfs/dbraw/zinc/25/49/23/527254923.db2.gz POAIBVFOBNCBBG-MNOVXSKESA-N 1 0 298.333 2.245 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCC1CCCCC1 ZINC000160120066 527850326 /nfs/dbraw/zinc/85/03/26/527850326.db2.gz XPQROPKZTQYEHM-VBQJREDUSA-N 1 0 294.439 2.215 20 70 CEIDRO CC[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000160465273 529199803 /nfs/dbraw/zinc/19/98/03/529199803.db2.gz KZRVWUDUTBXLKD-ZDUSSCGKSA-N 1 0 261.431 2.464 20 70 CEIDRO CC(C)CN(CC(C)C)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159512775 344454881 /nfs/dbraw/zinc/45/48/81/344454881.db2.gz HAAOZXUQJCEXRL-HOTGVXAUSA-N 1 0 298.471 2.220 20 70 CEIDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000159497243 344454988 /nfs/dbraw/zinc/45/49/88/344454988.db2.gz HUOJCMYGUMMOOU-RISCZKNCSA-N 1 0 278.421 2.452 20 70 CEIDRO COC(=O)[C@@H](NCCC[NH+]1CCCCC1)C(C)(C)C ZINC000161440817 344464005 /nfs/dbraw/zinc/46/40/05/344464005.db2.gz IYQGHUXPITVDTJ-CYBMUJFWSA-N 1 0 270.417 2.040 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1nn(C)c2ccccc12 ZINC000218185848 344536266 /nfs/dbraw/zinc/53/62/66/344536266.db2.gz VSZJGSOWFDHWJU-CYBMUJFWSA-N 1 0 274.412 2.393 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)NCCc1cc2ccccc2o1 ZINC000160488625 188476380 /nfs/dbraw/zinc/47/63/80/188476380.db2.gz YFJMCZFXVXVSGL-UHFFFAOYSA-N 1 0 286.375 2.481 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000160688494 188486701 /nfs/dbraw/zinc/48/67/01/188486701.db2.gz VWFBWKFYUVKXEG-YBJDMEARSA-N 1 0 270.332 2.266 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 ZINC000160604032 188482967 /nfs/dbraw/zinc/48/29/67/188482967.db2.gz PUIXFSKQYNSVND-CYBMUJFWSA-N 1 0 287.338 2.116 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000161149713 188511463 /nfs/dbraw/zinc/51/14/63/188511463.db2.gz CIHBQPUEJVKXJL-GFCCVEGCSA-N 1 0 259.353 2.121 20 70 CEIDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CCOC(C)C ZINC000160202486 540113323 /nfs/dbraw/zinc/11/33/23/540113323.db2.gz PYELINCYGNHQPO-HNNXBMFYSA-N 1 0 281.396 2.058 20 70 CEIDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160210861 540113514 /nfs/dbraw/zinc/11/35/14/540113514.db2.gz ZHVKIDZGVVBFTO-OAHLLOKOSA-N 1 0 281.396 2.058 20 70 CEIDRO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160788678 540123158 /nfs/dbraw/zinc/12/31/58/540123158.db2.gz DKUBDVWRUMHUJX-NEPJUHHUSA-N 1 0 299.374 2.249 20 70 CEIDRO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000160802847 540124046 /nfs/dbraw/zinc/12/40/46/540124046.db2.gz RYJRRUHVEKOWAC-UONOGXRCSA-N 1 0 278.371 2.489 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC000161381373 540137557 /nfs/dbraw/zinc/13/75/57/540137557.db2.gz HZTZZSQVQPWIAQ-ZIAGYGMSSA-N 1 0 276.380 2.232 20 70 CEIDRO Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161399455 540137592 /nfs/dbraw/zinc/13/75/92/540137592.db2.gz KHOJZLMULQHCJX-CHWSQXEVSA-N 1 0 296.798 2.413 20 70 CEIDRO Cc1c(Cl)cccc1OCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161459971 540138315 /nfs/dbraw/zinc/13/83/15/540138315.db2.gz KSPQYYVNAFRZRB-VXGBXAGGSA-N 1 0 296.798 2.413 20 70 CEIDRO CCCc1ncc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161192381 540135146 /nfs/dbraw/zinc/13/51/46/540135146.db2.gz MDNFJDNRATYKNR-ZJUUUORDSA-N 1 0 267.398 2.095 20 70 CEIDRO O=C(CCCn1ccnc1)N[C@H]1CCOC2(CCCC2)C1 ZINC000159628348 540420971 /nfs/dbraw/zinc/42/09/71/540420971.db2.gz XRBGYJKRBYHMFR-AWEZNQCLSA-N 1 0 291.395 2.271 20 70 CEIDRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CCO1 ZINC000159977640 540441561 /nfs/dbraw/zinc/44/15/61/540441561.db2.gz VCCDGWKLMMTKFV-YPMHNXCESA-N 1 0 276.380 2.300 20 70 CEIDRO Cc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cn1 ZINC000161390066 540808273 /nfs/dbraw/zinc/80/82/73/540808273.db2.gz FZSSORVSOLYILZ-UHFFFAOYSA-N 1 0 276.384 2.243 20 70 CEIDRO CS[C@H](C)CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000159751624 366944229 /nfs/dbraw/zinc/94/42/29/366944229.db2.gz SLSKCDKMIFRORQ-YNEHKIRRSA-N 1 0 287.473 2.158 20 70 CEIDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159433317 366912862 /nfs/dbraw/zinc/91/28/62/366912862.db2.gz HAPGYTKMWUOMLK-GHMZBOCLSA-N 1 0 284.787 2.288 20 70 CEIDRO CC(C)(C)Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)n[nH]1 ZINC000159439043 366913039 /nfs/dbraw/zinc/91/30/39/366913039.db2.gz GPVAMRWZVFTWMQ-SNVBAGLBSA-N 1 0 264.373 2.079 20 70 CEIDRO CC(C)(C)Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000159438910 366913118 /nfs/dbraw/zinc/91/31/18/366913118.db2.gz GPVAMRWZVFTWMQ-JTQLQIEISA-N 1 0 264.373 2.079 20 70 CEIDRO COc1ccccc1CC(=O)NCC1([NH3+])CCCCC1 ZINC000159457082 366914541 /nfs/dbraw/zinc/91/45/41/366914541.db2.gz IEUGQECYHMESKC-UHFFFAOYSA-N 1 0 276.380 2.016 20 70 CEIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)s1 ZINC000159552691 366925655 /nfs/dbraw/zinc/92/56/55/366925655.db2.gz WWBIRDAGOVAZTO-UHFFFAOYSA-N 1 0 252.383 2.448 20 70 CEIDRO CC[C@H](CCO)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000159562975 366927045 /nfs/dbraw/zinc/92/70/45/366927045.db2.gz VTAMTQWIXRANQG-CABCVRRESA-N 1 0 263.381 2.303 20 70 CEIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1CCC[NH2+]C1 ZINC000159603435 366931399 /nfs/dbraw/zinc/93/13/99/366931399.db2.gz VMBBULLBMDUKJJ-LBPRGKRZSA-N 1 0 272.348 2.144 20 70 CEIDRO CN(c1nc(C(C)(C)C)ns1)[C@H]1CCC[N@H+](C)C1 ZINC000159652368 366935624 /nfs/dbraw/zinc/93/56/24/366935624.db2.gz JIINGOKFKSMDMH-JTQLQIEISA-N 1 0 268.430 2.366 20 70 CEIDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159650673 366935857 /nfs/dbraw/zinc/93/58/57/366935857.db2.gz YQAJEORUMKDAOD-NSHDSACASA-N 1 0 292.427 2.386 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCc2cc(F)ccc2F)CC1 ZINC000159824667 366950966 /nfs/dbraw/zinc/95/09/66/366950966.db2.gz XOFIHOBHXOBKOI-UHFFFAOYSA-N 1 0 297.349 2.202 20 70 CEIDRO COC(=O)CCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159870652 366956823 /nfs/dbraw/zinc/95/68/23/366956823.db2.gz ZDZFASDQMHGMOV-UHFFFAOYSA-N 1 0 264.369 2.138 20 70 CEIDRO Cc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000160049211 366968670 /nfs/dbraw/zinc/96/86/70/366968670.db2.gz DVHRPHRXPZRVKD-GRDNDAEWSA-N 1 0 288.391 2.466 20 70 CEIDRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160075296 366971815 /nfs/dbraw/zinc/97/18/15/366971815.db2.gz JBXGSUAOXGLNPQ-LLVKDONJSA-N 1 0 284.787 2.351 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000160111677 366975185 /nfs/dbraw/zinc/97/51/85/366975185.db2.gz XDWICIGFMHPRKV-UHFFFAOYSA-N 1 0 285.347 2.341 20 70 CEIDRO COC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000160148647 366976622 /nfs/dbraw/zinc/97/66/22/366976622.db2.gz YTNSJIDYUZQFKR-MRXNPFEDSA-N 1 0 280.387 2.272 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC1CCCC1 ZINC000160232272 366985815 /nfs/dbraw/zinc/98/58/15/366985815.db2.gz VSKXPBKILPRJOM-VBQJREDUSA-N 1 0 294.439 2.215 20 70 CEIDRO Cc1cccc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000160247543 366985943 /nfs/dbraw/zinc/98/59/43/366985943.db2.gz FEXUQXVCOFMQOU-GOEBONIOSA-N 1 0 262.397 2.102 20 70 CEIDRO C[C@H]1OCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000160284409 366990320 /nfs/dbraw/zinc/99/03/20/366990320.db2.gz DZQWTLJWFSRKES-ZIAGYGMSSA-N 1 0 296.455 2.380 20 70 CEIDRO CCCCOCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000160304147 366992016 /nfs/dbraw/zinc/99/20/16/366992016.db2.gz TZLSOLIAVRHRCJ-INIZCTEOSA-N 1 0 278.396 2.184 20 70 CEIDRO CC[N@@H+]1CCN(C(=O)NC2CCCCC2)C[C@@H]1C ZINC000160570025 367017898 /nfs/dbraw/zinc/01/78/98/367017898.db2.gz UQEFDYVKOWGMCQ-LBPRGKRZSA-N 1 0 253.390 2.055 20 70 CEIDRO Cc1cc(C)cc(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000160590600 367020508 /nfs/dbraw/zinc/02/05/08/367020508.db2.gz KURSVXXWGLGGRG-CQSZACIVSA-N 1 0 262.397 2.336 20 70 CEIDRO Cc1cc(C)cc(CCNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000160592469 367021137 /nfs/dbraw/zinc/02/11/37/367021137.db2.gz TVESLKJFGPLBGG-OAHLLOKOSA-N 1 0 260.381 2.104 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1NC(C)=O ZINC000160637445 367023515 /nfs/dbraw/zinc/02/35/15/367023515.db2.gz UFHNQKJJJIGEHO-SNVBAGLBSA-N 1 0 280.368 2.075 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000160378532 367000883 /nfs/dbraw/zinc/00/08/83/367000883.db2.gz FMOJZCHXHIVTRR-CQSZACIVSA-N 1 0 288.391 2.011 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000160376391 367000993 /nfs/dbraw/zinc/00/09/93/367000993.db2.gz NPQDBFHYJFSWQY-MJBXVCDLSA-N 1 0 288.391 2.139 20 70 CEIDRO CC[NH+](CC)CCN(CCOC)c1ccnc(C(C)C)n1 ZINC000160432503 367005766 /nfs/dbraw/zinc/00/57/66/367005766.db2.gz TYTFTNNYEKPGKA-UHFFFAOYSA-N 1 0 294.443 2.395 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000160487562 367011062 /nfs/dbraw/zinc/01/10/62/367011062.db2.gz SVCDAXJTCFFCHH-ZDUSSCGKSA-N 1 0 278.396 2.396 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000160917654 367042163 /nfs/dbraw/zinc/04/21/63/367042163.db2.gz SGIMWXHFNUNEQW-FPMFFAJLSA-N 1 0 282.409 2.088 20 70 CEIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160972271 367047083 /nfs/dbraw/zinc/04/70/83/367047083.db2.gz JRCCPBIXRKPTKY-QWHCGFSZSA-N 1 0 278.396 2.301 20 70 CEIDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000160996762 367047971 /nfs/dbraw/zinc/04/79/71/367047971.db2.gz QUKAEUHZMYHXFV-OAHLLOKOSA-N 1 0 278.396 2.336 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccncc1 ZINC000160986909 367048660 /nfs/dbraw/zinc/04/86/60/367048660.db2.gz XRGCLWWDSXMYMP-IACUBPJLSA-N 1 0 282.409 2.088 20 70 CEIDRO Cc1ccc(C[C@H]([NH2+]CC(=O)NC(C)C)C2CC2)cc1 ZINC000161009253 367050073 /nfs/dbraw/zinc/05/00/73/367050073.db2.gz NBSPRUPJBIYFTG-INIZCTEOSA-N 1 0 274.408 2.430 20 70 CEIDRO CO[C@H]1CCN(Cc2ccc(F)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000161029177 367050975 /nfs/dbraw/zinc/05/09/75/367050975.db2.gz GFHLAFKPJNJAAD-RYUDHWBXSA-N 1 0 286.778 2.417 20 70 CEIDRO CCn1cc([C@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)cn1 ZINC000161339726 367080164 /nfs/dbraw/zinc/08/01/64/367080164.db2.gz ZRLOPPCMTZHXKS-LRDDRELGSA-N 1 0 289.379 2.296 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161067509 367053148 /nfs/dbraw/zinc/05/31/48/367053148.db2.gz SZAYDLKAHRTTDG-KGLIPLIRSA-N 1 0 250.386 2.071 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000161098575 367056763 /nfs/dbraw/zinc/05/67/63/367056763.db2.gz CCKDHWSISVAKSD-BIGNPOOSSA-N 1 0 264.344 2.303 20 70 CEIDRO CC[C@@H](C(=O)N[C@H](C)Cc1ccccc1F)[NH+](C)C ZINC000161128738 367059282 /nfs/dbraw/zinc/05/92/82/367059282.db2.gz HVPNNDOJIWGBKY-RISCZKNCSA-N 1 0 266.360 2.213 20 70 CEIDRO Cc1nc(CC(=O)NC2CC[NH+](C3CC3)CC2)c(C)s1 ZINC000161247629 367071938 /nfs/dbraw/zinc/07/19/38/367071938.db2.gz KFXPVCGVXDZBIK-UHFFFAOYSA-N 1 0 293.436 2.045 20 70 CEIDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1sccc1Br ZINC000160679298 367027314 /nfs/dbraw/zinc/02/73/14/367027314.db2.gz BICIEKJQMCXDQG-RNFRBKRXSA-N 1 0 291.214 2.425 20 70 CEIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N(C)C ZINC000161470895 367088899 /nfs/dbraw/zinc/08/88/99/367088899.db2.gz KSRQUHNJTUNGHJ-LBPRGKRZSA-N 1 0 294.395 2.002 20 70 CEIDRO O[C@H](Cc1ccccc1)C[N@@H+]1CCCSCC1 ZINC000161479549 367088940 /nfs/dbraw/zinc/08/89/40/367088940.db2.gz BRUVCBZIMAQDQV-CQSZACIVSA-N 1 0 251.395 2.029 20 70 CEIDRO COc1ccccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217644795 370198270 /nfs/dbraw/zinc/19/82/70/370198270.db2.gz GSKIFJKDFBAYMS-GJZGRUSLSA-N 1 0 260.381 2.412 20 70 CEIDRO COC(=O)c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)oc1C ZINC000218129921 370205587 /nfs/dbraw/zinc/20/55/87/370205587.db2.gz DNGZTXLWAULQQS-GJZGRUSLSA-N 1 0 292.379 2.091 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159585411 395058019 /nfs/dbraw/zinc/05/80/19/395058019.db2.gz AYUNVERSTCYWGH-GDBMZVCRSA-N 1 0 272.392 2.378 20 70 CEIDRO CCS[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000159766927 395059171 /nfs/dbraw/zinc/05/91/71/395059171.db2.gz JROAZFWNNXQALH-NEPJUHHUSA-N 1 0 258.431 2.104 20 70 CEIDRO COC(C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C)OC ZINC000161431635 292078825 /nfs/dbraw/zinc/07/88/25/292078825.db2.gz DODFALRNRZRSRA-HNNXBMFYSA-N 1 0 281.396 2.124 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000161052099 400283918 /nfs/dbraw/zinc/28/39/18/400283918.db2.gz IVIBYVHORAUJAA-NXEZZACHSA-N 1 0 254.761 2.077 20 70 CEIDRO CCSc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000217121326 400306523 /nfs/dbraw/zinc/30/65/23/400306523.db2.gz IIFATOKIWWUIAL-LLVKDONJSA-N 1 0 264.394 2.233 20 70 CEIDRO c1cnc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cn1 ZINC000218441976 400308480 /nfs/dbraw/zinc/30/84/80/400308480.db2.gz KDTJLCKHCNGXKN-AXFHLTTASA-N 1 0 271.324 2.120 20 70 CEIDRO c1cnc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cn1 ZINC000218442040 400308684 /nfs/dbraw/zinc/30/86/84/400308684.db2.gz KDTJLCKHCNGXKN-MXWKQRLJSA-N 1 0 271.324 2.120 20 70 CEIDRO C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cnn(C)c1 ZINC000217442821 153296070 /nfs/dbraw/zinc/29/60/70/153296070.db2.gz BBRCCYXFCUVZKU-UONOGXRCSA-N 1 0 264.417 2.335 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1COc1ccccc1 ZINC000159846189 162316697 /nfs/dbraw/zinc/31/66/97/162316697.db2.gz SJAPISDFYUFGEP-UKRRQHHQSA-N 1 0 276.380 2.184 20 70 CEIDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000159819962 162317153 /nfs/dbraw/zinc/31/71/53/162317153.db2.gz CCRWPJAPAZMTHW-HNNXBMFYSA-N 1 0 256.353 2.461 20 70 CEIDRO COc1cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])cc2c1OCO2 ZINC000159980711 162318491 /nfs/dbraw/zinc/31/84/91/162318491.db2.gz AGFYDPQVMWRJQW-YPMHNXCESA-N 1 0 292.379 2.126 20 70 CEIDRO COC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc21)C1CC1 ZINC000159940372 162319441 /nfs/dbraw/zinc/31/94/41/162319441.db2.gz YQPDXNRTAZDVCA-BBRMVZONSA-N 1 0 274.408 2.452 20 70 CEIDRO CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000160038663 162322936 /nfs/dbraw/zinc/32/29/36/162322936.db2.gz KEBQNORBDRQCOM-HIFRSBDPSA-N 1 0 277.412 2.441 20 70 CEIDRO COC(=O)c1cc(C[NH2+]CC2(CO)CCCC2)oc1C ZINC000160098253 162323070 /nfs/dbraw/zinc/32/30/70/162323070.db2.gz WRPVCRFXULAWQF-UHFFFAOYSA-N 1 0 281.352 2.017 20 70 CEIDRO COc1c(C[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)c(C)nn1C ZINC000160118361 162323663 /nfs/dbraw/zinc/32/36/63/162323663.db2.gz MPPFGCFSWUVSLZ-AGIUHOORSA-N 1 0 261.369 2.039 20 70 CEIDRO CC1CCN(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000160321700 162328606 /nfs/dbraw/zinc/32/86/06/162328606.db2.gz QBRJXWPKESXNKH-UHFFFAOYSA-N 1 0 255.406 2.016 20 70 CEIDRO CC(C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000159610824 275589363 /nfs/dbraw/zinc/58/93/63/275589363.db2.gz ROUQTQGHAGCEMI-JKSUJKDBSA-N 1 0 274.408 2.451 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H]1c2cc(F)ccc2C[C@@H]1C ZINC000159433601 277213985 /nfs/dbraw/zinc/21/39/85/277213985.db2.gz MCTLDPONWNSJLS-LRDDRELGSA-N 1 0 280.387 2.227 20 70 CEIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161071049 279178278 /nfs/dbraw/zinc/17/82/78/279178278.db2.gz BSPPDAZMYCADSC-IHRRRGAJSA-N 1 0 252.402 2.445 20 70 CEIDRO CC[C@@H](COC)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159833203 280153288 /nfs/dbraw/zinc/15/32/88/280153288.db2.gz LXKXXJKEBRKTDA-YOEHRIQHSA-N 1 0 276.424 2.448 20 70 CEIDRO CCOCCC1(CNC(=O)C[NH+](CC)CC)CCC1 ZINC000161393936 297444313 /nfs/dbraw/zinc/44/43/13/297444313.db2.gz CCESSHPKSKWAEC-UHFFFAOYSA-N 1 0 270.417 2.041 20 70 CEIDRO CCS[C@@H]1CCCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000159766736 312633534 /nfs/dbraw/zinc/63/35/34/312633534.db2.gz JROAZFWNNXQALH-VXGBXAGGSA-N 1 0 258.431 2.104 20 70 CEIDRO CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)CCC[NH3+] ZINC000159774520 312634190 /nfs/dbraw/zinc/63/41/90/312634190.db2.gz NUMKVFUJGLSOGJ-CQSZACIVSA-N 1 0 296.386 2.474 20 70 CEIDRO CC[NH+](CC)CCSc1nc(C(C)C)nc(N(C)C)n1 ZINC000160146615 312636114 /nfs/dbraw/zinc/63/61/14/312636114.db2.gz LCAGGFNQJVSFNN-UHFFFAOYSA-N 1 0 297.472 2.495 20 70 CEIDRO CCn1c(C[NH2+][C@@]2(C)CCOC2)nc2ccccc21 ZINC000160191521 312636902 /nfs/dbraw/zinc/63/69/02/312636902.db2.gz ROURIJYXYPLTLS-HNNXBMFYSA-N 1 0 259.353 2.325 20 70 CEIDRO CS[C@@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000161174474 312643439 /nfs/dbraw/zinc/64/34/39/312643439.db2.gz GOUUIZWEYSPQKL-RYUDHWBXSA-N 1 0 260.447 2.221 20 70 CEIDRO CCOCCN(CC)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160842320 519907066 /nfs/dbraw/zinc/90/70/66/519907066.db2.gz TXVRTOKNTSXNRP-AWEZNQCLSA-N 1 0 297.443 2.071 20 70 CEIDRO CCCOC(=O)[C@@H](C)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160416803 520217617 /nfs/dbraw/zinc/21/76/17/520217617.db2.gz WYHYRIRWUFBMAO-HUUCEWRRSA-N 1 0 282.428 2.278 20 70 CEIDRO CCCSCC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160393254 520549591 /nfs/dbraw/zinc/54/95/91/520549591.db2.gz ILPZNEJSDVNHJJ-UHFFFAOYSA-N 1 0 258.431 2.074 20 70 CEIDRO CCCCO[C@H](C)C(=O)N1CCC[N@H+](CCC)CC1 ZINC000160366337 520833536 /nfs/dbraw/zinc/83/35/36/520833536.db2.gz JSDJDQWFJBHHLJ-CQSZACIVSA-N 1 0 270.417 2.136 20 70 CEIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nnc(C)s1 ZINC000160542585 521659474 /nfs/dbraw/zinc/65/94/74/521659474.db2.gz UCDKCZRIQAMIAP-UHFFFAOYSA-N 1 0 299.444 2.432 20 70 CEIDRO COC[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)C(C)C ZINC000161175999 522351288 /nfs/dbraw/zinc/35/12/88/522351288.db2.gz PRDQBXSXUJLZGB-CQSZACIVSA-N 1 0 294.443 2.198 20 70 CEIDRO CC[C@@H](COC)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160713104 522593168 /nfs/dbraw/zinc/59/31/68/522593168.db2.gz ZCSRORVYGWSITJ-RYUDHWBXSA-N 1 0 262.353 2.127 20 70 CEIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCCCN2CC)cn1 ZINC000161189497 523455207 /nfs/dbraw/zinc/45/52/07/523455207.db2.gz RIMQPLSKJSXPKP-HIFRSBDPSA-N 1 0 264.417 2.428 20 70 CEIDRO COc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000160603969 523966745 /nfs/dbraw/zinc/96/67/45/523966745.db2.gz SAOSALAADDEKHO-GFCCVEGCSA-N 1 0 296.798 2.007 20 70 CEIDRO CSCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161324657 525393980 /nfs/dbraw/zinc/39/39/80/525393980.db2.gz GRDLNOHHNDMBBI-FUNVUKJBSA-N 1 0 270.442 2.261 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000160948723 574513064 /nfs/dbraw/zinc/51/30/64/574513064.db2.gz HPNPAQMBDNZGBI-NXEZZACHSA-N 1 0 284.306 2.288 20 70 CEIDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCCS(C)(=O)=O ZINC000161370367 539279431 /nfs/dbraw/zinc/27/94/31/539279431.db2.gz IJDWIFZYGKCITD-CHWSQXEVSA-N 1 0 261.431 2.322 20 70 CEIDRO C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000159515210 344454974 /nfs/dbraw/zinc/45/49/74/344454974.db2.gz JLCIWXNRFWZYRS-VXGBXAGGSA-N 1 0 266.410 2.310 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000160255308 344458368 /nfs/dbraw/zinc/45/83/68/344458368.db2.gz CCPGUOBKAFGGFZ-AWEZNQCLSA-N 1 0 281.396 2.058 20 70 CEIDRO COc1ccc(CCNC(=O)CC[NH2+]C(C)C)c(Cl)c1 ZINC000160600773 344460083 /nfs/dbraw/zinc/46/00/83/344460083.db2.gz IVNVGMGECOHGMH-UHFFFAOYSA-N 1 0 298.814 2.395 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000159381313 232246575 /nfs/dbraw/zinc/24/65/75/232246575.db2.gz SGBOTYCMZJBTLF-FZMZJTMJSA-N 1 0 294.345 2.327 20 70 CEIDRO COCC(C)(C)NC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160929898 232252306 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CCCn1nccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000159983800 540109036 /nfs/dbraw/zinc/10/90/36/540109036.db2.gz CHXMUGHRJCTEGX-CQSZACIVSA-N 1 0 287.363 2.223 20 70 CEIDRO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000160819373 540124369 /nfs/dbraw/zinc/12/43/69/540124369.db2.gz UJYDALRWDSIDIV-KGLIPLIRSA-N 1 0 278.371 2.489 20 70 CEIDRO Cc1cc(C)cc(OCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160865978 540125772 /nfs/dbraw/zinc/12/57/72/540125772.db2.gz CVHBPCHJVNLWEA-GJZGRUSLSA-N 1 0 290.407 2.458 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160878027 540126215 /nfs/dbraw/zinc/12/62/15/540126215.db2.gz PHFVDSAIMSETDK-CHWSQXEVSA-N 1 0 285.347 2.341 20 70 CEIDRO Cc1ccccc1SCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160960876 540128565 /nfs/dbraw/zinc/12/85/65/540128565.db2.gz RZTZXNJXSYZFJW-STQMWFEESA-N 1 0 278.421 2.473 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000161037425 540131641 /nfs/dbraw/zinc/13/16/41/540131641.db2.gz 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NC(=O)CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000159804159 366949101 /nfs/dbraw/zinc/94/91/01/366949101.db2.gz DTJQDNBIVMLINO-OWOJBTEDSA-N 1 0 276.355 2.426 20 70 CEIDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159813471 366950869 /nfs/dbraw/zinc/95/08/69/366950869.db2.gz LXFMGKZNQKWMJT-KBPBESRZSA-N 1 0 275.396 2.449 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cccc(C)c2)CC1 ZINC000159787233 366947830 /nfs/dbraw/zinc/94/78/30/366947830.db2.gz SBSGTVISBGXPTM-UHFFFAOYSA-N 1 0 289.423 2.275 20 70 CEIDRO Cc1cc2occ(CC(=O)NCC(C)(C)[NH3+])c2cc1C ZINC000159948784 366960834 /nfs/dbraw/zinc/96/08/34/366960834.db2.gz HBKGLYSASJUATP-UHFFFAOYSA-N 1 0 274.364 2.446 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000159953252 366961059 /nfs/dbraw/zinc/96/10/59/366961059.db2.gz MZLBDKRMDWRIDC-LBPRGKRZSA-N 1 0 296.440 2.250 20 70 CEIDRO C[N@@H+]1CC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159970088 366962265 /nfs/dbraw/zinc/96/22/65/366962265.db2.gz OKPAAFZDNCWXOM-GFCCVEGCSA-N 1 0 252.402 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C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000160893338 367041443 /nfs/dbraw/zinc/04/14/43/367041443.db2.gz APWSXYPUAGHQAA-GZBFAFLISA-N 1 0 260.381 2.294 20 70 CEIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000160905696 367042192 /nfs/dbraw/zinc/04/21/92/367042192.db2.gz POVIHYNDLUOMCX-YUELXQCFSA-N 1 0 258.365 2.143 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160907436 367043080 /nfs/dbraw/zinc/04/30/80/367043080.db2.gz MDCBFHJFJRMUED-NWANDNLSSA-N 1 0 292.448 2.471 20 70 CEIDRO CC[N@H+](CCOc1ccc(OC)cc1)Cc1cnn(C)c1 ZINC000161075577 367053735 /nfs/dbraw/zinc/05/37/35/367053735.db2.gz KMTFMRKRCLLDDL-UHFFFAOYSA-N 1 0 289.379 2.330 20 70 CEIDRO CCCCn1ncc(C(=O)NCC(C)(C)C[NH+](C)C)c1C ZINC000161086895 367054771 /nfs/dbraw/zinc/05/47/71/367054771.db2.gz IFPHIQABTOLVBL-UHFFFAOYSA-N 1 0 294.443 2.309 20 70 CEIDRO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1O ZINC000161085598 367055353 /nfs/dbraw/zinc/05/53/53/367055353.db2.gz 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CCc1ccsc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159470849 162309645 /nfs/dbraw/zinc/30/96/45/162309645.db2.gz MIHZPELVGOWVOF-TXEJJXNPSA-N 1 0 264.394 2.277 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1OC1CCC1 ZINC000159710074 162313280 /nfs/dbraw/zinc/31/32/80/162313280.db2.gz QNWAPDJLHFQCPY-GFCCVEGCSA-N 1 0 276.380 2.090 20 70 CEIDRO CN(C(=O)c1nccc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159833777 162315634 /nfs/dbraw/zinc/31/56/34/162315634.db2.gz ACHGJAJAXBGIFH-AWEZNQCLSA-N 1 0 269.348 2.044 20 70 CEIDRO C[N@H+](CCNc1nnc(C(F)(F)F)s1)C1CC1 ZINC000160164053 162321696 /nfs/dbraw/zinc/32/16/96/162321696.db2.gz NZPQAKLQZKVDRP-UHFFFAOYSA-N 1 0 266.292 2.063 20 70 CEIDRO CCOc1ccccc1/C=C\C(=O)NCc1ncc[nH]1 ZINC000217006929 262275024 /nfs/dbraw/zinc/27/50/24/262275024.db2.gz NHWHTHQQMJZWQD-FPLPWBNLSA-N 1 0 271.320 2.138 20 70 CEIDRO CC1CCN(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000160678183 276194360 /nfs/dbraw/zinc/19/43/60/276194360.db2.gz CQUBXOXJYTYRNP-CQSZACIVSA-N 1 0 265.401 2.008 20 70 CEIDRO CCOCCC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000159478644 276315101 /nfs/dbraw/zinc/31/51/01/276315101.db2.gz BKFAVSIUKOAKHT-UHFFFAOYSA-N 1 0 296.436 2.323 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000160117791 276631545 /nfs/dbraw/zinc/63/15/45/276631545.db2.gz HXLANVDENGZLFX-NSHDSACASA-N 1 0 290.392 2.498 20 70 CEIDRO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160525063 279353389 /nfs/dbraw/zinc/35/33/89/279353389.db2.gz UXFQFUWQJHZDDU-CQSZACIVSA-N 1 0 282.428 2.325 20 70 CEIDRO C[C@H](CSc1ccccc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160328103 279366272 /nfs/dbraw/zinc/36/62/72/279366272.db2.gz UBEHJJWYFMLVQH-CHWSQXEVSA-N 1 0 278.421 2.365 20 70 CEIDRO C[C@H]1Cc2ccccc2[C@H]1NC(=O)C1CC[NH2+]CC1 ZINC000159881708 280034623 /nfs/dbraw/zinc/03/46/23/280034623.db2.gz NCQGTFGFPIAKNU-NHYWBVRUSA-N 1 0 258.365 2.036 20 70 CEIDRO CC1CCC(N(C[C@H]2CCCO2)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000161225687 281739233 /nfs/dbraw/zinc/73/92/33/281739233.db2.gz KLJNFSQOVPVRKF-BHDPWAOGSA-N 1 0 294.439 2.182 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000161257063 282072914 /nfs/dbraw/zinc/07/29/14/282072914.db2.gz VQXYZRSVEAKDTA-RISCZKNCSA-N 1 0 270.417 2.071 20 70 CEIDRO COC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000160148574 293149512 /nfs/dbraw/zinc/14/95/12/293149512.db2.gz YTNSJIDYUZQFKR-INIZCTEOSA-N 1 0 280.387 2.272 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000159397611 297428614 /nfs/dbraw/zinc/42/86/14/297428614.db2.gz UUZXSBUDMCJKNS-LBPRGKRZSA-N 1 0 287.425 2.030 20 70 CEIDRO CC(C)=CCC[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160380706 297435901 /nfs/dbraw/zinc/43/59/01/297435901.db2.gz SAWSXSWFCNXOGE-HNNXBMFYSA-N 1 0 295.471 2.264 20 70 CEIDRO CC[NH+](CC)CCNC(=O)NCCCC(C)(C)C ZINC000160845082 312642545 /nfs/dbraw/zinc/64/25/45/312642545.db2.gz BTTOSTGDQMTYDX-UHFFFAOYSA-N 1 0 257.422 2.454 20 70 CEIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000160913645 312643149 /nfs/dbraw/zinc/64/31/49/312643149.db2.gz FOWPDYBNXHWGLO-UONOGXRCSA-N 1 0 279.428 2.349 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000161086545 519914334 /nfs/dbraw/zinc/91/43/34/519914334.db2.gz GURHAIUEHIKBJQ-JKSUJKDBSA-N 1 0 287.407 2.033 20 70 CEIDRO COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160353941 523358175 /nfs/dbraw/zinc/35/81/75/523358175.db2.gz MYIDAPPMJQXSRS-RRFJBIMHSA-N 1 0 284.444 2.332 20 70 CEIDRO CN(C(=O)/C=C/C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161507163 523772406 /nfs/dbraw/zinc/77/24/06/523772406.db2.gz GIXRXRHYQORRAB-LNXKEUTOSA-N 1 0 250.386 2.330 20 70 CEIDRO Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1F ZINC000160524424 524188466 /nfs/dbraw/zinc/18/84/66/524188466.db2.gz SEOIRASHWRUWER-TXEJJXNPSA-N 1 0 262.328 2.101 20 70 CEIDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000161501228 524205896 /nfs/dbraw/zinc/20/58/96/524205896.db2.gz RHAVNNKRXFMZRW-LLVKDONJSA-N 1 0 262.328 2.101 20 70 CEIDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000161472939 524213501 /nfs/dbraw/zinc/21/35/01/524213501.db2.gz XMXHHYAETNXXGH-QWHCGFSZSA-N 1 0 276.355 2.491 20 70 CEIDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000161346736 525405238 /nfs/dbraw/zinc/40/52/38/525405238.db2.gz MNBVSAGGYGHNHH-LLVKDONJSA-N 1 0 274.364 2.401 20 70 CEIDRO O=C(c1ccc(Cl)cc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160531455 526679789 /nfs/dbraw/zinc/67/97/89/526679789.db2.gz BEVPSHYXIVNPAJ-PHIMTYICSA-N 1 0 282.746 2.446 20 70 CEIDRO CC(C)N(CC[NH+](C)C)C(=O)NCC1(C)CCC1 ZINC000159487917 528893168 /nfs/dbraw/zinc/89/31/68/528893168.db2.gz LAUUCJJCFJOPJM-UHFFFAOYSA-N 1 0 255.406 2.158 20 70 CEIDRO CC[C@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160494310 529320069 /nfs/dbraw/zinc/32/00/69/529320069.db2.gz GYAAPKJGPKPKEP-ZIAGYGMSSA-N 1 0 252.402 2.413 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3ccc(C)cc31)CC2 ZINC000160494395 282118765 /nfs/dbraw/zinc/11/87/65/282118765.db2.gz LTQYMOSRCWSINJ-GOEBONIOSA-N 1 0 282.391 2.487 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000160304896 282127998 /nfs/dbraw/zinc/12/79/98/282127998.db2.gz KGWZIARZSHVIFB-HIFRSBDPSA-N 1 0 286.354 2.318 20 70 CEIDRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCC(C)(C)C)CC1 ZINC000160113263 344456655 /nfs/dbraw/zinc/45/66/55/344456655.db2.gz IWJHCAGWPRIAHV-OAHLLOKOSA-N 1 0 297.487 2.203 20 70 CEIDRO O=C(NCCC[NH2+]C1CC1)C1C2CC3CC(C2)CC1C3 ZINC000160194605 344457689 /nfs/dbraw/zinc/45/76/89/344457689.db2.gz OSZUHZODKXDXOF-UHFFFAOYSA-N 1 0 276.424 2.317 20 70 CEIDRO COc1cc(NC(=O)[C@@H]2CCCCC[NH2+]2)ccc1F ZINC000160349632 344458466 /nfs/dbraw/zinc/45/84/66/344458466.db2.gz LTYWIQFHBVAUSP-LBPRGKRZSA-N 1 0 266.316 2.305 20 70 CEIDRO CCS[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000161473081 344464415 /nfs/dbraw/zinc/46/44/15/344464415.db2.gz ITJUYNHXZGFEJI-SRVKXCTJSA-N 1 0 258.431 2.150 20 70 CEIDRO O=C(c1cc2ccccc2s1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000216852815 344535107 /nfs/dbraw/zinc/53/51/07/344535107.db2.gz LZWRMHRVBAFCLT-NEPJUHHUSA-N 1 0 272.373 2.335 20 70 CEIDRO CCn1ccnc1C[NH2+]CCc1cccc(OC)c1 ZINC000218209903 344536292 /nfs/dbraw/zinc/53/62/92/344536292.db2.gz RNTDFMPOTQOUAD-UHFFFAOYSA-N 1 0 259.353 2.244 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCO[C@@H](C)CC(C)C ZINC000161358668 530002005 /nfs/dbraw/zinc/00/20/05/530002005.db2.gz MVPGOLLZMGRWRT-UONOGXRCSA-N 1 0 270.417 2.038 20 70 CEIDRO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000159456027 188426685 /nfs/dbraw/zinc/42/66/85/188426685.db2.gz JIYMQQVXIOCTMX-DLBZAZTESA-N 1 0 280.371 2.375 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000160188372 188459269 /nfs/dbraw/zinc/45/92/69/188459269.db2.gz JFWXUKRBOOJYQM-CQSZACIVSA-N 1 0 299.374 2.224 20 70 CEIDRO CC(=O)c1cnc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000161085877 188506630 /nfs/dbraw/zinc/50/66/30/188506630.db2.gz IJYWEWPHTFBNCL-GARJFASQSA-N 1 0 293.392 2.205 20 70 CEIDRO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161138258 188510298 /nfs/dbraw/zinc/51/02/98/188510298.db2.gz LGNJTVIARYCQBU-YPMHNXCESA-N 1 0 296.798 2.366 20 70 CEIDRO C[NH2+]CCNCc1ccc(C)cc1Br ZINC000161237893 188516900 /nfs/dbraw/zinc/51/69/00/188516900.db2.gz OYYZFUVLUCTTNP-UHFFFAOYSA-N 1 0 257.175 2.067 20 70 CEIDRO CCCn1nccc1C[NH2+]CCc1ccc(O)cc1 ZINC000160114319 540111557 /nfs/dbraw/zinc/11/15/57/540111557.db2.gz YJSJICAEPIUDEV-UHFFFAOYSA-N 1 0 259.353 2.331 20 70 CEIDRO CCCn1nccc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000160112410 540111881 /nfs/dbraw/zinc/11/18/81/540111881.db2.gz UUGHMASZBGGMIE-CQSZACIVSA-N 1 0 264.417 2.113 20 70 CEIDRO CCCn1nccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000160143679 540112127 /nfs/dbraw/zinc/11/21/27/540112127.db2.gz AMYTXRFQNBUHNF-HNNXBMFYSA-N 1 0 259.353 2.116 20 70 CEIDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160210992 540113291 /nfs/dbraw/zinc/11/32/91/540113291.db2.gz ZHVKIDZGVVBFTO-HNNXBMFYSA-N 1 0 281.396 2.058 20 70 CEIDRO COc1ccc(CCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160887032 540126224 /nfs/dbraw/zinc/12/62/24/540126224.db2.gz DTYUHTBSOLLZFW-CABCVRRESA-N 1 0 290.407 2.404 20 70 CEIDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(F)cc1F ZINC000161042078 540132045 /nfs/dbraw/zinc/13/20/45/540132045.db2.gz DGUCUOKWELYSPO-ZJUUUORDSA-N 1 0 268.307 2.273 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(C)c(N)c2)CC1 ZINC000161083335 540132326 /nfs/dbraw/zinc/13/23/26/540132326.db2.gz ULCRSLQACVCLIR-UHFFFAOYSA-N 1 0 275.396 2.039 20 70 CEIDRO COc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000161446681 540138270 /nfs/dbraw/zinc/13/82/70/540138270.db2.gz NQKTUUXRHHWADF-VXGBXAGGSA-N 1 0 292.379 2.012 20 70 CEIDRO CCC(CC)n1nccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000160787520 540664758 /nfs/dbraw/zinc/66/47/58/540664758.db2.gz NAHVHMJNBCQGGE-UHFFFAOYSA-N 1 0 280.416 2.314 20 70 CEIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccnn1C ZINC000159378740 366907068 /nfs/dbraw/zinc/90/70/68/366907068.db2.gz WGBFEPKZIVINJO-UHFFFAOYSA-N 1 0 286.423 2.420 20 70 CEIDRO C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1O ZINC000159424944 366912244 /nfs/dbraw/zinc/91/22/44/366912244.db2.gz CTXOXEIGBZHEIC-BBRMVZONSA-N 1 0 271.364 2.075 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000159434842 366913031 /nfs/dbraw/zinc/91/30/31/366913031.db2.gz INYULKFTABGRJF-SFHVURJKSA-N 1 0 290.451 2.484 20 70 CEIDRO O=C1CCCN1CCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000159465457 366915719 /nfs/dbraw/zinc/91/57/19/366915719.db2.gz KESKYZCLJSBLPV-HNNXBMFYSA-N 1 0 276.355 2.415 20 70 CEIDRO C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1cccnc1 ZINC000159474282 366916241 /nfs/dbraw/zinc/91/62/41/366916241.db2.gz TWUUXPICRCEKFB-ZDUSSCGKSA-N 1 0 275.396 2.351 20 70 CEIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000159492926 366919774 /nfs/dbraw/zinc/91/97/74/366919774.db2.gz KUZNQOXACYXHMA-OAHLLOKOSA-N 1 0 258.365 2.276 20 70 CEIDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1 ZINC000159759062 366946688 /nfs/dbraw/zinc/94/66/88/366946688.db2.gz PFNFQMSHLGTNBN-AWEZNQCLSA-N 1 0 295.390 2.499 20 70 CEIDRO CC[NH+]1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159573868 366928437 /nfs/dbraw/zinc/92/84/37/366928437.db2.gz BASYMWIFZWKZMP-UHFFFAOYSA-N 1 0 279.428 2.350 20 70 CEIDRO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159610924 366932035 /nfs/dbraw/zinc/93/20/35/366932035.db2.gz DECWCLAZOKGACB-ZFWWWQNUSA-N 1 0 276.380 2.026 20 70 CEIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000159685708 366938528 /nfs/dbraw/zinc/93/85/28/366938528.db2.gz FPEFBYAVIIVFNA-UTUOFQBUSA-N 1 0 264.394 2.205 20 70 CEIDRO COc1cc2c(cc1OC)C[N@H+](CC1=CCCOC1)CC2 ZINC000159781168 366947767 /nfs/dbraw/zinc/94/77/67/366947767.db2.gz DLOMVWUHCNAZFB-UHFFFAOYSA-N 1 0 289.375 2.409 20 70 CEIDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)CC(C)C ZINC000159836164 366953502 /nfs/dbraw/zinc/95/35/02/366953502.db2.gz QCYDTIJUXWAPSU-ZDUSSCGKSA-N 1 0 257.422 2.452 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159995662 366963383 /nfs/dbraw/zinc/96/33/83/366963383.db2.gz KNMZNINROUNKGW-GFCCVEGCSA-N 1 0 297.196 2.322 20 70 CEIDRO C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000160006529 366965056 /nfs/dbraw/zinc/96/50/56/366965056.db2.gz NVCJUHARSFEKLK-AAEUAGOBSA-N 1 0 277.412 2.101 20 70 CEIDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000160112564 366975547 /nfs/dbraw/zinc/97/55/47/366975547.db2.gz NGBSMTBMICOVEA-ZNMIVQPWSA-N 1 0 290.407 2.396 20 70 CEIDRO CC(C)COC(=O)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000160135045 366976408 /nfs/dbraw/zinc/97/64/08/366976408.db2.gz XSBAEDPKUHNWNA-UHFFFAOYSA-N 1 0 298.427 2.213 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(Br)cs1 ZINC000160141106 366976971 /nfs/dbraw/zinc/97/69/71/366976971.db2.gz XELKQUYUEAMOJG-QMMMGPOBSA-N 1 0 289.198 2.074 20 70 CEIDRO Cc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000160211877 366983071 /nfs/dbraw/zinc/98/30/71/366983071.db2.gz FBLUJEFBGAOGMJ-OAHLLOKOSA-N 1 0 292.448 2.091 20 70 CEIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC=CCC1 ZINC000160285008 366990850 /nfs/dbraw/zinc/99/08/50/366990850.db2.gz BGBFUNZTMGETCJ-OAHLLOKOSA-N 1 0 294.439 2.160 20 70 CEIDRO Cc1cccc2nc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cn21 ZINC000160298213 366992152 /nfs/dbraw/zinc/99/21/52/366992152.db2.gz XPLVDYJXGDVDNW-QWHCGFSZSA-N 1 0 259.353 2.157 20 70 CEIDRO Cc1cccc2nc(CN[C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160314102 366993795 /nfs/dbraw/zinc/99/37/95/366993795.db2.gz MEYHHPOKSUWWBG-BJJXKVORSA-N 1 0 286.423 2.461 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2csc3c2CCCC3)C1 ZINC000160601573 367020550 /nfs/dbraw/zinc/02/05/50/367020550.db2.gz XNXRIDUMQLNWAF-JTQLQIEISA-N 1 0 264.394 2.061 20 70 CEIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000160603636 367020884 /nfs/dbraw/zinc/02/08/84/367020884.db2.gz OFGGJDSDNOOMAP-CQSZACIVSA-N 1 0 286.379 2.315 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccsc1 ZINC000160640003 367023673 /nfs/dbraw/zinc/02/36/73/367023673.db2.gz LTWFJJRYHGORQY-GYSYKLTISA-N 1 0 280.393 2.219 20 70 CEIDRO Cc1cc(C)n2c(C[NH2+][C@H]3CCOC(C)(C)C3)cnc2n1 ZINC000160432155 367004791 /nfs/dbraw/zinc/00/47/91/367004791.db2.gz ANPOLLHXBPBSQA-ZDUSSCGKSA-N 1 0 288.395 2.393 20 70 CEIDRO O=C(NCCc1cc2ccccc2o1)[C@@H]1CCCC[NH2+]1 ZINC000160487826 367011268 /nfs/dbraw/zinc/01/12/68/367011268.db2.gz UODFPUDKLLFRLX-AWEZNQCLSA-N 1 0 272.348 2.234 20 70 CEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(F)(F)F ZINC000160512945 367012541 /nfs/dbraw/zinc/01/25/41/367012541.db2.gz VPGYUJCLLZWAQK-UWVGGRQHSA-N 1 0 268.323 2.421 20 70 CEIDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000160893473 367041645 /nfs/dbraw/zinc/04/16/45/367041645.db2.gz APWSXYPUAGHQAA-VNHYZAJKSA-N 1 0 260.381 2.294 20 70 CEIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)cn1 ZINC000161339795 367079841 /nfs/dbraw/zinc/07/98/41/367079841.db2.gz ZRLOPPCMTZHXKS-MLGOLLRUSA-N 1 0 289.379 2.296 20 70 CEIDRO CO[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000161012813 367050280 /nfs/dbraw/zinc/05/02/80/367050280.db2.gz VGHTXPZBXWONQD-NWDGAFQWSA-N 1 0 286.778 2.417 20 70 CEIDRO Cc1cccc(C(C)(C)NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000161162567 367064117 /nfs/dbraw/zinc/06/41/17/367064117.db2.gz KNBPYSFGNDYKMT-CYBMUJFWSA-N 1 0 260.381 2.346 20 70 CEIDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1ccc(F)cc1 ZINC000160718788 367029766 /nfs/dbraw/zinc/02/97/66/367029766.db2.gz XPWUFNTWCDIHRB-CQSZACIVSA-N 1 0 252.333 2.393 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CSc2ccccc2)C1 ZINC000160719839 533036599 /nfs/dbraw/zinc/03/65/99/533036599.db2.gz QOPWFEYRKDXPQQ-STQMWFEESA-N 1 0 278.421 2.235 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000159854534 285214330 /nfs/dbraw/zinc/21/43/30/285214330.db2.gz PVEJRAZOUUGVGK-GFCCVEGCSA-N 1 0 255.406 2.158 20 70 CEIDRO COc1ccc([C@H]2CC[N@H+](Cc3nccn3C)C2)cc1 ZINC000160895675 533206702 /nfs/dbraw/zinc/20/67/02/533206702.db2.gz IPWFOBLCRQMIFZ-AWEZNQCLSA-N 1 0 271.364 2.418 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C)C1 ZINC000217409858 394454600 /nfs/dbraw/zinc/45/46/00/394454600.db2.gz ASYCXCNIPICXSJ-CHWSQXEVSA-N 1 0 255.406 2.158 20 70 CEIDRO CC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000160778846 395062161 /nfs/dbraw/zinc/06/21/61/395062161.db2.gz FGWFUHCFNWKHQL-AAEUAGOBSA-N 1 0 258.431 2.106 20 70 CEIDRO O[C@@H](CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1F ZINC000217369352 153296626 /nfs/dbraw/zinc/29/66/26/153296626.db2.gz AWRAILGGKBKMRF-CJNGLKHVSA-N 1 0 278.371 2.029 20 70 CEIDRO CCc1ncnc(NCCC[NH+]2CCCC2)c1F ZINC000217961643 153298867 /nfs/dbraw/zinc/29/88/67/153298867.db2.gz VQKXEEKQOXOHND-UHFFFAOYSA-N 1 0 252.337 2.076 20 70 CEIDRO CCCCCOCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159743366 162312431 /nfs/dbraw/zinc/31/24/31/162312431.db2.gz BTHAHMPNJNGNAA-UHFFFAOYSA-N 1 0 282.428 2.184 20 70 CEIDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1-n1cccn1 ZINC000159787147 162312884 /nfs/dbraw/zinc/31/28/84/162312884.db2.gz PPNYIJAZMGTNEJ-BBRMVZONSA-N 1 0 298.390 2.144 20 70 CEIDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCCOCC)C1 ZINC000159886836 162315481 /nfs/dbraw/zinc/31/54/81/162315481.db2.gz XPADQNCQHINBSH-AWEZNQCLSA-N 1 0 270.417 2.041 20 70 CEIDRO CN(C(=O)c1coc2ccccc12)[C@@H](C[NH3+])C1CC1 ZINC000159851286 162315605 /nfs/dbraw/zinc/31/56/05/162315605.db2.gz KIEXWXMLNVJFCL-ZDUSSCGKSA-N 1 0 258.321 2.242 20 70 CEIDRO CCOCCC1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC1 ZINC000159906728 162317893 /nfs/dbraw/zinc/31/78/93/162317893.db2.gz BIRRNAOQLXFLMC-AWEZNQCLSA-N 1 0 284.444 2.286 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000160308247 165033228 /nfs/dbraw/zinc/03/32/28/165033228.db2.gz BGUZKFKUTMAIEC-SECBINFHSA-N 1 0 279.390 2.045 20 70 CEIDRO O=C(Cc1cccc(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160304225 165033408 /nfs/dbraw/zinc/03/34/08/165033408.db2.gz TVKAZZIADBERHA-OKILXGFUSA-N 1 0 278.783 2.235 20 70 CEIDRO O=C(/C=C\c1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000217464393 260857986 /nfs/dbraw/zinc/85/79/86/260857986.db2.gz RWUFVGOELGAAIX-DMTLFAOVSA-N 1 0 278.783 2.469 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160133721 261205584 /nfs/dbraw/zinc/20/55/84/261205584.db2.gz APCZUJATJHXKST-TZMCWYRMSA-N 1 0 278.371 2.215 20 70 CEIDRO CC[C@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)[NH+](C)C ZINC000160229839 270238384 /nfs/dbraw/zinc/23/83/84/270238384.db2.gz DUDSWEYFAVIRCM-BFHYXJOUSA-N 1 0 252.402 2.412 20 70 CEIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000161214246 279275234 /nfs/dbraw/zinc/27/52/34/279275234.db2.gz UGPLFMJEEZIIBO-DZGCQCFKSA-N 1 0 254.418 2.266 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000160107905 297432963 /nfs/dbraw/zinc/43/29/63/297432963.db2.gz DQCKIABSWLKNRY-JTQLQIEISA-N 1 0 299.802 2.170 20 70 CEIDRO CC[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160611686 297438596 /nfs/dbraw/zinc/43/85/96/297438596.db2.gz JYZNPISGMXTSNL-AWEZNQCLSA-N 1 0 262.397 2.407 20 70 CEIDRO CS[C@@H](C)CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000161380865 297444446 /nfs/dbraw/zinc/44/44/46/297444446.db2.gz GGKXNGCFUNEEMQ-STQMWFEESA-N 1 0 272.458 2.365 20 70 CEIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccsc1 ZINC000159684951 298107618 /nfs/dbraw/zinc/10/76/18/298107618.db2.gz MHOCFVMXPPYVPH-WCFLWFBJSA-N 1 0 264.394 2.205 20 70 CEIDRO C[NH+]1CCC(CCNC(=O)NCC2(C3CC3)CC2)CC1 ZINC000159773798 312633935 /nfs/dbraw/zinc/63/39/35/312633935.db2.gz WZZIQLPKPIIEPW-UHFFFAOYSA-N 1 0 279.428 2.208 20 70 CEIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000160423608 519750850 /nfs/dbraw/zinc/75/08/50/519750850.db2.gz XEVWHHTYOIAZAK-LBPRGKRZSA-N 1 0 275.396 2.217 20 70 CEIDRO CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000161285518 520160507 /nfs/dbraw/zinc/16/05/07/520160507.db2.gz LSZICDPDAWWXPS-BZUAXINKSA-N 1 0 263.381 2.310 20 70 CEIDRO CCOCCC1(CNC(=O)C[NH+]2CCC(C)CC2)CCC1 ZINC000161179744 521683205 /nfs/dbraw/zinc/68/32/05/521683205.db2.gz CWJZHISQFRCXLY-UHFFFAOYSA-N 1 0 296.455 2.431 20 70 CEIDRO CN(Cc1cccn1C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160893944 521891809 /nfs/dbraw/zinc/89/18/09/521891809.db2.gz QANRWNRKZYAQDC-UHFFFAOYSA-N 1 0 285.391 2.359 20 70 CEIDRO CCn1cc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161083858 523458776 /nfs/dbraw/zinc/45/87/76/523458776.db2.gz BQZGKWCVEAWDOV-YUELXQCFSA-N 1 0 264.417 2.426 20 70 CEIDRO CCn1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161084205 523477449 /nfs/dbraw/zinc/47/74/49/523477449.db2.gz BQZGKWCVEAWDOV-QEJZJMRPSA-N 1 0 264.417 2.426 20 70 CEIDRO C[C@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000160680020 524176179 /nfs/dbraw/zinc/17/61/79/524176179.db2.gz IQPQJAKWZAWGDF-GJZGRUSLSA-N 1 0 282.428 2.041 20 70 CEIDRO Cc1cc(F)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160522197 524934204 /nfs/dbraw/zinc/93/42/04/524934204.db2.gz IWDQPYSUOUEFDM-OKILXGFUSA-N 1 0 262.328 2.101 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160521253 525162415 /nfs/dbraw/zinc/16/24/15/525162415.db2.gz KBHNVRJZZMECLD-BXUZGUMPSA-N 1 0 286.379 2.261 20 70 CEIDRO c1cn(CC[NH+]2CCC(Oc3ccccc3)CC2)cn1 ZINC000161472510 526533545 /nfs/dbraw/zinc/53/35/45/526533545.db2.gz XLOWAFADNHHNDH-UHFFFAOYSA-N 1 0 271.364 2.427 20 70 CEIDRO [NH3+]CC1(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)CCCC1 ZINC000161428468 527162559 /nfs/dbraw/zinc/16/25/59/527162559.db2.gz ULMPYJCWEIIHGP-QWHCGFSZSA-N 1 0 282.453 2.392 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@H]1CCCC[C@H]1C ZINC000160558095 528925612 /nfs/dbraw/zinc/92/56/12/528925612.db2.gz CWNLOJLDDKEDFY-OLZOCXBDSA-N 1 0 270.417 2.215 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000160422175 574511524 /nfs/dbraw/zinc/51/15/24/574511524.db2.gz MVGFLKQDKKDCAJ-OLZOCXBDSA-N 1 0 270.417 2.215 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3c1cccc3C)CC2 ZINC000160338476 282126688 /nfs/dbraw/zinc/12/66/88/282126688.db2.gz CMVJYJOZJWXYAT-CZUORRHYSA-N 1 0 282.391 2.487 20 70 CEIDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000159496983 344455112 /nfs/dbraw/zinc/45/51/12/344455112.db2.gz HUOJCMYGUMMOOU-BXUZGUMPSA-N 1 0 278.421 2.452 20 70 CEIDRO CC(C)[C@@H](C(=O)N(C)Cc1ccsc1)[NH+](C)C ZINC000159605019 344455416 /nfs/dbraw/zinc/45/54/16/344455416.db2.gz DJEUBOVTYXMBBX-LBPRGKRZSA-N 1 0 254.399 2.293 20 70 CEIDRO Cc1ccc(C(=O)CC[NH2+]C(C)(C)C(=O)N(C)C)cc1 ZINC000160558225 344459629 /nfs/dbraw/zinc/45/96/29/344459629.db2.gz NFSHCZWZPKYMII-UHFFFAOYSA-N 1 0 276.380 2.024 20 70 CEIDRO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000160803941 344461889 /nfs/dbraw/zinc/46/18/89/344461889.db2.gz KAALNSSAXWWEQY-GFCCVEGCSA-N 1 0 265.401 2.197 20 70 CEIDRO CCn1nc(C)cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000161295300 344463473 /nfs/dbraw/zinc/46/34/73/344463473.db2.gz FAPLITPBHZLVNK-UHFFFAOYSA-N 1 0 292.427 2.206 20 70 CEIDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCF)CC1 ZINC000218395380 344536272 /nfs/dbraw/zinc/53/62/72/344536272.db2.gz CZDGVDKHIKZIRK-NSHDSACASA-N 1 0 260.353 2.335 20 70 CEIDRO Cc1cccc([C@@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000160737154 232252670 /nfs/dbraw/zinc/25/26/70/232252670.db2.gz SMUWPZIRDVJLKG-ZFWWWQNUSA-N 1 0 260.381 2.357 20 70 CEIDRO C[C@H](SCc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000159956956 188448677 /nfs/dbraw/zinc/44/86/77/188448677.db2.gz MCHNOEDFAJGMNW-NSHDSACASA-N 1 0 266.410 2.162 20 70 CEIDRO CC[NH+](CC)CCNC(=O)c1ccc(C(C)C)nc1 ZINC000160965331 188499993 /nfs/dbraw/zinc/49/99/93/188499993.db2.gz KKLCJEQPZVHQSE-UHFFFAOYSA-N 1 0 263.385 2.277 20 70 CEIDRO Cc1ccc(C[C@H](C)N(C)C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161157209 188511761 /nfs/dbraw/zinc/51/17/61/188511761.db2.gz MEHHWZKMOWDMOR-GOEBONIOSA-N 1 0 274.408 2.384 20 70 CEIDRO O=C(NC[C@H]1CCCC[NH2+]1)C1C2CC3CC(C2)CC1C3 ZINC000160117257 540112161 /nfs/dbraw/zinc/11/21/61/540112161.db2.gz AOKYEUNYDIIDPA-BAPHQMLMSA-N 1 0 276.424 2.317 20 70 CEIDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCOC(C)C ZINC000160202365 540113232 /nfs/dbraw/zinc/11/32/32/540113232.db2.gz PYELINCYGNHQPO-OAHLLOKOSA-N 1 0 281.396 2.058 20 70 CEIDRO CCCn1nccc1CNCC1([NH+](C)C)CCCC1 ZINC000160196123 540113652 /nfs/dbraw/zinc/11/36/52/540113652.db2.gz NFUAJJBTCLCEKH-UHFFFAOYSA-N 1 0 264.417 2.257 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000160380721 540115816 /nfs/dbraw/zinc/11/58/16/540115816.db2.gz QLTVDBCJIVLZHR-CYBMUJFWSA-N 1 0 288.391 2.283 20 70 CEIDRO Cc1ccc(OCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000160865465 540125770 /nfs/dbraw/zinc/12/57/70/540125770.db2.gz SMDDZDZURAQZJG-HUUCEWRRSA-N 1 0 290.407 2.458 20 70 CEIDRO CC(C)Oc1cccc(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161298209 540136289 /nfs/dbraw/zinc/13/62/89/540136289.db2.gz SOQPPJUCMQJNHL-GJZGRUSLSA-N 1 0 290.407 2.402 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000161385157 540137543 /nfs/dbraw/zinc/13/75/43/540137543.db2.gz DTEIAORDYICWSF-WDEREUQCSA-N 1 0 284.306 2.288 20 70 CEIDRO C[N@@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000217991138 538888625 /nfs/dbraw/zinc/88/86/25/538888625.db2.gz BEZFTUPVUUPUKK-QMMMGPOBSA-N 1 0 260.263 2.002 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(C)(C)C ZINC000159788671 540431296 /nfs/dbraw/zinc/43/12/96/540431296.db2.gz VINIYQDWVYMNHR-UHFFFAOYSA-N 1 0 283.441 2.311 20 70 CEIDRO CCn1nccc1C[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000159992582 540441479 /nfs/dbraw/zinc/44/14/79/540441479.db2.gz SLMXYDREGKRPCV-UHFFFAOYSA-N 1 0 272.352 2.151 20 70 CEIDRO Cn1nc(C[NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000160151049 540445695 /nfs/dbraw/zinc/44/56/95/540445695.db2.gz FWKYQXMSVFQYSM-UHFFFAOYSA-N 1 0 273.380 2.216 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000159694322 366940194 /nfs/dbraw/zinc/94/01/94/366940194.db2.gz NPCXBYWMLRWVHZ-AAEUAGOBSA-N 1 0 271.364 2.254 20 70 CEIDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159364627 366906403 /nfs/dbraw/zinc/90/64/03/366906403.db2.gz IHPHRWNXTCLEPP-KOLCDFICSA-N 1 0 284.787 2.288 20 70 CEIDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431667 366911197 /nfs/dbraw/zinc/91/11/97/366911197.db2.gz WUVLCXCOCYDSLF-IUODEOHRSA-N 1 0 299.436 2.292 20 70 CEIDRO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000159481543 366918296 /nfs/dbraw/zinc/91/82/96/366918296.db2.gz KLKJNFOCCSDSGL-GHMZBOCLSA-N 1 0 288.326 2.077 20 70 CEIDRO c1c(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494837 366919208 /nfs/dbraw/zinc/91/92/08/366919208.db2.gz KFSZBKBWTXXUIN-KBMXLJTQSA-N 1 0 283.375 2.382 20 70 CEIDRO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159538351 366923409 /nfs/dbraw/zinc/92/34/09/366923409.db2.gz WLZIUGLVFFSQNT-CQSZACIVSA-N 1 0 294.420 2.369 20 70 CEIDRO CCc1oc(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1C ZINC000159571829 366926443 /nfs/dbraw/zinc/92/64/43/366926443.db2.gz LDERLXKQEIHTQJ-GFCCVEGCSA-N 1 0 264.369 2.365 20 70 CEIDRO CN(C)[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159574317 366927889 /nfs/dbraw/zinc/92/78/89/366927889.db2.gz BVNDGRWZTREGDO-OAHLLOKOSA-N 1 0 289.423 2.067 20 70 CEIDRO CCn1c(=O)c2cc(F)ccc2nc1SCC[NH+](C)C ZINC000159577376 366928331 /nfs/dbraw/zinc/92/83/31/366928331.db2.gz XJTSQDAXAWETDC-UHFFFAOYSA-N 1 0 295.383 2.209 20 70 CEIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000159578198 366928846 /nfs/dbraw/zinc/92/88/46/366928846.db2.gz VOKVTEZUGDNPLK-ZDUSSCGKSA-N 1 0 259.353 2.254 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159603737 366931235 /nfs/dbraw/zinc/93/12/35/366931235.db2.gz KXWVXDCYRXALAQ-ZDUSSCGKSA-N 1 0 292.404 2.225 20 70 CEIDRO CCN(C)C(=O)CC[N@H+](CCc1nccs1)C(C)C ZINC000159794516 366948957 /nfs/dbraw/zinc/94/89/57/366948957.db2.gz CEMNUOMHBFAKJE-UHFFFAOYSA-N 1 0 283.441 2.264 20 70 CEIDRO CC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159810207 366949525 /nfs/dbraw/zinc/94/95/25/366949525.db2.gz DSPNUWXUFAEGIJ-WCQYABFASA-N 1 0 266.772 2.393 20 70 CEIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159920332 366959345 /nfs/dbraw/zinc/95/93/45/366959345.db2.gz JKQMWYCLLZOHNA-CHWSQXEVSA-N 1 0 267.417 2.349 20 70 CEIDRO CCOc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1OC ZINC000160010296 366965772 /nfs/dbraw/zinc/96/57/72/366965772.db2.gz NEUFCZWNNAGVGW-UHFFFAOYSA-N 1 0 289.379 2.426 20 70 CEIDRO [NH3+]CCCNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000160007178 366966141 /nfs/dbraw/zinc/96/61/41/366966141.db2.gz RXCGDCXFGICSAB-UHFFFAOYSA-N 1 0 287.363 2.129 20 70 CEIDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1C ZINC000160005532 366966172 /nfs/dbraw/zinc/96/61/72/366966172.db2.gz NVQGRHLHWNFEGS-UHFFFAOYSA-N 1 0 298.814 2.347 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160221026 366983823 /nfs/dbraw/zinc/98/38/23/366983823.db2.gz VEVUJDBWIKSTCE-VWYCJHECSA-N 1 0 280.318 2.018 20 70 CEIDRO CCCCOCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000160304015 366991901 /nfs/dbraw/zinc/99/19/01/366991901.db2.gz TZLSOLIAVRHRCJ-MRXNPFEDSA-N 1 0 278.396 2.184 20 70 CEIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](C)CC2)n1 ZINC000160313716 366993745 /nfs/dbraw/zinc/99/37/45/366993745.db2.gz CQBLPUYWYQEZFN-UHFFFAOYSA-N 1 0 293.415 2.145 20 70 CEIDRO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000160329067 366995159 /nfs/dbraw/zinc/99/51/59/366995159.db2.gz MYCOXZDQPZJLFD-ZDUSSCGKSA-N 1 0 272.348 2.445 20 70 CEIDRO CCC(CC)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000160573677 367017946 /nfs/dbraw/zinc/01/79/46/367017946.db2.gz LZISCDFQCFBVMV-CQSZACIVSA-N 1 0 269.433 2.406 20 70 CEIDRO CCC[C@H](C)[C@H](CC)[NH2+]CC(=O)NCC(F)(F)F ZINC000160585616 367019120 /nfs/dbraw/zinc/01/91/20/367019120.db2.gz CMJOTBHBRPXIGY-UWVGGRQHSA-N 1 0 268.323 2.469 20 70 CEIDRO CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)o1 ZINC000160576555 367019338 /nfs/dbraw/zinc/01/93/38/367019338.db2.gz CLQWFXOEXMIDRM-JQWIXIFHSA-N 1 0 274.368 2.408 20 70 CEIDRO NC(=O)[C@H]1CCCN1Cc1cccc(OC(F)(F)F)c1 ZINC000160361523 366998460 /nfs/dbraw/zinc/99/84/60/366998460.db2.gz UJCCYRATZNXTIL-LLVKDONJSA-N 1 0 288.269 2.035 20 70 CEIDRO CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)c1cc(F)ccc1F ZINC000160658514 367025326 /nfs/dbraw/zinc/02/53/26/367025326.db2.gz FZNIYMRNNOFZOX-NOZJJQNGSA-N 1 0 270.323 2.388 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccccc1NC(C)=O ZINC000160385212 367001029 /nfs/dbraw/zinc/00/10/29/367001029.db2.gz ZEYSOMWQHACORP-CYBMUJFWSA-N 1 0 277.412 2.465 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1ccccc1NC(C)=O ZINC000160385328 367001289 /nfs/dbraw/zinc/00/12/89/367001289.db2.gz ZEYSOMWQHACORP-ZDUSSCGKSA-N 1 0 277.412 2.465 20 70 CEIDRO CC[C@H](C)OCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160411942 367003805 /nfs/dbraw/zinc/00/38/05/367003805.db2.gz DSAZBXAEQBDCNZ-OFQRWUPVSA-N 1 0 284.444 2.428 20 70 CEIDRO CCCCOCCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000160508827 367012670 /nfs/dbraw/zinc/01/26/70/367012670.db2.gz SFAAICFRCWXKNU-UONOGXRCSA-N 1 0 270.417 2.217 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)NC1(c2cccc(F)c2)CC1 ZINC000160524457 367013416 /nfs/dbraw/zinc/01/34/16/367013416.db2.gz VYGKMMMUJXCKIA-UHFFFAOYSA-N 1 0 276.355 2.321 20 70 CEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000160521627 367014045 /nfs/dbraw/zinc/01/40/45/367014045.db2.gz SFNCYZXAYSSGPS-STQMWFEESA-N 1 0 285.432 2.225 20 70 CEIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161001892 367048695 /nfs/dbraw/zinc/04/86/95/367048695.db2.gz UYNQAEBHILGPIY-CYBMUJFWSA-N 1 0 277.368 2.090 20 70 CEIDRO CCOc1ncccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161022520 367049979 /nfs/dbraw/zinc/04/99/79/367049979.db2.gz PRFUOEARAAWZPF-UHFFFAOYSA-N 1 0 291.395 2.017 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000161045011 367050438 /nfs/dbraw/zinc/05/04/38/367050438.db2.gz HAMVMVCGKUZEIX-BPNCWPANSA-N 1 0 264.344 2.473 20 70 CEIDRO O=C([C@H]1CCCO1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000161027446 367050918 /nfs/dbraw/zinc/05/09/18/367050918.db2.gz UZNXDYCXRDAQPU-MRXNPFEDSA-N 1 0 294.439 2.280 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161069505 367053535 /nfs/dbraw/zinc/05/35/35/367053535.db2.gz UPJPWZCYITYGFL-MELADBBJSA-N 1 0 250.386 2.214 20 70 CEIDRO C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)Cc1cccs1 ZINC000161093447 367056674 /nfs/dbraw/zinc/05/66/74/367056674.db2.gz JXMJOZHOGUMMQX-CMPLNLGQSA-N 1 0 268.426 2.416 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)CC[NH2+]C(C)C)C12CCCC2 ZINC000161112527 367057673 /nfs/dbraw/zinc/05/76/73/367057673.db2.gz CTWBWXOOMNRQJQ-ZIAGYGMSSA-N 1 0 282.428 2.229 20 70 CEIDRO CCC(CC)c1cc(CNC(=O)C[C@H]2CCC[NH2+]2)on1 ZINC000161112189 367058340 /nfs/dbraw/zinc/05/83/40/367058340.db2.gz TVGLXJRKFYSCID-GFCCVEGCSA-N 1 0 279.384 2.337 20 70 CEIDRO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1nccn1C ZINC000161156834 367062778 /nfs/dbraw/zinc/06/27/78/367062778.db2.gz NMYBQDYMHAXDEX-UHFFFAOYSA-N 1 0 290.386 2.123 20 70 CEIDRO CC[C@H](C(=O)Nc1ccc(OC)cc1C)[NH+](C)C ZINC000161258630 367073236 /nfs/dbraw/zinc/07/32/36/367073236.db2.gz WNYFJHCMYNLHII-CYBMUJFWSA-N 1 0 250.342 2.282 20 70 CEIDRO CC[NH2+]CCNCc1ccc(C)c(Br)c1 ZINC000161299399 367075954 /nfs/dbraw/zinc/07/59/54/367075954.db2.gz LGMCVIBAINJVHL-UHFFFAOYSA-N 1 0 271.202 2.457 20 70 CEIDRO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cn3ccccc3n1)CC2 ZINC000160741582 367031558 /nfs/dbraw/zinc/03/15/58/367031558.db2.gz FFMQJYRIBPPOHU-PBHICJAKSA-N 1 0 285.391 2.461 20 70 CEIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000161424760 367085501 /nfs/dbraw/zinc/08/55/01/367085501.db2.gz ICPPTSTXVGGHFJ-OLZOCXBDSA-N 1 0 295.427 2.265 20 70 CEIDRO CN(C)C(=O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000218614039 370211496 /nfs/dbraw/zinc/21/14/96/370211496.db2.gz PZNMXTOCFJUABA-UHFFFAOYSA-N 1 0 282.387 2.496 20 70 CEIDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000217550186 370196658 /nfs/dbraw/zinc/19/66/58/370196658.db2.gz KWRPVOBNYWOCGE-OLZOCXBDSA-N 1 0 262.397 2.396 20 70 CEIDRO CCC[NH+]1CCC(NC(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000161268949 249319473 /nfs/dbraw/zinc/31/94/73/249319473.db2.gz WIVSJHQOHVPTDH-AWEZNQCLSA-N 1 0 297.443 2.118 20 70 CEIDRO COCCN(C)CC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000159369479 284959591 /nfs/dbraw/zinc/95/95/91/284959591.db2.gz BYHPUWDDSYONJC-INIZCTEOSA-N 1 0 292.423 2.377 20 70 CEIDRO CC[NH+](CC)CCCNC(=O)c1ccc(OC)cc1F ZINC000218435699 130769537 /nfs/dbraw/zinc/76/95/37/130769537.db2.gz UWLVNDVUYZFLPT-UHFFFAOYSA-N 1 0 282.359 2.296 20 70 CEIDRO [NH3+]CC1CCN(C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000217482670 394454375 /nfs/dbraw/zinc/45/43/75/394454375.db2.gz UIRUVWHHQDEBNQ-UTCJRWHESA-N 1 0 262.328 2.036 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000159574808 395058767 /nfs/dbraw/zinc/05/87/67/395058767.db2.gz PRDNVYRPCVGRDE-CJNGLKHVSA-N 1 0 260.381 2.365 20 70 CEIDRO CC1CCC(N(C[C@H]2CCCO2)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000161225479 395063505 /nfs/dbraw/zinc/06/35/05/395063505.db2.gz KLJNFSQOVPVRKF-GYTBAZASSA-N 1 0 294.439 2.182 20 70 CEIDRO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000161062255 395063682 /nfs/dbraw/zinc/06/36/82/395063682.db2.gz AXHDOEOKSUXUIM-SECBINFHSA-N 1 0 296.754 2.065 20 70 CEIDRO COC(C[N@@H+]1CCCC[C@H]1c1cccn1C)OC ZINC000161364433 292079323 /nfs/dbraw/zinc/07/93/23/292079323.db2.gz SZLXJSSLZIPEEV-ZDUSSCGKSA-N 1 0 252.358 2.171 20 70 CEIDRO CN(Cc1ccc2ccccc2n1)[C@H](C[NH3+])C1CC1 ZINC000159706727 162313303 /nfs/dbraw/zinc/31/33/03/162313303.db2.gz COGCYEMFWXRWFI-MRXNPFEDSA-N 1 0 255.365 2.404 20 70 CEIDRO CCO[C@H](CCNC(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000159937052 162319397 /nfs/dbraw/zinc/31/93/97/162319397.db2.gz RSDLBINHQKFITA-OAHLLOKOSA-N 1 0 299.459 2.175 20 70 CEIDRO CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159887887 162319522 /nfs/dbraw/zinc/31/95/22/162319522.db2.gz CFRXKOZBNFJRBZ-BETUJISGSA-N 1 0 274.364 2.052 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC2(CCC2)C1 ZINC000160234338 162325082 /nfs/dbraw/zinc/32/50/82/162325082.db2.gz CIXOOYCHBRWTTH-ZDUSSCGKSA-N 1 0 267.417 2.302 20 70 CEIDRO COCCN(CCC[NH+]1CCCCC1)CC(F)F ZINC000160908194 292471716 /nfs/dbraw/zinc/47/17/16/292471716.db2.gz JWBTZLCIMKLSPF-UHFFFAOYSA-N 1 0 264.360 2.076 20 70 CEIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc(F)cc2)CC1 ZINC000160295324 165033534 /nfs/dbraw/zinc/03/35/34/165033534.db2.gz SLQWXXFIIREDGM-GASCZTMLSA-N 1 0 288.366 2.210 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+]CC1(O)CCC1)CC2 ZINC000159557405 274126940 /nfs/dbraw/zinc/12/69/40/274126940.db2.gz YUUKQYNSBDLXTQ-CQSZACIVSA-N 1 0 261.365 2.057 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 ZINC000159874850 276366742 /nfs/dbraw/zinc/36/67/42/276366742.db2.gz NJKSMEAKJBMLPH-KGLIPLIRSA-N 1 0 299.484 2.398 20 70 CEIDRO COC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC000160741489 277569226 /nfs/dbraw/zinc/56/92/26/277569226.db2.gz WQTNHSVLPUBEJN-SWLSCSKDSA-N 1 0 274.364 2.127 20 70 CEIDRO CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160253509 278958280 /nfs/dbraw/zinc/95/82/80/278958280.db2.gz VVUUBGHLJOVIIO-MCIONIFRSA-N 1 0 252.402 2.412 20 70 CEIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000218219148 293646363 /nfs/dbraw/zinc/64/63/63/293646363.db2.gz ZLSBNXPTTMCZMW-UMVBOHGHSA-N 1 0 263.385 2.345 20 70 CEIDRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000159381351 297428628 /nfs/dbraw/zinc/42/86/28/297428628.db2.gz BNFDCCKEJSTASX-CHWSQXEVSA-N 1 0 285.457 2.183 20 70 CEIDRO CCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1OC ZINC000161154987 521000020 /nfs/dbraw/zinc/00/00/20/521000020.db2.gz ACCGNYDUPBVQRE-LLVKDONJSA-N 1 0 267.369 2.343 20 70 CEIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)nc1 ZINC000160596101 522014421 /nfs/dbraw/zinc/01/44/21/522014421.db2.gz MNWBSAROZZOMGI-CYBMUJFWSA-N 1 0 262.353 2.346 20 70 CEIDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)[C@H]1CCOC1 ZINC000161199858 522851825 /nfs/dbraw/zinc/85/18/25/522851825.db2.gz CFLXECIARSFLKR-SOUVJXGZSA-N 1 0 254.418 2.266 20 70 CEIDRO CCc1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160567180 523907093 /nfs/dbraw/zinc/90/70/93/523907093.db2.gz IMYYUWDDOSVACH-UHFFFAOYSA-N 1 0 274.408 2.394 20 70 CEIDRO C[C@@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000160679901 524346729 /nfs/dbraw/zinc/34/67/29/524346729.db2.gz IQPQJAKWZAWGDF-CABCVRRESA-N 1 0 282.428 2.041 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000160380281 524810999 /nfs/dbraw/zinc/81/09/99/524810999.db2.gz VMGDOCNVIFJQOV-UONOGXRCSA-N 1 0 288.391 2.153 20 70 CEIDRO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609700 525497976 /nfs/dbraw/zinc/49/79/76/525497976.db2.gz BHSOUZZVUAAMBP-VXGBXAGGSA-N 1 0 282.347 2.253 20 70 CEIDRO Cc1ccc([C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)C)CCO2)c(C)c1 ZINC000161474761 525833525 /nfs/dbraw/zinc/83/35/25/525833525.db2.gz RMQMVVAIPRNVEP-HOTGVXAUSA-N 1 0 290.407 2.187 20 70 CEIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000160098539 527254397 /nfs/dbraw/zinc/25/43/97/527254397.db2.gz POAIBVFOBNCBBG-WDEREUQCSA-N 1 0 298.333 2.245 20 70 CEIDRO CCn1ccnc1CN(C)Cc1ccc2c(c1)OCO2 ZINC000160706380 344460607 /nfs/dbraw/zinc/46/06/07/344460607.db2.gz HFFBHZGSEFWCPK-UHFFFAOYSA-N 1 0 273.336 2.264 20 70 CEIDRO CC1(C)CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160727365 344461186 /nfs/dbraw/zinc/46/11/86/344461186.db2.gz KIMUFMXJVQWKIT-AWEZNQCLSA-N 1 0 279.428 2.302 20 70 CEIDRO CCC(CC)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160222990 188461073 /nfs/dbraw/zinc/46/10/73/188461073.db2.gz JKYPMPNKTIUQGD-UHFFFAOYSA-N 1 0 275.396 2.464 20 70 CEIDRO C[NH2+]CCNC(=O)c1cccc(Br)c1Cl ZINC000160409432 188470943 /nfs/dbraw/zinc/47/09/43/188470943.db2.gz VNHXBHPGGHTBJC-UHFFFAOYSA-N 1 0 291.576 2.052 20 70 CEIDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC(C)(C)O ZINC000160594316 188481849 /nfs/dbraw/zinc/48/18/49/188481849.db2.gz OGLJRKQCUOBRCW-JTQLQIEISA-N 1 0 284.787 2.418 20 70 CEIDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)O ZINC000160595067 188482776 /nfs/dbraw/zinc/48/27/76/188482776.db2.gz GSAWNHFLNDPBCN-GFCCVEGCSA-N 1 0 264.369 2.073 20 70 CEIDRO Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000161258152 188518000 /nfs/dbraw/zinc/51/80/00/188518000.db2.gz USLBTHFVVBESPM-AWEZNQCLSA-N 1 0 274.408 2.341 20 70 CEIDRO CC[NH2+]CCNCc1cccc(Br)c1 ZINC000161330750 188522215 /nfs/dbraw/zinc/52/22/15/188522215.db2.gz NJVQVAQTTDKQOP-UHFFFAOYSA-N 1 0 257.175 2.148 20 70 CEIDRO [NH3+]C1(CC(=O)NC2(c3ccccc3F)CC2)CCC1 ZINC000159760647 540103122 /nfs/dbraw/zinc/10/31/22/540103122.db2.gz QIVWPIBDDWBMGF-UHFFFAOYSA-N 1 0 262.328 2.203 20 70 CEIDRO CCCn1nccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000160106293 540112319 /nfs/dbraw/zinc/11/23/19/540112319.db2.gz SWAQWFOKWGRLLT-HNNXBMFYSA-N 1 0 271.364 2.386 20 70 CEIDRO Cc1cccc([C@H](C)CNC(=O)CC2([NH3+])CCC2)c1 ZINC000160738031 540121753 /nfs/dbraw/zinc/12/17/53/540121753.db2.gz DRNVXRBEPLNURP-CYBMUJFWSA-N 1 0 260.381 2.486 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000160775472 540122989 /nfs/dbraw/zinc/12/29/89/540122989.db2.gz WTKOOCGYBALRNB-VXGBXAGGSA-N 1 0 269.348 2.235 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2occc2Br)C1 ZINC000161026946 540131145 /nfs/dbraw/zinc/13/11/45/540131145.db2.gz IMJNXBYCNNTRMM-SFYZADRCSA-N 1 0 287.157 2.042 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2ccccc2Cl)C1 ZINC000161093259 540132986 /nfs/dbraw/zinc/13/29/86/540132986.db2.gz YLDMDXMYABXZGX-NEPJUHHUSA-N 1 0 296.798 2.495 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2ccccc2Cl)C1 ZINC000161093143 540133137 /nfs/dbraw/zinc/13/31/37/540133137.db2.gz YLDMDXMYABXZGX-VXGBXAGGSA-N 1 0 296.798 2.495 20 70 CEIDRO CC(C)Oc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161255240 540135645 /nfs/dbraw/zinc/13/56/45/540135645.db2.gz AKOWYCBVACPFMR-CHWSQXEVSA-N 1 0 276.380 2.474 20 70 CEIDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000161318130 540137030 /nfs/dbraw/zinc/13/70/30/540137030.db2.gz ZHTOAJYXWRXORL-QWRGUYRKSA-N 1 0 250.317 2.134 20 70 CEIDRO COc1cccc(SCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161322400 540137099 /nfs/dbraw/zinc/13/70/99/540137099.db2.gz MHEJRNPQVGEJFL-RYUDHWBXSA-N 1 0 294.420 2.173 20 70 CEIDRO CCOc1ccccc1CCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161341093 540137122 /nfs/dbraw/zinc/13/71/22/540137122.db2.gz OICCXYYWNIACQU-LSDHHAIUSA-N 1 0 290.407 2.404 20 70 CEIDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161490122 540138695 /nfs/dbraw/zinc/13/86/95/540138695.db2.gz MYXYOOSIBBSBFV-DCAQKATOSA-N 1 0 298.333 2.118 20 70 CEIDRO COc1cc(C)nc(C[NH2+]CC2(CO)CCCCC2)c1 ZINC000159729488 540429983 /nfs/dbraw/zinc/42/99/83/540429983.db2.gz MHEWPQSTFKAPCY-UHFFFAOYSA-N 1 0 278.396 2.431 20 70 CEIDRO Nc1nc(Cl)cc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160448897 283684971 /nfs/dbraw/zinc/68/49/71/283684971.db2.gz QNHMNPKPPGFZQJ-LLVKDONJSA-N 1 0 295.818 2.167 20 70 CEIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCN2CCCC2=O)n1 ZINC000159738097 366944577 /nfs/dbraw/zinc/94/45/77/366944577.db2.gz VHXFLYGDZZBTBG-OAHLLOKOSA-N 1 0 273.380 2.149 20 70 CEIDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159364505 366906005 /nfs/dbraw/zinc/90/60/05/366906005.db2.gz IHPHRWNXTCLEPP-MWLCHTKSSA-N 1 0 284.787 2.288 20 70 CEIDRO Cn1ccnc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159371228 366907794 /nfs/dbraw/zinc/90/77/94/366907794.db2.gz COGJAZQRWXDQOD-UHFFFAOYSA-N 1 0 286.423 2.420 20 70 CEIDRO O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000159450506 366915071 /nfs/dbraw/zinc/91/50/71/366915071.db2.gz IMMVNMIIUHAYDS-ARFHVFGLSA-N 1 0 272.392 2.124 20 70 CEIDRO Cc1cnc([C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C)s1 ZINC000159480096 366917626 /nfs/dbraw/zinc/91/76/26/366917626.db2.gz IPHOTDMNKOOKPN-GFCCVEGCSA-N 1 0 298.456 2.494 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159519984 366922237 /nfs/dbraw/zinc/92/22/37/366922237.db2.gz BOGNYISWLMFCLK-MCIONIFRSA-N 1 0 290.407 2.055 20 70 CEIDRO CC[C@@H](O)CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000159569032 366927055 /nfs/dbraw/zinc/92/70/55/366927055.db2.gz YAPJARDXISNTDH-LSDHHAIUSA-N 1 0 263.381 2.303 20 70 CEIDRO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1)N1CCOCC1 ZINC000159594733 366929959 /nfs/dbraw/zinc/92/99/59/366929959.db2.gz ZFEQSGCPHXIUEP-UHFFFAOYSA-N 1 0 284.350 2.165 20 70 CEIDRO CCc1cccc(CC(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000159584402 366930206 /nfs/dbraw/zinc/93/02/06/366930206.db2.gz FIXVXJZSELNORV-MRXNPFEDSA-N 1 0 274.408 2.248 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000159640549 366933996 /nfs/dbraw/zinc/93/39/96/366933996.db2.gz LKLFMKZKJUMHRA-ZDUSSCGKSA-N 1 0 295.452 2.416 20 70 CEIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(-n2cnnn2)cc1 ZINC000159636719 366934154 /nfs/dbraw/zinc/93/41/54/366934154.db2.gz IVUKLVHSMXDWFI-DGCLKSJQSA-N 1 0 289.408 2.209 20 70 CEIDRO CC(C)([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159806986 366949470 /nfs/dbraw/zinc/94/94/70/366949470.db2.gz IGAIYZAYLITYJA-NSHDSACASA-N 1 0 266.772 2.393 20 70 CEIDRO COCC(C)(C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000159816996 366950680 /nfs/dbraw/zinc/95/06/80/366950680.db2.gz VCAAZXZHUFSZSZ-UHFFFAOYSA-N 1 0 282.428 2.136 20 70 CEIDRO C[N@H+](CCn1ccnc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159830349 366950795 /nfs/dbraw/zinc/95/07/95/366950795.db2.gz WHDPMENRISVLCB-MRXNPFEDSA-N 1 0 298.390 2.011 20 70 CEIDRO COC(=O)c1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)oc1C ZINC000159937320 366959684 /nfs/dbraw/zinc/95/96/84/366959684.db2.gz YXSKZYOLLQYTCR-LLVKDONJSA-N 1 0 281.352 2.422 20 70 CEIDRO COc1ccc(S[C@H](C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159931136 366959946 /nfs/dbraw/zinc/95/99/46/366959946.db2.gz AAISXCDWPMRVLN-SNVBAGLBSA-N 1 0 282.409 2.029 20 70 CEIDRO COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000159991100 366964000 /nfs/dbraw/zinc/96/40/00/366964000.db2.gz PUMLLDGHCLZRSJ-BETUJISGSA-N 1 0 260.337 2.100 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160081616 366972042 /nfs/dbraw/zinc/97/20/42/366972042.db2.gz VUGMLXSFJORBMQ-SWLSCSKDSA-N 1 0 298.452 2.192 20 70 CEIDRO Cc1ccc(CCCC(=O)NCC(C)(C)[NH3+])s1 ZINC000160100769 366973760 /nfs/dbraw/zinc/97/37/60/366973760.db2.gz BRKOAYPMAFPUOQ-UHFFFAOYSA-N 1 0 254.399 2.233 20 70 CEIDRO CO[C@@]1(C[NH2+]Cc2nc(C(C)(C)C)cs2)CCOC1 ZINC000160340822 366996694 /nfs/dbraw/zinc/99/66/94/366996694.db2.gz VQJROWONQZFCQX-CQSZACIVSA-N 1 0 284.425 2.336 20 70 CEIDRO C[C@H](CNC(=O)NC1(C)CCC1)[NH+]1CCC(C)CC1 ZINC000160214092 366984398 /nfs/dbraw/zinc/98/43/98/366984398.db2.gz SUDDZXKQURRUFS-CYBMUJFWSA-N 1 0 267.417 2.349 20 70 CEIDRO CC1=CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000160220713 366984533 /nfs/dbraw/zinc/98/45/33/366984533.db2.gz VELUHGFFKNIGMM-UHFFFAOYSA-N 1 0 277.343 2.389 20 70 CEIDRO Cc1cccc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000160247418 366985285 /nfs/dbraw/zinc/98/52/85/366985285.db2.gz FEXUQXVCOFMQOU-HOCLYGCPSA-N 1 0 262.397 2.102 20 70 CEIDRO CCCCn1ncc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000160233826 366986099 /nfs/dbraw/zinc/98/60/99/366986099.db2.gz DYFFZDNRFQUTMO-CYBMUJFWSA-N 1 0 293.415 2.159 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000160279209 366990497 /nfs/dbraw/zinc/99/04/97/366990497.db2.gz DWTDIRWELVGMCA-KGLIPLIRSA-N 1 0 292.398 2.414 20 70 CEIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cn1 ZINC000160068750 366970808 /nfs/dbraw/zinc/97/08/08/366970808.db2.gz BBRDZFRIGXMKBG-LBPRGKRZSA-N 1 0 274.368 2.453 20 70 CEIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(F)cc(F)c1 ZINC000160579092 367019784 /nfs/dbraw/zinc/01/97/84/367019784.db2.gz GJFFEAZPRJXEQA-ZETCQYMHSA-N 1 0 296.239 2.294 20 70 CEIDRO CCCN(C(=O)C[NH2+]C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000160614441 367022489 /nfs/dbraw/zinc/02/24/89/367022489.db2.gz SVPZNLXNAOHBTR-UONOGXRCSA-N 1 0 282.428 2.182 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)/C(C)=C/c2ccc(F)cc2)C1 ZINC000160636078 367023353 /nfs/dbraw/zinc/02/33/53/367023353.db2.gz TWXAPMPMUOFHBU-CFRMROPGSA-N 1 0 262.328 2.049 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000160376504 367001264 /nfs/dbraw/zinc/00/12/64/367001264.db2.gz NPQDBFHYJFSWQY-IHRRRGAJSA-N 1 0 288.391 2.139 20 70 CEIDRO CC(C)c1nccc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000160427237 367005647 /nfs/dbraw/zinc/00/56/47/367005647.db2.gz ZXBDHQVFKFYTHT-OLZOCXBDSA-N 1 0 262.401 2.376 20 70 CEIDRO CCc1nnc([C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000160507365 367011524 /nfs/dbraw/zinc/01/15/24/367011524.db2.gz YPTKKVHIPOCDLE-YWPYICTPSA-N 1 0 279.384 2.320 20 70 CEIDRO Cc1cccc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]C2)c1C ZINC000160835444 367037302 /nfs/dbraw/zinc/03/73/02/367037302.db2.gz HTXYMGBRFISIBE-UONOGXRCSA-N 1 0 260.381 2.480 20 70 CEIDRO C[C@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881037 367040429 /nfs/dbraw/zinc/04/04/29/367040429.db2.gz RLTHONDPQFZCPS-NSHDSACASA-N 1 0 280.799 2.468 20 70 CEIDRO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161086813 367054590 /nfs/dbraw/zinc/05/45/90/367054590.db2.gz UJMXDQYOOFYGGG-CABCVRRESA-N 1 0 276.380 2.169 20 70 CEIDRO CCC[N@H+](C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078834 367055434 /nfs/dbraw/zinc/05/54/34/367055434.db2.gz RNSYNXXJYCVMRW-UONOGXRCSA-N 1 0 271.426 2.242 20 70 CEIDRO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)CO1 ZINC000161089285 367056808 /nfs/dbraw/zinc/05/68/08/367056808.db2.gz PEWHLHVUPWKXRP-KBMXLJTQSA-N 1 0 288.391 2.117 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000161102010 367057783 /nfs/dbraw/zinc/05/77/83/367057783.db2.gz BGPDSTWHLMYZLN-GJZGRUSLSA-N 1 0 294.370 2.114 20 70 CEIDRO CCOc1cc(C[NH2+]C(C)(C)[C@@H](C)O)ccc1OC ZINC000161126467 367059469 /nfs/dbraw/zinc/05/94/69/367059469.db2.gz YNKGBFNJWDQKOO-LLVKDONJSA-N 1 0 267.369 2.343 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000161171481 367063556 /nfs/dbraw/zinc/06/35/56/367063556.db2.gz JJGBTMVWXALITD-OCCSQVGLSA-N 1 0 280.437 2.295 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000161176913 367065312 /nfs/dbraw/zinc/06/53/12/367065312.db2.gz BJWMAXUXNNOJLS-HIFRSBDPSA-N 1 0 284.444 2.332 20 70 CEIDRO CCC(CC)c1cc(C(=O)N2CCC[C@@H]2C[NH2+]C)on1 ZINC000161177322 367065457 /nfs/dbraw/zinc/06/54/57/367065457.db2.gz MZOXVDLTPUDNOC-GFCCVEGCSA-N 1 0 279.384 2.402 20 70 CEIDRO [NH3+]C1(C(=O)Nc2cnn(CC(F)(F)F)c2)CCCCC1 ZINC000161194622 367066931 /nfs/dbraw/zinc/06/69/31/367066931.db2.gz OBQIDJUKHXCEKF-UHFFFAOYSA-N 1 0 290.289 2.046 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161229289 367070758 /nfs/dbraw/zinc/07/07/58/367070758.db2.gz IMCFINSIPHLYLV-QWRGUYRKSA-N 1 0 260.447 2.398 20 70 CEIDRO CCc1nc(CNC(=O)C(CC)(CC)C[NH3+])cs1 ZINC000161291588 367076141 /nfs/dbraw/zinc/07/61/41/367076141.db2.gz LWTNKEXOCTYXNL-UHFFFAOYSA-N 1 0 269.414 2.087 20 70 CEIDRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(=O)NC(C)(C)C ZINC000161317508 367077404 /nfs/dbraw/zinc/07/74/04/367077404.db2.gz QGLWTISLEOQEGB-SECBINFHSA-N 1 0 270.323 2.358 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000160766361 367032509 /nfs/dbraw/zinc/03/25/09/367032509.db2.gz QCLZXWIAPMYHHQ-VWYCJHECSA-N 1 0 296.773 2.403 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000160766495 367032726 /nfs/dbraw/zinc/03/27/26/367032726.db2.gz QCLZXWIAPMYHHQ-DCAQKATOSA-N 1 0 296.773 2.403 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1 ZINC000160789269 367033776 /nfs/dbraw/zinc/03/37/76/367033776.db2.gz NURCXVZKEAKUHU-CQSZACIVSA-N 1 0 297.358 2.308 20 70 CEIDRO COc1ccc(N(C)C(=O)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000161442777 367086221 /nfs/dbraw/zinc/08/62/21/367086221.db2.gz NLFINYZIHVKJHT-SNVBAGLBSA-N 1 0 282.771 2.454 20 70 CEIDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1F ZINC000161460216 367087942 /nfs/dbraw/zinc/08/79/42/367087942.db2.gz OGGJOTPPHPZQTJ-UONOGXRCSA-N 1 0 276.355 2.491 20 70 CEIDRO COc1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000161495140 367092195 /nfs/dbraw/zinc/09/21/95/367092195.db2.gz BRSZEBYPONDXPC-LLVKDONJSA-N 1 0 282.771 2.107 20 70 CEIDRO Cn1ncc2c1CCC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217699879 370200457 /nfs/dbraw/zinc/20/04/57/370200457.db2.gz IELAOJMGYGPLMU-DZKIICNBSA-N 1 0 274.412 2.014 20 70 CEIDRO CCCOc1cccc(CCNC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000161211835 249319802 /nfs/dbraw/zinc/31/98/02/249319802.db2.gz LEWKIXNHEYVPEV-MRXNPFEDSA-N 1 0 290.407 2.228 20 70 CEIDRO C[C@@H](O)C[N@H+](CCOCC1CC1)C1CCCCC1 ZINC000160312032 533658009 /nfs/dbraw/zinc/65/80/09/533658009.db2.gz NVOSCXLLAWUFAY-CYBMUJFWSA-N 1 0 255.402 2.429 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NCC[N@H+](C)C(C)C ZINC000161138656 395063347 /nfs/dbraw/zinc/06/33/47/395063347.db2.gz QTKZXNBCXAFVGG-UHFFFAOYSA-N 1 0 272.433 2.164 20 70 CEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000161053702 400284452 /nfs/dbraw/zinc/28/44/52/400284452.db2.gz XRNTVCXOWPPKRS-PKFCDNJMSA-N 1 0 282.359 2.385 20 70 CEIDRO CN(Cc1ccc(OC(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159741302 162313719 /nfs/dbraw/zinc/31/37/19/162313719.db2.gz DVDXCQDNZIUHJD-ZDUSSCGKSA-N 1 0 270.323 2.457 20 70 CEIDRO CN(C(=O)c1cc2c(s1)CCCC2)[C@@H](C[NH3+])C1CC1 ZINC000159835932 162316443 /nfs/dbraw/zinc/31/64/43/162316443.db2.gz AIXDCHCABAHPFN-LBPRGKRZSA-N 1 0 278.421 2.436 20 70 CEIDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c2ccccc2n1 ZINC000159879166 162316475 /nfs/dbraw/zinc/31/64/75/162316475.db2.gz DUHVSQURRFRWPQ-INIZCTEOSA-N 1 0 283.375 2.353 20 70 CEIDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159811334 162316876 /nfs/dbraw/zinc/31/68/76/162316876.db2.gz BXKICBVPWHROQL-MRVPVSSYSA-N 1 0 291.273 2.444 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](CC)c1cnn(C)c1 ZINC000160063327 162322066 /nfs/dbraw/zinc/32/20/66/162322066.db2.gz CTHWXBSGRRXUAC-OCCSQVGLSA-N 1 0 252.406 2.191 20 70 CEIDRO Cc1cccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160053572 162323729 /nfs/dbraw/zinc/32/37/29/162323729.db2.gz BUPFKNZGRMEPIL-IYBDPMFKSA-N 1 0 272.392 2.281 20 70 CEIDRO CCCCOCCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000160508943 276237780 /nfs/dbraw/zinc/23/77/80/276237780.db2.gz SFAAICFRCWXKNU-ZIAGYGMSSA-N 1 0 270.417 2.217 20 70 CEIDRO CCN(CC[NH2+][C@@H](C)Cc1ccc(O)cc1)C1CC1 ZINC000217429079 279206384 /nfs/dbraw/zinc/20/63/84/279206384.db2.gz VKIZJWAPJCNODF-ZDUSSCGKSA-N 1 0 262.397 2.397 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000161178161 282070901 /nfs/dbraw/zinc/07/09/01/282070901.db2.gz LVSDWBXGWMZTCW-KBPBESRZSA-N 1 0 284.444 2.463 20 70 CEIDRO NC(=O)CC1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000159833399 297431282 /nfs/dbraw/zinc/43/12/82/297431282.db2.gz MDLGYFNSESEHFM-UHFFFAOYSA-N 1 0 279.409 2.108 20 70 CEIDRO CCOCCC1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC000160301452 297434755 /nfs/dbraw/zinc/43/47/55/297434755.db2.gz YOSRTAPAGUFLDU-CYBMUJFWSA-N 1 0 270.417 2.040 20 70 CEIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000160999549 297440319 /nfs/dbraw/zinc/44/03/19/297440319.db2.gz BYLLZUSKBSTSTK-LLVKDONJSA-N 1 0 294.420 2.385 20 70 CEIDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cnn(C)c1 ZINC000161112534 297441571 /nfs/dbraw/zinc/44/15/71/297441571.db2.gz LAFLGXHONHIYNJ-AWEZNQCLSA-N 1 0 287.363 2.432 20 70 CEIDRO CC[C@@H](NC(=O)NCC[NH+](CC)CC)c1c(C)noc1C ZINC000161130234 297442224 /nfs/dbraw/zinc/44/22/24/297442224.db2.gz KKIKTWTWDRWKPJ-CYBMUJFWSA-N 1 0 296.415 2.384 20 70 CEIDRO C[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC[C@@H]1[NH3+] ZINC000160207939 300116827 /nfs/dbraw/zinc/11/68/27/300116827.db2.gz XXKBRAKEANVUHY-YZQVSVNPSA-N 1 0 276.424 2.254 20 70 CEIDRO CC[C@@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000160818394 529298741 /nfs/dbraw/zinc/29/87/41/529298741.db2.gz RTPZVGUMVVFVOP-CYBMUJFWSA-N 1 0 261.431 2.322 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCSC2(CCCCC2)C1 ZINC000161452426 303642407 /nfs/dbraw/zinc/64/24/07/303642407.db2.gz QPFBWGDORPMWHR-ZDUSSCGKSA-N 1 0 282.453 2.407 20 70 CEIDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccoc1 ZINC000160705362 312639600 /nfs/dbraw/zinc/63/96/00/312639600.db2.gz IQPOELWHVWRTCA-SCZZXKLOSA-N 1 0 276.258 2.093 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159773796 500735816 /nfs/dbraw/zinc/73/58/16/500735816.db2.gz YQGOIUYSFUIEDR-GXTWGEPZSA-N 1 0 296.386 2.473 20 70 CEIDRO CC(C)[C@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161427523 519810550 /nfs/dbraw/zinc/81/05/50/519810550.db2.gz IKHLXVJYFRGIBR-HABKJSAYSA-N 1 0 252.402 2.410 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2cccnc2)CC1 ZINC000161086693 519914398 /nfs/dbraw/zinc/91/43/98/519914398.db2.gz GURHAIUEHIKBJQ-HOTGVXAUSA-N 1 0 287.407 2.033 20 70 CEIDRO CCCCOC(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000160593122 520714723 /nfs/dbraw/zinc/71/47/23/520714723.db2.gz CGDCTLVXQZPXMJ-CQSZACIVSA-N 1 0 282.428 2.278 20 70 CEIDRO CCN(CCC[NH+]1CCCCC1)Cc1cnn(C)c1 ZINC000161440056 521014015 /nfs/dbraw/zinc/01/40/15/521014015.db2.gz SSFBHRIJGAJLIK-UHFFFAOYSA-N 1 0 264.417 2.118 20 70 CEIDRO CCCC[C@@H](COC)NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160410456 521050987 /nfs/dbraw/zinc/05/09/87/521050987.db2.gz OKGXVTFYYQFRGM-LSDHHAIUSA-N 1 0 299.459 2.173 20 70 CEIDRO CCC(CC)CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160564970 521528542 /nfs/dbraw/zinc/52/85/42/521528542.db2.gz MNBJHJGRSVHQNK-AWEZNQCLSA-N 1 0 267.417 2.302 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)on1 ZINC000161326979 522031812 /nfs/dbraw/zinc/03/18/12/522031812.db2.gz WPHIYVGMCIXGGL-RYUDHWBXSA-N 1 0 279.384 2.260 20 70 CEIDRO COC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)C1CC1 ZINC000161440632 522354691 /nfs/dbraw/zinc/35/46/91/522354691.db2.gz NMPRZRNMVXFCGU-OAHLLOKOSA-N 1 0 279.380 2.261 20 70 CEIDRO CCc1nnc(C[NH2+][C@H](Cc2ccccc2)C2CC2)[nH]1 ZINC000160591371 522354954 /nfs/dbraw/zinc/35/49/54/522354954.db2.gz VKHUDOBRKNYJCW-CQSZACIVSA-N 1 0 270.380 2.478 20 70 CEIDRO COC[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000161476356 522363468 /nfs/dbraw/zinc/36/34/68/522363468.db2.gz JQEHSLVZIIYIAA-MRXNPFEDSA-N 1 0 290.407 2.038 20 70 CEIDRO O=C(Cc1c(F)cccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160749115 527197146 /nfs/dbraw/zinc/19/71/46/527197146.db2.gz WIGWSFJCJMARGW-PHIMTYICSA-N 1 0 296.773 2.375 20 70 CEIDRO Cc1nccn1CCCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161468799 527399206 /nfs/dbraw/zinc/39/92/06/527399206.db2.gz XOSJOOVBBGGPEU-CYBMUJFWSA-N 1 0 265.401 2.471 20 70 CEIDRO C(CN1CCC[C@@H]1C[NH+]1CCCCC1)OCC1CC1 ZINC000160413977 527479953 /nfs/dbraw/zinc/47/99/53/527479953.db2.gz NIIMUWJPFSTOOO-MRXNPFEDSA-N 1 0 266.429 2.363 20 70 CEIDRO OCCCC[N@H+](Cc1cnc2ccccn12)C1CC1 ZINC000160465514 527537625 /nfs/dbraw/zinc/53/76/25/527537625.db2.gz HZNSBOSAKRELSL-UHFFFAOYSA-N 1 0 259.353 2.071 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000160407826 282127902 /nfs/dbraw/zinc/12/79/02/282127902.db2.gz MANYZSGZQXEYJT-FABXCBLPSA-N 1 0 282.391 2.424 20 70 CEIDRO C[C@H]1CCc2sc(C(=O)N3CCC[C@H]3C[NH3+])cc2C1 ZINC000160167994 290659317 /nfs/dbraw/zinc/65/93/17/290659317.db2.gz VWEYHTQTINNOPZ-JQWIXIFHSA-N 1 0 278.421 2.436 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000159365860 344454710 /nfs/dbraw/zinc/45/47/10/344454710.db2.gz UDUOSSSPLALFQD-CQSZACIVSA-N 1 0 281.396 2.139 20 70 CEIDRO c1c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc2ncccn12 ZINC000159583862 344455652 /nfs/dbraw/zinc/45/56/52/344455652.db2.gz LWSBLPCWLNMSAB-JSGCOSHPSA-N 1 0 256.353 2.494 20 70 CEIDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCC(C)(C)C)CC1 ZINC000160113136 344457120 /nfs/dbraw/zinc/45/71/20/344457120.db2.gz IWJHCAGWPRIAHV-HNNXBMFYSA-N 1 0 297.487 2.203 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)c1cccs1 ZINC000160183097 344457649 /nfs/dbraw/zinc/45/76/49/344457649.db2.gz QIJGYZKPPFEZCQ-NSHDSACASA-N 1 0 254.399 2.308 20 70 CEIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000160657365 344460749 /nfs/dbraw/zinc/46/07/49/344460749.db2.gz RESALKZPDKJNEL-CQSZACIVSA-N 1 0 279.428 2.445 20 70 CEIDRO CC1(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCCC1 ZINC000160724596 344461358 /nfs/dbraw/zinc/46/13/58/344461358.db2.gz JNGGNWWSMOJMQQ-CQSZACIVSA-N 1 0 279.428 2.493 20 70 CEIDRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000159689946 232248409 /nfs/dbraw/zinc/24/84/09/232248409.db2.gz BROHBLQHQMSIOD-MWLCHTKSSA-N 1 0 290.260 2.155 20 70 CEIDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)O)nnn1-c1ccc(F)cc1 ZINC000160625041 232251390 /nfs/dbraw/zinc/25/13/90/232251390.db2.gz FQEOMMPVGOYEND-SNVBAGLBSA-N 1 0 292.358 2.136 20 70 CEIDRO Cc1ccc(CC(=O)NCC2([NH3+])CCCCC2)s1 ZINC000159495813 188428361 /nfs/dbraw/zinc/42/83/61/188428361.db2.gz NZFRTSUZTLWYFO-UHFFFAOYSA-N 1 0 266.410 2.377 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)/C(C)=C/c2ccc(F)cc2)C1 ZINC000160635960 188484251 /nfs/dbraw/zinc/48/42/51/188484251.db2.gz TWXAPMPMUOFHBU-MARXPDLDSA-N 1 0 262.328 2.049 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160906935 188497180 /nfs/dbraw/zinc/49/71/80/188497180.db2.gz IZLIKUGGPGELMD-NWANDNLSSA-N 1 0 260.381 2.374 20 70 CEIDRO CC1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160046297 540110941 /nfs/dbraw/zinc/11/09/41/540110941.db2.gz GOEZPJOBCOTOQD-DHNHGVONSA-N 1 0 294.439 2.214 20 70 CEIDRO C[C@@H]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C[C@@H]1[NH3+] ZINC000160199921 540113269 /nfs/dbraw/zinc/11/32/69/540113269.db2.gz QFYRMGXWZRFSOP-NZYIEUEFSA-N 1 0 276.424 2.254 20 70 CEIDRO CCOc1ccccc1CCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161341273 540136994 /nfs/dbraw/zinc/13/69/94/540136994.db2.gz OICCXYYWNIACQU-HUUCEWRRSA-N 1 0 290.407 2.404 20 70 CEIDRO Cc1nc(CCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000161195252 540135127 /nfs/dbraw/zinc/13/51/27/540135127.db2.gz WFOSTWQHFOFART-VXGBXAGGSA-N 1 0 281.425 2.160 20 70 CEIDRO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161231574 540135276 /nfs/dbraw/zinc/13/52/76/540135276.db2.gz BRXXDQVRMUCYEI-MELADBBJSA-N 1 0 270.417 2.214 20 70 CEIDRO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CC[NH3+])C1 ZINC000161042740 291153782 /nfs/dbraw/zinc/15/37/82/291153782.db2.gz NEAUPWXHMURANB-GXFFZTMASA-N 1 0 250.317 2.084 20 70 CEIDRO C[C@@H](CC(=O)NCCC1CC[NH+](C)CC1)c1ccncc1 ZINC000159694946 540423879 /nfs/dbraw/zinc/42/38/79/540423879.db2.gz KBEWFSFIVNRSOY-AWEZNQCLSA-N 1 0 289.423 2.423 20 70 CEIDRO C[C@@H](CC(=O)NCC1CC[NH+](C)CC1)c1ccncc1 ZINC000159724623 540429981 /nfs/dbraw/zinc/42/99/81/540429981.db2.gz ALYWYXGNTWPPTD-ZDUSSCGKSA-N 1 0 275.396 2.033 20 70 CEIDRO C[NH+](C)CCCNC(=O)NCCC1CCCCC1 ZINC000217305155 540446214 /nfs/dbraw/zinc/44/62/14/540446214.db2.gz VLAISKUCHYGSCK-UHFFFAOYSA-N 1 0 255.406 2.208 20 70 CEIDRO C[C@H](CNCc1cnc2ccccc2n1)[N@H+](C)C1CC1 ZINC000217620397 540449024 /nfs/dbraw/zinc/44/90/24/540449024.db2.gz FSORKNOLMUPZDZ-GFCCVEGCSA-N 1 0 270.380 2.202 20 70 CEIDRO CCCC[N@H+](C)CCNc1ccc(C(=O)OC)c(C)n1 ZINC000159711745 366941194 /nfs/dbraw/zinc/94/11/94/366941194.db2.gz XJMAZRHNZKBHSQ-UHFFFAOYSA-N 1 0 279.384 2.320 20 70 CEIDRO O=C(N[C@H]1CCC[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000159715633 366941852 /nfs/dbraw/zinc/94/18/52/366941852.db2.gz ARVSBZQCYRIKJC-CVEARBPZSA-N 1 0 272.392 2.439 20 70 CEIDRO COC(=O)C1(N(C)CC[NH+]2CCC(C)CC2)CCCC1 ZINC000159498127 366920008 /nfs/dbraw/zinc/92/00/08/366920008.db2.gz NHWGHMLGZROXBJ-UHFFFAOYSA-N 1 0 282.428 2.136 20 70 CEIDRO CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159520898 366922677 /nfs/dbraw/zinc/92/26/77/366922677.db2.gz HEUCBQSZJBMYDY-HOCLYGCPSA-N 1 0 290.407 2.132 20 70 CEIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000159546769 366924490 /nfs/dbraw/zinc/92/44/90/366924490.db2.gz WANVZMLLGPSMGG-LLVKDONJSA-N 1 0 281.425 2.338 20 70 CEIDRO COC[C@H](C)C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000159549074 366924908 /nfs/dbraw/zinc/92/49/08/366924908.db2.gz RMUAGHBQYLAGHC-LLVKDONJSA-N 1 0 253.342 2.115 20 70 CEIDRO O=C(c1ccc(OC(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159581118 366928167 /nfs/dbraw/zinc/92/81/67/366928167.db2.gz QFEXZBIQCHPXLL-TXEJJXNPSA-N 1 0 296.317 2.255 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000159600721 366931252 /nfs/dbraw/zinc/93/12/52/366931252.db2.gz NDZIKFJLCWITNF-SWLSCSKDSA-N 1 0 286.375 2.048 20 70 CEIDRO c1cc2c(c(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159642984 366934037 /nfs/dbraw/zinc/93/40/37/366934037.db2.gz TZSZNEZAURQFCV-MAZHCROVSA-N 1 0 287.359 2.463 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159634407 366934182 /nfs/dbraw/zinc/93/41/82/366934182.db2.gz PUHCYAIBMNKFJT-ZFWWWQNUSA-N 1 0 260.381 2.389 20 70 CEIDRO Nc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159649491 366935685 /nfs/dbraw/zinc/93/56/85/366935685.db2.gz XENSQQRSHMECQB-UHFFFAOYSA-N 1 0 275.396 2.311 20 70 CEIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000159780163 366948262 /nfs/dbraw/zinc/94/82/62/366948262.db2.gz GBVWBROPNKTIIQ-LBPRGKRZSA-N 1 0 293.363 2.471 20 70 CEIDRO COC(=O)c1cc(C[NH2+][C@H]2CCOC(C)(C)C2)oc1C ZINC000159937419 366959877 /nfs/dbraw/zinc/95/98/77/366959877.db2.gz YXSKZYOLLQYTCR-NSHDSACASA-N 1 0 281.352 2.422 20 70 CEIDRO Cc1nn(C)cc1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000160147837 366976450 /nfs/dbraw/zinc/97/64/50/366976450.db2.gz AFDCCPSPSUZXSU-ZDUSSCGKSA-N 1 0 271.364 2.384 20 70 CEIDRO CN(CC(=O)Nc1ccc(F)cc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160065304 366970744 /nfs/dbraw/zinc/97/07/44/366970744.db2.gz BDBYZIRNGIAVGT-ZDUSSCGKSA-N 1 0 299.777 2.087 20 70 CEIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(F)cc(F)c1 ZINC000160579231 367020003 /nfs/dbraw/zinc/02/00/03/367020003.db2.gz GJFFEAZPRJXEQA-SSDOTTSWSA-N 1 0 296.239 2.294 20 70 CEIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)O ZINC000160597448 367020380 /nfs/dbraw/zinc/02/03/80/367020380.db2.gz NYADPQKKIYIILR-AWEZNQCLSA-N 1 0 269.360 2.134 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000160374833 367001170 /nfs/dbraw/zinc/00/11/70/367001170.db2.gz UZMATKONBXHUOF-ZFWWWQNUSA-N 1 0 290.407 2.385 20 70 CEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160396360 367002430 /nfs/dbraw/zinc/00/24/30/367002430.db2.gz XDOMXBZKHLHOEB-HUUCEWRRSA-N 1 0 290.382 2.216 20 70 CEIDRO CCc1ccc(/C=C/C(=O)N(C)[C@H]2CCC[N@H+](C)C2)o1 ZINC000160462764 367007702 /nfs/dbraw/zinc/00/77/02/367007702.db2.gz DQDHJUYHNOWRLB-LXKVQUBZSA-N 1 0 276.380 2.408 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccc(C(C)C)cc2)C1 ZINC000160528396 367013569 /nfs/dbraw/zinc/01/35/69/367013569.db2.gz PZJMVKLKBIHHTL-OAHLLOKOSA-N 1 0 290.407 2.399 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H]1OCCc2ccccc21 ZINC000160538133 367015374 /nfs/dbraw/zinc/01/53/74/367015374.db2.gz YJHKFZBGKWFZIZ-HNNXBMFYSA-N 1 0 290.407 2.324 20 70 CEIDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160554132 367016620 /nfs/dbraw/zinc/01/66/20/367016620.db2.gz CZTNKOCAQLSSGQ-ZANVPECISA-N 1 0 286.297 2.188 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000160553776 367017325 /nfs/dbraw/zinc/01/73/25/367017325.db2.gz MUZMTVQAAMDKAV-QWHCGFSZSA-N 1 0 278.396 2.161 20 70 CEIDRO Cn1cnnc1CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000160806389 367035512 /nfs/dbraw/zinc/03/55/12/367035512.db2.gz UBCFHICYPCLANE-AWEZNQCLSA-N 1 0 274.343 2.161 20 70 CEIDRO CC(C)C1(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000160819912 367036338 /nfs/dbraw/zinc/03/63/38/367036338.db2.gz DWVJHYIROLLQRP-AGUYFDCRSA-N 1 0 264.413 2.460 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000160940289 367044835 /nfs/dbraw/zinc/04/48/35/367044835.db2.gz VKIAZKFHVTUQBH-HUUCEWRRSA-N 1 0 260.381 2.437 20 70 CEIDRO COCCC1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000161035732 367051212 /nfs/dbraw/zinc/05/12/12/367051212.db2.gz UNWVDOTUWFPYOW-AWEZNQCLSA-N 1 0 282.428 2.040 20 70 CEIDRO C[N@H+](CCOc1ccc(F)cc1)[C@H]1CCCC[C@@H]1O ZINC000161079080 367055554 /nfs/dbraw/zinc/05/55/54/367055554.db2.gz KRKRSHOGOFVMCM-GJZGRUSLSA-N 1 0 267.344 2.440 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000161155777 367062557 /nfs/dbraw/zinc/06/25/57/367062557.db2.gz BBSXBIYINOAOAM-VIFPVBQESA-N 1 0 285.771 2.360 20 70 CEIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161162775 367063879 /nfs/dbraw/zinc/06/38/79/367063879.db2.gz DRIXRKZBMOEDMO-GYSYKLTISA-N 1 0 282.359 2.083 20 70 CEIDRO COCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000161217173 367069012 /nfs/dbraw/zinc/06/90/12/367069012.db2.gz VTTSBGUTSWIMPD-AWEZNQCLSA-N 1 0 284.444 2.286 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000161221517 367070063 /nfs/dbraw/zinc/07/00/63/367070063.db2.gz HSVREIXWBVMYEV-UKRRQHHQSA-N 1 0 280.412 2.079 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000161235057 367070414 /nfs/dbraw/zinc/07/04/14/367070414.db2.gz BGRPFEIMLIIWRI-UHFFFAOYSA-N 1 0 278.371 2.405 20 70 CEIDRO CC1(O)CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000161222218 367070494 /nfs/dbraw/zinc/07/04/94/367070494.db2.gz NQZBFDBVOOKJDF-HUUCEWRRSA-N 1 0 294.439 2.014 20 70 CEIDRO c1cc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n[nH]1 ZINC000161290643 367076211 /nfs/dbraw/zinc/07/62/11/367076211.db2.gz GACXBZSVUFVRAV-OAHLLOKOSA-N 1 0 276.428 2.465 20 70 CEIDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccoc1 ZINC000160705097 367028508 /nfs/dbraw/zinc/02/85/08/367028508.db2.gz IQPOELWHVWRTCA-PSASIEDQSA-N 1 0 276.258 2.093 20 70 CEIDRO COCCCCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000218170064 370206775 /nfs/dbraw/zinc/20/67/75/370206775.db2.gz YAUQRWVSPVXWAY-UHFFFAOYSA-N 1 0 261.369 2.480 20 70 CEIDRO CC[NH+](CC)CC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160729156 284577951 /nfs/dbraw/zinc/57/79/51/284577951.db2.gz NCSSVSKAMSBXSP-CQSZACIVSA-N 1 0 282.428 2.326 20 70 CEIDRO C[C@@H]1CCc2sc(C(=O)N3CC[C@@H]([NH3+])C3)cc2C1 ZINC000160206656 395060118 /nfs/dbraw/zinc/06/01/18/395060118.db2.gz YGNJOGLKBCPACM-MWLCHTKSSA-N 1 0 264.394 2.046 20 70 CEIDRO CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000160120048 395060388 /nfs/dbraw/zinc/06/03/88/395060388.db2.gz JFRWOARFSBCWPH-CVEARBPZSA-N 1 0 272.392 2.002 20 70 CEIDRO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217146586 400307268 /nfs/dbraw/zinc/30/72/68/400307268.db2.gz KERABBGWRYFTQY-GOEBONIOSA-N 1 0 295.471 2.192 20 70 CEIDRO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1O ZINC000217906332 153296723 /nfs/dbraw/zinc/29/67/23/153296723.db2.gz DDXZPLYKKBURIL-JSGCOSHPSA-N 1 0 276.380 2.069 20 70 CEIDRO O=C(c1ccc(Cl)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159838513 162316313 /nfs/dbraw/zinc/31/63/13/162316313.db2.gz DRLNEBYXPWUUGR-DTORHVGOSA-N 1 0 270.785 2.368 20 70 CEIDRO CCOC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160138925 162321398 /nfs/dbraw/zinc/32/13/98/162321398.db2.gz LPSYWNBKZFYTJO-CQSZACIVSA-N 1 0 262.353 2.480 20 70 CEIDRO CCc1ccc(CC(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000160049842 162322512 /nfs/dbraw/zinc/32/25/12/162322512.db2.gz RTFSGEKXICEYTL-UHFFFAOYSA-N 1 0 274.408 2.344 20 70 CEIDRO OCC1(C[NH2+]Cc2cccc3c2OCCO3)CCCC1 ZINC000160077498 162323588 /nfs/dbraw/zinc/32/35/88/162323588.db2.gz IGKIKUWTVOOMLW-UHFFFAOYSA-N 1 0 277.364 2.100 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000160359279 162327177 /nfs/dbraw/zinc/32/71/77/162327177.db2.gz UZESBEJVESYZJE-CQSZACIVSA-N 1 0 250.386 2.287 20 70 CEIDRO C1COC2(CCC([NH2+][C@H]3CCC[C@H]4OCC[C@H]43)CC2)O1 ZINC000161033325 275736733 /nfs/dbraw/zinc/73/67/33/275736733.db2.gz RMUIPFIDOPIRDQ-SOUVJXGZSA-N 1 0 281.396 2.219 20 70 CEIDRO CCC[C@]1(C)CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000160933870 276293409 /nfs/dbraw/zinc/29/34/09/276293409.db2.gz XUUJIZOTAOUBEW-UKRRQHHQSA-N 1 0 252.402 2.415 20 70 CEIDRO CC(C)(C)CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000159907553 277137975 /nfs/dbraw/zinc/13/79/75/277137975.db2.gz IDPGTSWYAMEXIZ-HNNXBMFYSA-N 1 0 296.455 2.384 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000159753750 279286636 /nfs/dbraw/zinc/28/66/36/279286636.db2.gz CINGSCYBDRJYCS-HZPDHXFCSA-N 1 0 287.407 2.280 20 70 CEIDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431307 297428836 /nfs/dbraw/zinc/42/88/36/297428836.db2.gz WUVLCXCOCYDSLF-WFASDCNBSA-N 1 0 299.436 2.292 20 70 CEIDRO O=C(C1C2CC3CC(C2)CC1C3)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160545088 303545470 /nfs/dbraw/zinc/54/54/70/303545470.db2.gz PFPREDPCEODRSR-TWRNUZMCSA-N 1 0 288.435 2.412 20 70 CEIDRO CS[C@H](C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160926399 312643305 /nfs/dbraw/zinc/64/33/05/312643305.db2.gz HTHIXQHKZJNSHE-PNESKVBLSA-N 1 0 287.473 2.158 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000160359032 519851673 /nfs/dbraw/zinc/85/16/73/519851673.db2.gz QWFHNDZLYAOZSO-UHFFFAOYSA-N 1 0 281.425 2.318 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161028236 534591432 /nfs/dbraw/zinc/59/14/32/534591432.db2.gz VBHXRKFWQORAGZ-UONOGXRCSA-N 1 0 250.386 2.071 20 70 CEIDRO CN(CCC[NH+]1CCCCC1)Cc1nccs1 ZINC000161388308 522748493 /nfs/dbraw/zinc/74/84/93/522748493.db2.gz PPYJFHYTWZPMEB-UHFFFAOYSA-N 1 0 253.415 2.451 20 70 CEIDRO CCc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)oc1CC ZINC000160367572 523759328 /nfs/dbraw/zinc/75/93/28/523759328.db2.gz XEDPHJLXXLGGKD-LBPRGKRZSA-N 1 0 278.396 2.428 20 70 CEIDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160838490 524356792 /nfs/dbraw/zinc/35/67/92/524356792.db2.gz LHSFWGWRIZJRMK-LLVKDONJSA-N 1 0 286.778 2.289 20 70 CEIDRO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000159493086 524698741 /nfs/dbraw/zinc/69/87/41/524698741.db2.gz ISAICMAMDRCBOB-WDEREUQCSA-N 1 0 282.334 2.184 20 70 CEIDRO CSCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000160389469 525433808 /nfs/dbraw/zinc/43/38/08/525433808.db2.gz IONYPLZQOMBFAR-ZDUSSCGKSA-N 1 0 287.473 2.111 20 70 CEIDRO NC(=O)C1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218322598 526855260 /nfs/dbraw/zinc/85/52/60/526855260.db2.gz XLXYMIJJGKCGEA-UHFFFAOYSA-N 1 0 271.364 2.302 20 70 CEIDRO CCOCCC[NH+]1CCN(Cc2csc(CC)n2)CC1 ZINC000159609567 528660962 /nfs/dbraw/zinc/66/09/62/528660962.db2.gz KMNFZNZFCKEDKT-UHFFFAOYSA-N 1 0 297.468 2.250 20 70 CEIDRO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160631152 529254228 /nfs/dbraw/zinc/25/42/28/529254228.db2.gz PXBFDWKTDPOHPN-GXTWGEPZSA-N 1 0 278.421 2.378 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000160407944 282119876 /nfs/dbraw/zinc/11/98/76/282119876.db2.gz MANYZSGZQXEYJT-PZSREKOKSA-N 1 0 282.391 2.424 20 70 CEIDRO CC(C)CC[N@H+](CCCCS(C)(=O)=O)C1CC1 ZINC000161371572 539279425 /nfs/dbraw/zinc/27/94/25/539279425.db2.gz XMDAEELYTDPUBE-UHFFFAOYSA-N 1 0 261.431 2.322 20 70 CEIDRO FC(F)(F)c1nnc(N[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000160328936 344458409 /nfs/dbraw/zinc/45/84/09/344458409.db2.gz KOXLAUAOURJCHW-ZCFIWIBFSA-N 1 0 278.303 2.206 20 70 CEIDRO CCCCOCCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000160317717 344458426 /nfs/dbraw/zinc/45/84/26/344458426.db2.gz BTNODIBKAGGQFL-AWEZNQCLSA-N 1 0 270.417 2.089 20 70 CEIDRO CSCC[NH2+]Cc1cncc(Br)c1 ZINC000160577720 344459725 /nfs/dbraw/zinc/45/97/25/344459725.db2.gz WIDDKXDPEHAAFL-UHFFFAOYSA-N 1 0 261.188 2.297 20 70 CEIDRO COC(CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000161357501 232253861 /nfs/dbraw/zinc/25/38/61/232253861.db2.gz CLNBKIRVVPCVRC-INIZCTEOSA-N 1 0 292.423 2.202 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000160375079 188469398 /nfs/dbraw/zinc/46/93/98/188469398.db2.gz UZMATKONBXHUOF-HIFRSBDPSA-N 1 0 290.407 2.385 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000160589692 188482328 /nfs/dbraw/zinc/48/23/28/188482328.db2.gz MYFLPGXXUNWKPF-LBPRGKRZSA-N 1 0 289.766 2.322 20 70 CEIDRO CCOc1ccc(CCC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161226033 188516787 /nfs/dbraw/zinc/51/67/87/188516787.db2.gz NHLJQAYZBHIKNH-HNNXBMFYSA-N 1 0 290.407 2.228 20 70 CEIDRO Cc1ccccc1-c1noc(CN(C)[C@H](C[NH3+])C2CC2)n1 ZINC000160162661 540112953 /nfs/dbraw/zinc/11/29/53/540112953.db2.gz DUMHXCYIWLMBTD-CQSZACIVSA-N 1 0 286.379 2.214 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000160380835 540115767 /nfs/dbraw/zinc/11/57/67/540115767.db2.gz QLTVDBCJIVLZHR-ZDUSSCGKSA-N 1 0 288.391 2.283 20 70 CEIDRO CC(C)(C)c1ncc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000160760244 540122654 /nfs/dbraw/zinc/12/26/54/540122654.db2.gz XABODZBVXBNVRV-UWVGGRQHSA-N 1 0 281.425 2.440 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000160918692 540127573 /nfs/dbraw/zinc/12/75/73/540127573.db2.gz FKTCRYUIXODKHM-NXEZZACHSA-N 1 0 296.754 2.068 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2occc2Br)C1 ZINC000161026815 540130920 /nfs/dbraw/zinc/13/09/20/540130920.db2.gz IMJNXBYCNNTRMM-HTQZYQBOSA-N 1 0 287.157 2.042 20 70 CEIDRO CC(C)Oc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161255124 540135680 /nfs/dbraw/zinc/13/56/80/540135680.db2.gz AKOWYCBVACPFMR-STQMWFEESA-N 1 0 276.380 2.474 20 70 CEIDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000217437412 283477116 /nfs/dbraw/zinc/47/71/16/283477116.db2.gz PEILQICUBJQBMA-IMJJTQAJSA-N 1 0 272.392 2.350 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000160253272 283590175 /nfs/dbraw/zinc/59/01/75/283590175.db2.gz SWSCYSMHGWDEJM-VXGBXAGGSA-N 1 0 286.297 2.282 20 70 CEIDRO CCc1ccc([C@@H](COC)[NH2+]CCC(C)(C)O)o1 ZINC000159673934 366938952 /nfs/dbraw/zinc/93/89/52/366938952.db2.gz RJSMPCMYFVBAQL-GFCCVEGCSA-N 1 0 255.358 2.280 20 70 CEIDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCO)n1 ZINC000159726098 366942961 /nfs/dbraw/zinc/94/29/61/366942961.db2.gz BWTIKYKIICYWBY-AWEZNQCLSA-N 1 0 264.369 2.217 20 70 CEIDRO CC[C@H](C)[C@@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159750247 366944803 /nfs/dbraw/zinc/94/48/03/366944803.db2.gz PEEGACFSQGXKQT-QWHCGFSZSA-N 1 0 255.406 2.158 20 70 CEIDRO NC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000159750333 366944889 /nfs/dbraw/zinc/94/48/89/366944889.db2.gz QQBARLAQNKJROP-UHFFFAOYSA-N 1 0 298.390 2.164 20 70 CEIDRO C[C@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159374296 366906917 /nfs/dbraw/zinc/90/69/17/366906917.db2.gz HLGFFASEDYMUTE-PBHICJAKSA-N 1 0 272.392 2.392 20 70 CEIDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1 ZINC000159394649 366908714 /nfs/dbraw/zinc/90/87/14/366908714.db2.gz MLYCTXBUBIHMDG-CQSZACIVSA-N 1 0 296.436 2.376 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000159387303 366909167 /nfs/dbraw/zinc/90/91/67/366909167.db2.gz DKHYKXDUHATOAR-CABCVRRESA-N 1 0 294.439 2.355 20 70 CEIDRO COCCC1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159399268 366909507 /nfs/dbraw/zinc/90/95/07/366909507.db2.gz UPNHUPAVKPJIAE-AWEZNQCLSA-N 1 0 282.428 2.041 20 70 CEIDRO O=C(c1cc(F)c(F)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159496174 366919984 /nfs/dbraw/zinc/91/99/84/366919984.db2.gz BQMMNLSICNMKQY-AOOOYVTPSA-N 1 0 284.281 2.070 20 70 CEIDRO Cc1cc(Br)ccc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000159545462 366923693 /nfs/dbraw/zinc/92/36/93/366923693.db2.gz FWXFMPPVCCUTNQ-LBPRGKRZSA-N 1 0 297.196 2.126 20 70 CEIDRO CCCCSCCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000159555661 366925593 /nfs/dbraw/zinc/92/55/93/366925593.db2.gz UQRZITXRLBFERD-UHFFFAOYSA-N 1 0 272.458 2.462 20 70 CEIDRO Cc1ccc(C(=O)CC[N@H+](C)CCn2cccn2)cc1 ZINC000159617884 366932474 /nfs/dbraw/zinc/93/24/74/366932474.db2.gz YTLTUEQMCCBSTA-UHFFFAOYSA-N 1 0 271.364 2.396 20 70 CEIDRO Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000159613893 366933041 /nfs/dbraw/zinc/93/30/41/366933041.db2.gz LVUHNYQWRCZPHC-HOCLYGCPSA-N 1 0 290.407 2.335 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)C1(C)CC1)c1cccc(F)c1 ZINC000159640219 366934498 /nfs/dbraw/zinc/93/44/98/366934498.db2.gz RNGHKCIMGRLDJQ-ZDUSSCGKSA-N 1 0 264.344 2.345 20 70 CEIDRO COc1cccc([C@@H](CNC(=O)C2(C)CC2)[NH+](C)C)c1 ZINC000159647940 366935639 /nfs/dbraw/zinc/93/56/39/366935639.db2.gz BSHPCYAOUAFVPP-CQSZACIVSA-N 1 0 276.380 2.214 20 70 CEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCCCC1 ZINC000159668035 366937703 /nfs/dbraw/zinc/93/77/03/366937703.db2.gz NAOADKJRNUEIOO-KBPBESRZSA-N 1 0 250.386 2.263 20 70 CEIDRO CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159674871 366938648 /nfs/dbraw/zinc/93/86/48/366938648.db2.gz TXARPBDPKCHOCB-JYJNAYRXSA-N 1 0 298.471 2.410 20 70 CEIDRO c1cn(CCN2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000159782063 366947629 /nfs/dbraw/zinc/94/76/29/366947629.db2.gz UUROGSHOUQGQAI-UHFFFAOYSA-N 1 0 276.428 2.081 20 70 CEIDRO CCCC[N@H+](C)CCNC(=O)NCC1(C2CC2)CC1 ZINC000159838096 366953522 /nfs/dbraw/zinc/95/35/22/366953522.db2.gz QJZWYBTXLHQCQJ-UHFFFAOYSA-N 1 0 267.417 2.208 20 70 CEIDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000159925925 366960034 /nfs/dbraw/zinc/96/00/34/366960034.db2.gz LJMMEFLOTIWLQJ-DZGCQCFKSA-N 1 0 292.379 2.102 20 70 CEIDRO CCCCOc1ccc(C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000160033366 366967185 /nfs/dbraw/zinc/96/71/85/366967185.db2.gz QWEWAIPIOURLDV-UHFFFAOYSA-N 1 0 294.395 2.341 20 70 CEIDRO CC(C)([NH3+])CNC(=O)/C=C/c1nc2ccccc2s1 ZINC000160044687 366968964 /nfs/dbraw/zinc/96/89/64/366968964.db2.gz RXXZSGLXLXRGGJ-BQYQJAHWSA-N 1 0 275.377 2.163 20 70 CEIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000160131370 366976845 /nfs/dbraw/zinc/97/68/45/366976845.db2.gz DXBVAELPFUOUKR-PMPSAXMXSA-N 1 0 294.439 2.278 20 70 CEIDRO CS[C@H](C)CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000160251552 366988235 /nfs/dbraw/zinc/98/82/35/366988235.db2.gz JGUDGIWUCWVROA-CHWSQXEVSA-N 1 0 287.473 2.015 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160375485 367001120 /nfs/dbraw/zinc/00/11/20/367001120.db2.gz PKJYVQPOWNPANX-DZGCQCFKSA-N 1 0 288.391 2.153 20 70 CEIDRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160413200 367004239 /nfs/dbraw/zinc/00/42/39/367004239.db2.gz XVVOWBZFHNQOAK-AAEUAGOBSA-N 1 0 286.379 2.261 20 70 CEIDRO CC1(C)[C@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000160480955 367009621 /nfs/dbraw/zinc/00/96/21/367009621.db2.gz KJBHOXOIQMGTDK-GDZNZVCISA-N 1 0 294.439 2.168 20 70 CEIDRO CCCn1c(C)nnc1CN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000160494846 367010942 /nfs/dbraw/zinc/01/09/42/367010942.db2.gz CJQBGBRMQORLPX-OAHLLOKOSA-N 1 0 293.459 2.160 20 70 CEIDRO CC[C@H](COC)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160498532 367011306 /nfs/dbraw/zinc/01/13/06/367011306.db2.gz IMNPMAVSVXCJGX-QGZVFWFLSA-N 1 0 292.423 2.033 20 70 CEIDRO CC(C)S(=O)(=O)CCCN(C)CCOc1ccccc1 ZINC000160512751 367011548 /nfs/dbraw/zinc/01/15/48/367011548.db2.gz GTJSJDUPHVJSJI-UHFFFAOYSA-N 1 0 299.436 2.211 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)C[C@H]1OCCc2ccccc21 ZINC000160538009 367015328 /nfs/dbraw/zinc/01/53/28/367015328.db2.gz YJHKFZBGKWFZIZ-OAHLLOKOSA-N 1 0 290.407 2.324 20 70 CEIDRO CC1(C)[C@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000160547599 367015706 /nfs/dbraw/zinc/01/57/06/367015706.db2.gz QQWYSBKOIYMAMU-IIYDPXPESA-N 1 0 294.439 2.168 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC000160551985 367017290 /nfs/dbraw/zinc/01/72/90/367017290.db2.gz XCINNBWOOBOCIV-CYBMUJFWSA-N 1 0 292.427 2.383 20 70 CEIDRO CN(Cc1nncn1C)Cc1cccc(C(F)(F)F)c1 ZINC000160808822 367035804 /nfs/dbraw/zinc/03/58/04/367035804.db2.gz JZODHPSGKLFUDV-UHFFFAOYSA-N 1 0 284.285 2.466 20 70 CEIDRO COCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000160853363 367038767 /nfs/dbraw/zinc/03/87/67/367038767.db2.gz VYJXYGDFPYKQLJ-AWEZNQCLSA-N 1 0 284.444 2.143 20 70 CEIDRO CO[C@H]1CCN(Cc2cc(F)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000161156411 367062707 /nfs/dbraw/zinc/06/27/07/367062707.db2.gz OPLJMXDWWUZPRF-KBPBESRZSA-N 1 0 286.778 2.417 20 70 CEIDRO Cc1c(C(=O)N(C)CC[NH+]2CCCC2)cnn1CC(C)C ZINC000161366400 367080798 /nfs/dbraw/zinc/08/07/98/367080798.db2.gz NDHLUDCLLHYNHR-UHFFFAOYSA-N 1 0 292.427 2.015 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)C[NH2+]C)C12CCCCC2 ZINC000161179633 367065141 /nfs/dbraw/zinc/06/51/41/367065141.db2.gz SDERKQHFYIECMB-MELADBBJSA-N 1 0 282.428 2.086 20 70 CEIDRO CC[NH2+]CCNCc1ccc(Br)c(F)c1 ZINC000161317332 367076601 /nfs/dbraw/zinc/07/66/01/367076601.db2.gz DJGKBDRTOLZWGO-UHFFFAOYSA-N 1 0 275.165 2.287 20 70 CEIDRO CC[C@H](C(=O)NCCCSCC(C)C)[NH+](C)C ZINC000160699109 367028865 /nfs/dbraw/zinc/02/88/65/367028865.db2.gz ZPDLQHMATVMSCW-GFCCVEGCSA-N 1 0 260.447 2.222 20 70 CEIDRO c1cn(CC[N@@H+]2CCCN(c3ccccc3)CC2)cn1 ZINC000161443202 367086353 /nfs/dbraw/zinc/08/63/53/367086353.db2.gz LZTCFHCZDPDKSM-UHFFFAOYSA-N 1 0 270.380 2.095 20 70 CEIDRO Cc1nn(C)c2ncc(C[N@@H+]3CCCSCC3)cc12 ZINC000161490281 367090649 /nfs/dbraw/zinc/09/06/49/367090649.db2.gz RAFAPLPADGJOKW-UHFFFAOYSA-N 1 0 276.409 2.216 20 70 CEIDRO [NH3+][C@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161490848 367091131 /nfs/dbraw/zinc/09/11/31/367091131.db2.gz ROSOYDGGRCGZMG-VIFPVBQESA-N 1 0 273.149 2.121 20 70 CEIDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000161492646 367091186 /nfs/dbraw/zinc/09/11/86/367091186.db2.gz WCOUADITKNCGEN-NEPJUHHUSA-N 1 0 296.798 2.482 20 70 CEIDRO C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000161488035 367091258 /nfs/dbraw/zinc/09/12/58/367091258.db2.gz FTMIPEKABYJWKW-KYOSRNDESA-N 1 0 276.355 2.345 20 70 CEIDRO CC(C)S(=O)(=O)CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160477276 395061137 /nfs/dbraw/zinc/06/11/37/395061137.db2.gz UARLQSHYORUSIB-CHWSQXEVSA-N 1 0 261.431 2.178 20 70 CEIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1c(F)cccc1OC ZINC000161053366 400284393 /nfs/dbraw/zinc/28/43/93/400284393.db2.gz XRNTVCXOWPPKRS-BFVZDQMLSA-N 1 0 282.359 2.385 20 70 CEIDRO Cc1ccc(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000160151304 292146978 /nfs/dbraw/zinc/14/69/78/292146978.db2.gz IDBKXKCGRRPWEG-AWEZNQCLSA-N 1 0 295.814 2.256 20 70 CEIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C1(C)C ZINC000160502736 286240677 /nfs/dbraw/zinc/24/06/77/286240677.db2.gz LHBAFIYJLFWEOT-IJLUTSLNSA-N 1 0 270.417 2.022 20 70 CEIDRO CC(C)Cc1ncc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)s1 ZINC000159708875 162312823 /nfs/dbraw/zinc/31/28/23/162312823.db2.gz ZNZWVCTXLFOTAR-VXGBXAGGSA-N 1 0 295.452 2.427 20 70 CEIDRO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000159881295 162315421 /nfs/dbraw/zinc/31/54/21/162315421.db2.gz NCQGTFGFPIAKNU-IAQYHMDHSA-N 1 0 258.365 2.036 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1COc1ccccc1 ZINC000159846084 162315538 /nfs/dbraw/zinc/31/55/38/162315538.db2.gz SJAPISDFYUFGEP-HIFRSBDPSA-N 1 0 276.380 2.184 20 70 CEIDRO C[NH2+]C[C@H](C)CNc1ccncc1Br ZINC000159921603 162319363 /nfs/dbraw/zinc/31/93/63/162319363.db2.gz YPLYLAALDYBWNL-QMMMGPOBSA-N 1 0 258.163 2.112 20 70 CEIDRO CC[C@H]([NH3+])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160125700 261206050 /nfs/dbraw/zinc/20/60/50/261206050.db2.gz DEBDZRMWCVRWRW-JKSUJKDBSA-N 1 0 290.407 2.324 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159659126 312633135 /nfs/dbraw/zinc/63/31/35/312633135.db2.gz VYSITKCSOLBDRU-KBPBESRZSA-N 1 0 269.433 2.452 20 70 CEIDRO CCC(CC)(C[NH2+]Cc1ccoc1C(=O)OC)C(=O)OC ZINC000159663480 312633179 /nfs/dbraw/zinc/63/31/79/312633179.db2.gz MULQTHUGTXWNCX-UHFFFAOYSA-N 1 0 297.351 2.135 20 70 CEIDRO CC[NH+](CC)CC(=O)NCCCSCC(C)C ZINC000160765100 312641229 /nfs/dbraw/zinc/64/12/29/312641229.db2.gz RDSHPGSWAXJKKG-UHFFFAOYSA-N 1 0 260.447 2.224 20 70 CEIDRO C[C@@H](C[NH3+])NC(=O)c1cccc(Br)c1Cl ZINC000160410528 533805859 /nfs/dbraw/zinc/80/58/59/533805859.db2.gz AVXOFLBKJVWTEL-LURJTMIESA-N 1 0 291.576 2.180 20 70 CEIDRO CC(C)C[C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000161472998 519264950 /nfs/dbraw/zinc/26/49/50/519264950.db2.gz HXPPNTBJTXTAMF-ZFWWWQNUSA-N 1 0 252.402 2.271 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCCOCC(C)C)CC1 ZINC000161235581 519644979 /nfs/dbraw/zinc/64/49/79/519644979.db2.gz SNADWPXZUJQFQE-UHFFFAOYSA-N 1 0 270.417 2.086 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)on1 ZINC000161160904 522418046 /nfs/dbraw/zinc/41/80/46/522418046.db2.gz SDVAQJDTWTWURI-MFKMUULPSA-N 1 0 279.384 2.258 20 70 CEIDRO COC[C@H]([NH2+]CCc1cc(OC)ccc1OC)C1CC1 ZINC000161440506 522738850 /nfs/dbraw/zinc/73/88/50/522738850.db2.gz NMPRZRNMVXFCGU-HNNXBMFYSA-N 1 0 279.380 2.261 20 70 CEIDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783506 522856847 /nfs/dbraw/zinc/85/68/47/522856847.db2.gz KGLNMYJTJGQGJF-ZLKJLUDKSA-N 1 0 298.333 2.038 20 70 CEIDRO CCc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161330025 523908651 /nfs/dbraw/zinc/90/86/51/523908651.db2.gz DBGSWRMUDOXJOU-MRXNPFEDSA-N 1 0 286.419 2.392 20 70 CEIDRO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000161157240 524266849 /nfs/dbraw/zinc/26/68/49/524266849.db2.gz RUKIWPHPVVPQGY-BNOWGMLFSA-N 1 0 252.402 2.269 20 70 CEIDRO CSCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160371487 525465103 /nfs/dbraw/zinc/46/51/03/525465103.db2.gz RSOGRRSAGRFPJT-AWEZNQCLSA-N 1 0 299.484 2.399 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000161232087 525546828 /nfs/dbraw/zinc/54/68/28/525546828.db2.gz IMCFINSIPHLYLV-GHMZBOCLSA-N 1 0 260.447 2.398 20 70 CEIDRO Cc1ccc([C@H]2CN(C(=O)[C@@H]([NH3+])C(C)C)CCO2)c(C)c1 ZINC000161474875 526021601 /nfs/dbraw/zinc/02/16/01/526021601.db2.gz RMQMVVAIPRNVEP-CVEARBPZSA-N 1 0 290.407 2.187 20 70 CEIDRO c1nc2ccccn2c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000160561535 526610248 /nfs/dbraw/zinc/61/02/48/526610248.db2.gz YXBAILPSUNRJDY-OAHLLOKOSA-N 1 0 284.407 2.252 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)CC2 ZINC000160474117 527193951 /nfs/dbraw/zinc/19/39/51/527193951.db2.gz KFWHXLHCSBYHMT-GVJPBBDUSA-N 1 0 262.401 2.316 20 70 CEIDRO O=C(Cc1ccccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160562800 527286038 /nfs/dbraw/zinc/28/60/38/527286038.db2.gz LTYHOVJPPWZCDX-BETUJISGSA-N 1 0 278.783 2.235 20 70 CEIDRO Cc1ccnc(N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000161109698 722008040 /nfs/dbraw/zinc/00/80/40/722008040.db2.gz DPJRTFMQKYYCOQ-UHFFFAOYSA-N 1 0 282.391 2.150 20 70 CEIDRO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000217547488 539225199 /nfs/dbraw/zinc/22/51/99/539225199.db2.gz SXOMCMACBUEOQL-KKUMJFAQSA-N 1 0 255.402 2.427 20 70 CEIDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cccc2c1NCC2 ZINC000159435377 282261212 /nfs/dbraw/zinc/26/12/12/282261212.db2.gz MDJUPJSPFQRHPO-UHFFFAOYSA-N 1 0 270.380 2.295 20 70 CEIDRO CCCN(CC1CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160641675 344460313 /nfs/dbraw/zinc/46/03/13/344460313.db2.gz PNNVEMICORUHHA-HNNXBMFYSA-N 1 0 279.428 2.302 20 70 CEIDRO CC1(C)CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160727247 344461254 /nfs/dbraw/zinc/46/12/54/344461254.db2.gz KIMUFMXJVQWKIT-CQSZACIVSA-N 1 0 279.428 2.302 20 70 CEIDRO CCOc1ccc(CC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159459174 188426757 /nfs/dbraw/zinc/42/67/57/188426757.db2.gz ZFJBDYMUCBBMJO-UHFFFAOYSA-N 1 0 290.407 2.406 20 70 CEIDRO C[C@H](C(=O)N1CCC[C@H]1C[NH3+])c1ccc(Cl)s1 ZINC000160184909 188458765 /nfs/dbraw/zinc/45/87/65/188458765.db2.gz VHSWZBMBOBIBCY-IUCAKERBSA-N 1 0 272.801 2.455 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccc(Cl)cc1 ZINC000160282043 188463875 /nfs/dbraw/zinc/46/38/75/188463875.db2.gz FWDLKZPTGBGAFM-LLVKDONJSA-N 1 0 284.812 2.382 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160877770 540126501 /nfs/dbraw/zinc/12/65/01/540126501.db2.gz PHFVDSAIMSETDK-QWHCGFSZSA-N 1 0 285.347 2.341 20 70 CEIDRO C[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCOCC1 ZINC000160827060 540124595 /nfs/dbraw/zinc/12/45/95/540124595.db2.gz SREMOHYVGRVPIX-QMTHXVAHSA-N 1 0 296.798 2.271 20 70 CEIDRO Cc1ccccc1SCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160961111 540128182 /nfs/dbraw/zinc/12/81/82/540128182.db2.gz RZTZXNJXSYZFJW-OLZOCXBDSA-N 1 0 278.421 2.473 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000161037320 540131703 /nfs/dbraw/zinc/13/17/03/540131703.db2.gz SAAUZORQISVUDS-KBPBESRZSA-N 1 0 276.355 2.243 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000161071044 540132376 /nfs/dbraw/zinc/13/23/76/540132376.db2.gz ZLJNHBIDBHZICV-CHWSQXEVSA-N 1 0 258.365 2.175 20 70 CEIDRO c1ncc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159462591 540409288 /nfs/dbraw/zinc/40/92/88/540409288.db2.gz FYUKZUPSKBINHP-TUAOUCFPSA-N 1 0 250.367 2.190 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)C[C@H](C)c1ccncc1 ZINC000159781764 540431030 /nfs/dbraw/zinc/43/10/30/540431030.db2.gz OMJWROBDYNTKEU-ZDUSSCGKSA-N 1 0 263.385 2.032 20 70 CEIDRO C[C@H](CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccncc1 ZINC000161105167 540725769 /nfs/dbraw/zinc/72/57/69/540725769.db2.gz WFPJEGLGOSNXFF-UMVBOHGHSA-N 1 0 287.407 2.317 20 70 CEIDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C)(O)CC2)o1 ZINC000161259669 540761110 /nfs/dbraw/zinc/76/11/10/540761110.db2.gz JYJISZAMLXJDQP-UHFFFAOYSA-N 1 0 294.395 2.108 20 70 CEIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000159685546 366939172 /nfs/dbraw/zinc/93/91/72/366939172.db2.gz FPEFBYAVIIVFNA-SDDRHHMPSA-N 1 0 264.394 2.205 20 70 CEIDRO CCCn1c(C)nnc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000159689072 366940118 /nfs/dbraw/zinc/94/01/18/366940118.db2.gz FLSFWJRXUIRBLY-OAHLLOKOSA-N 1 0 293.459 2.303 20 70 CEIDRO Cc1cccc(N2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000159704911 366941611 /nfs/dbraw/zinc/94/16/11/366941611.db2.gz QOGDSQGGGNLQJW-UHFFFAOYSA-N 1 0 270.380 2.014 20 70 CEIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159729451 366943391 /nfs/dbraw/zinc/94/33/91/366943391.db2.gz SCNLZMJOQXBCNA-SJLPKXTDSA-N 1 0 294.398 2.403 20 70 CEIDRO CCn1nc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c2ccccc21 ZINC000159451617 366915305 /nfs/dbraw/zinc/91/53/05/366915305.db2.gz OFFYIFWADQIWEG-WBMJQRKESA-N 1 0 273.380 2.259 20 70 CEIDRO COC(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000159466789 366916729 /nfs/dbraw/zinc/91/67/29/366916729.db2.gz YWDWRAIMZSMSPU-SECBINFHSA-N 1 0 296.754 2.207 20 70 CEIDRO CCc1nnc(CN(CCc2nccs2)C(C)C)[nH]1 ZINC000159509709 366920515 /nfs/dbraw/zinc/92/05/15/366920515.db2.gz FXVFLUREJXSZLM-UHFFFAOYSA-N 1 0 279.413 2.277 20 70 CEIDRO COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1F ZINC000159757019 366946325 /nfs/dbraw/zinc/94/63/25/366946325.db2.gz MMLHYGDPRVEBDQ-UHFFFAOYSA-N 1 0 263.316 2.166 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159558541 366925904 /nfs/dbraw/zinc/92/59/04/366925904.db2.gz DKEYHRIUZHWYMS-GXSJLCMTSA-N 1 0 252.383 2.142 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CC(C)C ZINC000159597476 366931607 /nfs/dbraw/zinc/93/16/07/366931607.db2.gz SYKSOLDZQJACQG-STQMWFEESA-N 1 0 257.422 2.451 20 70 CEIDRO COc1ccccc1/C=C/C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159604974 366931611 /nfs/dbraw/zinc/93/16/11/366931611.db2.gz GJFXUDWGRDZNSS-KSLFURFDSA-N 1 0 288.391 2.294 20 70 CEIDRO CN(Cc1cccc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000159669296 366936867 /nfs/dbraw/zinc/93/68/67/366936867.db2.gz NMCLFOIBWYLREX-OAHLLOKOSA-N 1 0 255.365 2.404 20 70 CEIDRO CC[C@@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159810436 366949645 /nfs/dbraw/zinc/94/96/45/366949645.db2.gz DSPNUWXUFAEGIJ-DGCLKSJQSA-N 1 0 266.772 2.393 20 70 CEIDRO CN(CCC(=O)Nc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000160067039 366969750 /nfs/dbraw/zinc/96/97/50/366969750.db2.gz DOHORVSJSDUHTO-AWEZNQCLSA-N 1 0 295.814 2.338 20 70 CEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(Cl)c1F ZINC000159897123 366958322 /nfs/dbraw/zinc/95/83/22/366958322.db2.gz IGYPGOPMQUGYSI-JTQLQIEISA-N 1 0 299.777 2.478 20 70 CEIDRO CCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160087087 366971360 /nfs/dbraw/zinc/97/13/60/366971360.db2.gz HAFFHJBFNVPPNW-DZGCQCFKSA-N 1 0 275.396 2.311 20 70 CEIDRO CC(C)([NH3+])CNC(=O)C1(c2ccccc2)CCCC1 ZINC000160079970 366971514 /nfs/dbraw/zinc/97/15/14/366971514.db2.gz URIUNNTUSRKLIU-UHFFFAOYSA-N 1 0 260.381 2.352 20 70 CEIDRO CN(Cc1csc(-c2ccccn2)n1)[C@@H](C[NH3+])C1CC1 ZINC000160148519 366976637 /nfs/dbraw/zinc/97/66/37/366976637.db2.gz NSUCQDGIWWHNNB-AWEZNQCLSA-N 1 0 288.420 2.374 20 70 CEIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)CCCCCC[NH3+] ZINC000160209851 366982482 /nfs/dbraw/zinc/98/24/82/366982482.db2.gz QGOOMJCOPQVBIK-LLVKDONJSA-N 1 0 281.400 2.248 20 70 CEIDRO CO[C@@]1(C[NH2+][C@H]2CCOC3(CCCCC3)C2)CCOC1 ZINC000160304571 366992398 /nfs/dbraw/zinc/99/23/98/366992398.db2.gz WPJHWNBSXIMTSG-GOEBONIOSA-N 1 0 283.412 2.263 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccsc1 ZINC000160639828 367024011 /nfs/dbraw/zinc/02/40/11/367024011.db2.gz LTWFJJRYHGORQY-WDMOLILDSA-N 1 0 280.393 2.219 20 70 CEIDRO CCC[N@H+](CC(OC)OC)C[C@@H]1COc2ccccc2O1 ZINC000160531574 367013773 /nfs/dbraw/zinc/01/37/73/367013773.db2.gz HULQHXKJZPPJTI-CYBMUJFWSA-N 1 0 295.379 2.157 20 70 CEIDRO CN(Cc1cnnn1C)Cc1ccc(Cl)cc1 ZINC000160805765 367035432 /nfs/dbraw/zinc/03/54/32/367035432.db2.gz TYZRVDLDPWAGGA-UHFFFAOYSA-N 1 0 250.733 2.101 20 70 CEIDRO OC1(C[NH2+]Cc2ccc(Cl)cc2F)CCOCC1 ZINC000160864823 367039998 /nfs/dbraw/zinc/03/99/98/367039998.db2.gz PGWIIMZKSXBYAC-UHFFFAOYSA-N 1 0 273.735 2.110 20 70 CEIDRO CC1CCC(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000161038803 367050490 /nfs/dbraw/zinc/05/04/90/367050490.db2.gz IMQKLOIMEWBGFE-GPANFISMSA-N 1 0 294.439 2.136 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000161045394 367051295 /nfs/dbraw/zinc/05/12/95/367051295.db2.gz IERQDIZGOLEQPV-NRUUGDAUSA-N 1 0 250.317 2.082 20 70 CEIDRO COCCC1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000161035832 367051365 /nfs/dbraw/zinc/05/13/65/367051365.db2.gz UNWVDOTUWFPYOW-CQSZACIVSA-N 1 0 282.428 2.040 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161069399 367053214 /nfs/dbraw/zinc/05/32/14/367053214.db2.gz UPJPWZCYITYGFL-MJBXVCDLSA-N 1 0 250.386 2.214 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCc1ccc(OC)cc1 ZINC000161161560 367064362 /nfs/dbraw/zinc/06/43/62/367064362.db2.gz BOGBGCZSFZANJL-OAHLLOKOSA-N 1 0 290.407 2.228 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCCCN1CC ZINC000161203317 367068889 /nfs/dbraw/zinc/06/88/89/367068889.db2.gz YOWGROPYTHTHOZ-LSDHHAIUSA-N 1 0 283.460 2.097 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247594 367071764 /nfs/dbraw/zinc/07/17/64/367071764.db2.gz DXMDUMIERUDBIF-OSMZGAPFSA-N 1 0 264.344 2.267 20 70 CEIDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1C)c1ccco1 ZINC000161267665 367073169 /nfs/dbraw/zinc/07/31/69/367073169.db2.gz HKWVLXGNUVXMKG-HNNXBMFYSA-N 1 0 290.411 2.494 20 70 CEIDRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1(CC)CC ZINC000161294019 367076092 /nfs/dbraw/zinc/07/60/92/367076092.db2.gz XBJIEXZJYRQABK-KGLIPLIRSA-N 1 0 297.443 2.103 20 70 CEIDRO C[C@H](CC[NH2+]CCNC(=O)C1CC1)c1ccccc1 ZINC000160683603 367027424 /nfs/dbraw/zinc/02/74/24/367027424.db2.gz IUXPTUBHGYJQAM-CYBMUJFWSA-N 1 0 260.381 2.296 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccoc1 ZINC000160704976 367027869 /nfs/dbraw/zinc/02/78/69/367027869.db2.gz IQPOELWHVWRTCA-WCBMZHEXSA-N 1 0 276.258 2.093 20 70 CEIDRO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cn3ccccc3n1)CC2 ZINC000160741461 367031567 /nfs/dbraw/zinc/03/15/67/367031567.db2.gz FFMQJYRIBPPOHU-RHSMWYFYSA-N 1 0 285.391 2.461 20 70 CEIDRO CC[C@H](C(=O)NCc1ccccc1OC(F)F)[NH+](C)C ZINC000161404165 367083142 /nfs/dbraw/zinc/08/31/42/367083142.db2.gz JLNWCLARFNPNQA-LLVKDONJSA-N 1 0 286.322 2.244 20 70 CEIDRO [NH3+][C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000161399962 367083675 /nfs/dbraw/zinc/08/36/75/367083675.db2.gz FRFCGYQJDRBCFD-LLVKDONJSA-N 1 0 288.269 2.052 20 70 CEIDRO COc1ccc(N(C)C(=O)[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000161441031 367086499 /nfs/dbraw/zinc/08/64/99/367086499.db2.gz VEQDZGSFWQSECU-LBPRGKRZSA-N 1 0 282.771 2.454 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCSC2(CCCCC2)C1 ZINC000161452557 367087514 /nfs/dbraw/zinc/08/75/14/367087514.db2.gz QPFBWGDORPMWHR-CYBMUJFWSA-N 1 0 282.453 2.407 20 70 CEIDRO CC(C)c1ncc(C(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000161480335 367090186 /nfs/dbraw/zinc/09/01/86/367090186.db2.gz BQZSCIKWTXWLOR-NSHDSACASA-N 1 0 281.425 2.433 20 70 CEIDRO COC(=O)c1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000217614579 370198727 /nfs/dbraw/zinc/19/87/27/370198727.db2.gz GONVZDHTQUKUEX-ZFWWWQNUSA-N 1 0 288.391 2.142 20 70 CEIDRO COC(C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)OC ZINC000161023861 284655381 /nfs/dbraw/zinc/65/53/81/284655381.db2.gz OGSHDAHTSNTVQF-MRXNPFEDSA-N 1 0 297.370 2.190 20 70 CEIDRO CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161211158 249319950 /nfs/dbraw/zinc/31/99/50/249319950.db2.gz NHUMMSGCWXZYRP-AWEZNQCLSA-N 1 0 284.444 2.164 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000160796913 533030463 /nfs/dbraw/zinc/03/04/63/533030463.db2.gz WJHVLBCIJVRVFO-ZDUSSCGKSA-N 1 0 296.798 2.319 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000160680269 533031074 /nfs/dbraw/zinc/03/10/74/533031074.db2.gz BJDWUOYYVUUOFR-JTQLQIEISA-N 1 0 272.801 2.154 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000160934353 395061896 /nfs/dbraw/zinc/06/18/96/395061896.db2.gz NATCTUZFSOKEER-LBPRGKRZSA-N 1 0 264.369 2.407 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc2c1OCO2 ZINC000217388928 153296593 /nfs/dbraw/zinc/29/65/93/153296593.db2.gz UERXVZBBNTXYIS-LBPRGKRZSA-N 1 0 264.369 2.235 20 70 CEIDRO CCS[C@H]1CCCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000159767029 162311945 /nfs/dbraw/zinc/31/19/45/162311945.db2.gz JROAZFWNNXQALH-RYUDHWBXSA-N 1 0 258.431 2.104 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000159771805 162313765 /nfs/dbraw/zinc/31/37/65/162313765.db2.gz OTQCUVHACPCIID-AWEZNQCLSA-N 1 0 265.401 2.080 20 70 CEIDRO COC1(C(=O)N[C@H](C)CCC(C)(C)C)CC[NH2+]CC1 ZINC000159773558 162314259 /nfs/dbraw/zinc/31/42/59/162314259.db2.gz KXMBAXDWBZAZPJ-GFCCVEGCSA-N 1 0 270.417 2.086 20 70 CEIDRO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000159820086 162316566 /nfs/dbraw/zinc/31/65/66/162316566.db2.gz CCRWPJAPAZMTHW-OAHLLOKOSA-N 1 0 256.353 2.461 20 70 CEIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1COc1ccccc1 ZINC000159846688 162316993 /nfs/dbraw/zinc/31/69/93/162316993.db2.gz PZSPCVBGBXQDMH-HUUCEWRRSA-N 1 0 288.391 2.056 20 70 CEIDRO CCCOc1cccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159822956 162317221 /nfs/dbraw/zinc/31/72/21/162317221.db2.gz GCMCMPJLFZANCZ-HNNXBMFYSA-N 1 0 276.380 2.285 20 70 CEIDRO COc1cc(CN2CCCC[C@H]2[C@H](C)[NH3+])cc2c1OCO2 ZINC000159980579 162319861 /nfs/dbraw/zinc/31/98/61/162319861.db2.gz AGFYDPQVMWRJQW-AAEUAGOBSA-N 1 0 292.379 2.126 20 70 CEIDRO COc1cc(CN(C)CC[C@@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000159994247 162320539 /nfs/dbraw/zinc/32/05/39/162320539.db2.gz FKDBKYFKLDPEAI-CYBMUJFWSA-N 1 0 294.395 2.229 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](CC)c1cnn(C)c1 ZINC000160063455 162321777 /nfs/dbraw/zinc/32/17/77/162321777.db2.gz CTHWXBSGRRXUAC-JSGCOSHPSA-N 1 0 252.406 2.191 20 70 CEIDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000160068329 162322484 /nfs/dbraw/zinc/32/24/84/162322484.db2.gz HXFNAEKCIZYTIR-WDEREUQCSA-N 1 0 271.307 2.358 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000161175325 162327122 /nfs/dbraw/zinc/32/71/22/162327122.db2.gz ONYVYGNRNGHYQJ-ZIAGYGMSSA-N 1 0 288.391 2.153 20 70 CEIDRO CCCCCOCC(=O)N1CCC[N@H+](CCC)CC1 ZINC000160375941 162327672 /nfs/dbraw/zinc/32/76/72/162327672.db2.gz STHVESGJHGKJTH-UHFFFAOYSA-N 1 0 270.417 2.138 20 70 CEIDRO [NH3+][C@H]1CCN(C(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC000216659072 414843057 /nfs/dbraw/zinc/84/30/57/414843057.db2.gz YYVNVAJVEWCXCT-BPHCLYMKSA-N 1 0 262.397 2.008 20 70 CEIDRO COc1cc(C(=O)NCCC[NH3+])ccc1OCCC(C)C ZINC000160133840 264238728 /nfs/dbraw/zinc/23/87/28/264238728.db2.gz KKERNDULPDTVOV-UHFFFAOYSA-N 1 0 294.395 2.199 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@H](C)c1c(C)n[nH]c1C ZINC000159972978 276111590 /nfs/dbraw/zinc/11/15/90/276111590.db2.gz DQXWSBYJAHAWOS-RYUDHWBXSA-N 1 0 294.443 2.367 20 70 CEIDRO CCS[C@H]1CCCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000159766595 276399675 /nfs/dbraw/zinc/39/96/75/276399675.db2.gz NRXKXSIJMUXCSY-STQMWFEESA-N 1 0 270.442 2.120 20 70 CEIDRO CC(C)C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000161475472 277449058 /nfs/dbraw/zinc/44/90/58/277449058.db2.gz VIHCFDJAAYPDFC-KBPBESRZSA-N 1 0 252.402 2.413 20 70 CEIDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(-n2cnnn2)cc1 ZINC000160144371 278378253 /nfs/dbraw/zinc/37/82/53/278378253.db2.gz ZPAFLRIDTHBEPJ-GHMZBOCLSA-N 1 0 257.341 2.111 20 70 CEIDRO Cc1ccccc1O[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000161173719 278952778 /nfs/dbraw/zinc/95/27/78/278952778.db2.gz WEGRGYUXAIOKRM-UONOGXRCSA-N 1 0 276.380 2.021 20 70 CEIDRO CC[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000161055434 280095929 /nfs/dbraw/zinc/09/59/29/280095929.db2.gz UJUBUZRNVTUHOJ-LSDHHAIUSA-N 1 0 254.418 2.362 20 70 CEIDRO CCc1ncnc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000217993656 280209805 /nfs/dbraw/zinc/20/98/05/280209805.db2.gz DQYJDDDGGADKQA-LLVKDONJSA-N 1 0 266.364 2.320 20 70 CEIDRO COCCC1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000159565573 297429193 /nfs/dbraw/zinc/42/91/93/297429193.db2.gz LXTUVTKWZLRIRE-UHFFFAOYSA-N 1 0 296.455 2.384 20 70 CEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159627922 297429507 /nfs/dbraw/zinc/42/95/07/297429507.db2.gz BZQGJLSWHGFUAV-NEPJUHHUSA-N 1 0 258.431 2.119 20 70 CEIDRO CS[C@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000160528413 297437756 /nfs/dbraw/zinc/43/77/56/297437756.db2.gz MACGJNNTLWKQSF-QWHCGFSZSA-N 1 0 272.458 2.366 20 70 CEIDRO CC[C@H](C(=O)Nc1ccc(SC)nc1)[NH+](C)C ZINC000161278878 297443613 /nfs/dbraw/zinc/44/36/13/297443613.db2.gz YJDGKDPMSLQVHZ-SNVBAGLBSA-N 1 0 253.371 2.082 20 70 CEIDRO CS[C@H](C)CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000161380725 297444623 /nfs/dbraw/zinc/44/46/23/297444623.db2.gz GGKXNGCFUNEEMQ-CHWSQXEVSA-N 1 0 272.458 2.365 20 70 CEIDRO c1nc2ccccn2c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160428917 312638215 /nfs/dbraw/zinc/63/82/15/312638215.db2.gz LSFLBUBVJHVFBH-HNNXBMFYSA-N 1 0 284.407 2.395 20 70 CEIDRO CC(C)C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000161267653 519570250 /nfs/dbraw/zinc/57/02/50/519570250.db2.gz OWBBNKZAASQHMO-UHFFFAOYSA-N 1 0 286.419 2.377 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000161289926 519644923 /nfs/dbraw/zinc/64/49/23/519644923.db2.gz KILKVWLARUKMHH-VBJONLRCSA-N 1 0 295.471 2.144 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCc2sc(C)nc2C)CC1 ZINC000161027416 519645439 /nfs/dbraw/zinc/64/54/39/519645439.db2.gz TYSDRWQBMFJXQW-UHFFFAOYSA-N 1 0 295.452 2.339 20 70 CEIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000160423739 519750640 /nfs/dbraw/zinc/75/06/40/519750640.db2.gz XEVWHHTYOIAZAK-GFCCVEGCSA-N 1 0 275.396 2.217 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000160574623 519903059 /nfs/dbraw/zinc/90/30/59/519903059.db2.gz MHSPHGXAVPXSAR-BBRMVZONSA-N 1 0 290.407 2.341 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)on1 ZINC000161161017 522030111 /nfs/dbraw/zinc/03/01/11/522030111.db2.gz SDVAQJDTWTWURI-GWCFXTLKSA-N 1 0 279.384 2.258 20 70 CEIDRO COc1ccc(CC[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000161057416 523940597 /nfs/dbraw/zinc/94/05/97/523940597.db2.gz GXCKMELOTFHSSD-UHFFFAOYSA-N 1 0 259.353 2.103 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160617952 524735364 /nfs/dbraw/zinc/73/53/64/524735364.db2.gz MQHMBUHCQRTADV-YUELXQCFSA-N 1 0 290.382 2.357 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000161303649 524822974 /nfs/dbraw/zinc/82/29/74/524822974.db2.gz IGXRMQIDKCYHNQ-YOEHRIQHSA-N 1 0 298.386 2.408 20 70 CEIDRO COc1cccc(CCC[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000160526938 525885748 /nfs/dbraw/zinc/88/57/48/525885748.db2.gz JERPNCBHMLJENW-HIFRSBDPSA-N 1 0 290.407 2.214 20 70 CEIDRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160383743 527222203 /nfs/dbraw/zinc/22/22/03/527222203.db2.gz ADVOVXIRKTZXLA-OKILXGFUSA-N 1 0 278.783 2.235 20 70 CEIDRO CC(C)OC[C@H](O)C[N@H+](CCc1nccs1)C(C)C ZINC000159874648 528028301 /nfs/dbraw/zinc/02/83/01/528028301.db2.gz GSGKBNJCBYGFNH-CYBMUJFWSA-N 1 0 286.441 2.182 20 70 CEIDRO CCN(c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000160304786 528929296 /nfs/dbraw/zinc/92/92/96/528929296.db2.gz VQWIXFXXZYUCFW-CQSZACIVSA-N 1 0 275.396 2.095 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccs1)CC2 ZINC000160368856 282117630 /nfs/dbraw/zinc/11/76/30/282117630.db2.gz JHKCXZPJBASKNC-ONGXEEELSA-N 1 0 262.382 2.314 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3ccccc31)CC2 ZINC000160371803 282126747 /nfs/dbraw/zinc/12/67/47/282126747.db2.gz FQJLVCZGIJWIOG-UKRRQHHQSA-N 1 0 268.364 2.178 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159513509 344455046 /nfs/dbraw/zinc/45/50/46/344455046.db2.gz LVLIQGJOPMIOKC-ZIAGYGMSSA-N 1 0 292.398 2.462 20 70 CEIDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000160136702 344457757 /nfs/dbraw/zinc/45/77/57/344457757.db2.gz QAMLWDLRSIWDFX-PWSUYJOCSA-N 1 0 252.383 2.062 20 70 CEIDRO CC(C)CCSCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160833830 344461777 /nfs/dbraw/zinc/46/17/77/344461777.db2.gz AEYHXUYWNUXRSO-RYUDHWBXSA-N 1 0 258.431 2.152 20 70 CEIDRO CCc1ncnc(NCC2CC[NH+](CC)CC2)c1F ZINC000217987847 539773719 /nfs/dbraw/zinc/77/37/19/539773719.db2.gz PUOQSRUGIUGFLL-UHFFFAOYSA-N 1 0 266.364 2.322 20 70 CEIDRO COc1cc(C[NH2+]C2(C)CCC2)cc2c1OCCO2 ZINC000159920482 188447699 /nfs/dbraw/zinc/44/76/99/188447699.db2.gz GYLYYFQXIYNSSC-UHFFFAOYSA-N 1 0 263.337 2.499 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCO1)c1cccs1 ZINC000160992934 188502285 /nfs/dbraw/zinc/50/22/85/188502285.db2.gz YUNHJNQBWXJZDJ-NEPJUHHUSA-N 1 0 282.409 2.036 20 70 CEIDRO C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[NH2+]CC1 ZINC000160823795 188493572 /nfs/dbraw/zinc/49/35/72/188493572.db2.gz FGJHVZRHDBZWTP-CYBMUJFWSA-N 1 0 278.371 2.216 20 70 CEIDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160959319 188500272 /nfs/dbraw/zinc/50/02/72/188500272.db2.gz XVEKDWBLFGUPOP-CHWSQXEVSA-N 1 0 278.396 2.336 20 70 CEIDRO C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)Sc1ccccc1 ZINC000161117076 188508688 /nfs/dbraw/zinc/50/86/88/188508688.db2.gz PWMMXIGWEHMPNO-IUODEOHRSA-N 1 0 278.421 2.283 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000161251441 188518479 /nfs/dbraw/zinc/51/84/79/188518479.db2.gz QPUGUZZNGYFFPJ-HNNXBMFYSA-N 1 0 298.390 2.005 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161440463 188527602 /nfs/dbraw/zinc/52/76/02/188527602.db2.gz GFWLOSBUHCBQFJ-UONOGXRCSA-N 1 0 288.391 2.011 20 70 CEIDRO CCCn1nccc1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000160084687 540111624 /nfs/dbraw/zinc/11/16/24/540111624.db2.gz BZBBIHRFPFPQCV-AWEZNQCLSA-N 1 0 264.417 2.257 20 70 CEIDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000160199393 540113450 /nfs/dbraw/zinc/11/34/50/540113450.db2.gz VWDMXMJQYRTOGQ-LBPRGKRZSA-N 1 0 287.787 2.094 20 70 CEIDRO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000160803125 540123648 /nfs/dbraw/zinc/12/36/48/540123648.db2.gz RYJRRUHVEKOWAC-KGLIPLIRSA-N 1 0 278.371 2.489 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccccc2F)C1 ZINC000161133454 540133397 /nfs/dbraw/zinc/13/33/97/540133397.db2.gz YWTPOXOFBWIOGS-OLZOCXBDSA-N 1 0 264.344 2.144 20 70 CEIDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CCO1 ZINC000159977383 540441424 /nfs/dbraw/zinc/44/14/24/540441424.db2.gz VCCDGWKLMMTKFV-DGCLKSJQSA-N 1 0 276.380 2.300 20 70 CEIDRO C[C@@H](CNCc1cnc2ccccc2n1)[N@H+](C)C1CC1 ZINC000217620309 540448995 /nfs/dbraw/zinc/44/89/95/540448995.db2.gz FSORKNOLMUPZDZ-LBPRGKRZSA-N 1 0 270.380 2.202 20 70 CEIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160600695 540624805 /nfs/dbraw/zinc/62/48/05/540624805.db2.gz WLZZLWYJKLQLQQ-JTQLQIEISA-N 1 0 276.380 2.338 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccccc1Cl ZINC000160267598 283470949 /nfs/dbraw/zinc/47/09/49/283470949.db2.gz CSVBLIDWGUJCCZ-JTQLQIEISA-N 1 0 284.812 2.382 20 70 CEIDRO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160850399 540670394 /nfs/dbraw/zinc/67/03/94/540670394.db2.gz POCNASAPULMVKX-YGRLFVJLSA-N 1 0 296.798 2.370 20 70 CEIDRO C[C@H](C1CC1)[N@H+](CCCCS(C)(=O)=O)C1CC1 ZINC000161408878 540817013 /nfs/dbraw/zinc/81/70/13/540817013.db2.gz GLZFTZCRARQKSZ-LLVKDONJSA-N 1 0 259.415 2.074 20 70 CEIDRO CCc1ncnc(NCCC2CC[NH+](C)CC2)c1F ZINC000218000163 189712788 /nfs/dbraw/zinc/71/27/88/189712788.db2.gz SCRPSNXKFFNUCI-UHFFFAOYSA-N 1 0 266.364 2.322 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159724235 366943232 /nfs/dbraw/zinc/94/32/32/366943232.db2.gz KDZGNNJRSBJNQY-KKUMJFAQSA-N 1 0 260.381 2.422 20 70 CEIDRO CCc1nc2c(s1)[C@H]([NH2+]CCN(C)CCOC)CCC2 ZINC000159367237 366906455 /nfs/dbraw/zinc/90/64/55/366906455.db2.gz YAAIXLVZYHHDFI-GFCCVEGCSA-N 1 0 297.468 2.251 20 70 CEIDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C)nc(OC)c2C)C1 ZINC000159412878 366910309 /nfs/dbraw/zinc/91/03/09/366910309.db2.gz QTMQAJAPIWBWKY-AWEZNQCLSA-N 1 0 292.427 2.270 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000159507963 366921366 /nfs/dbraw/zinc/92/13/66/366921366.db2.gz WYEOZMDONQFGCF-CQSZACIVSA-N 1 0 275.396 2.485 20 70 CEIDRO CCOC(CC[NH2+]Cc1cccc2c1OCO2)OCC ZINC000159538345 366924098 /nfs/dbraw/zinc/92/40/98/366924098.db2.gz WNEDVKVMKSXQHS-UHFFFAOYSA-N 1 0 281.352 2.294 20 70 CEIDRO CC(C)[N@H+](C[C@@H](C)O)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159548691 366925958 /nfs/dbraw/zinc/92/59/58/366925958.db2.gz CYRWLKLUGWSPCD-CQSZACIVSA-N 1 0 298.471 2.362 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159581907 366927995 /nfs/dbraw/zinc/92/79/95/366927995.db2.gz JSXQLKMEPVDSKT-SWLSCSKDSA-N 1 0 283.375 2.321 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)CC(C)C ZINC000159597619 366931408 /nfs/dbraw/zinc/93/14/08/366931408.db2.gz SYKSOLDZQJACQG-QWHCGFSZSA-N 1 0 257.422 2.451 20 70 CEIDRO CC(C)([NH2+]CCN1C(=O)CCC1=O)c1ccc(Cl)cc1 ZINC000159626460 366932718 /nfs/dbraw/zinc/93/27/18/366932718.db2.gz BTRPZVPXPNOCHO-UHFFFAOYSA-N 1 0 294.782 2.314 20 70 CEIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159768401 366947079 /nfs/dbraw/zinc/94/70/79/366947079.db2.gz NGVXXWQDBNWYOR-ZDUSSCGKSA-N 1 0 279.428 2.208 20 70 CEIDRO Cc1cccc(OCC[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159666391 366938010 /nfs/dbraw/zinc/93/80/10/366938010.db2.gz FBZXVEWUJJIITI-ZBFHGGJFSA-N 1 0 263.381 2.467 20 70 CEIDRO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1(C)C ZINC000159770254 366947104 /nfs/dbraw/zinc/94/71/04/366947104.db2.gz LAGJMOOIBCAAPF-KGLIPLIRSA-N 1 0 297.443 2.103 20 70 CEIDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1(C)CCC1 ZINC000159828766 366951993 /nfs/dbraw/zinc/95/19/93/366951993.db2.gz LSJIJKQCQHRGMQ-OAHLLOKOSA-N 1 0 289.423 2.401 20 70 CEIDRO CN(C(=O)[C@@H]1CSc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159852033 366952628 /nfs/dbraw/zinc/95/26/28/366952628.db2.gz RFTOEUJFFFFDHA-OLZOCXBDSA-N 1 0 276.405 2.072 20 70 CEIDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(=O)N(C)C ZINC000159891739 366956980 /nfs/dbraw/zinc/95/69/80/366956980.db2.gz MXPYVLQTUQQORZ-DHZHZOJOSA-N 1 0 266.772 2.421 20 70 CEIDRO COC(=O)CCC[N@H+](CCc1nccs1)C(C)C ZINC000159858552 366955104 /nfs/dbraw/zinc/95/51/04/366955104.db2.gz ISYFKUHGTLRFJM-UHFFFAOYSA-N 1 0 270.398 2.349 20 70 CEIDRO CCC[N@H+](CC)CCNC(=O)c1ccc(N(C)C)cc1F ZINC000159913974 366958176 /nfs/dbraw/zinc/95/81/76/366958176.db2.gz IHYMTZGKXCDQLK-UHFFFAOYSA-N 1 0 295.402 2.353 20 70 CEIDRO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159973290 366962029 /nfs/dbraw/zinc/96/20/29/366962029.db2.gz LUHKOAYYUMUAOH-KGLIPLIRSA-N 1 0 267.417 2.302 20 70 CEIDRO [NH3+]CCCNC(=O)CCCCc1nc2ccccc2s1 ZINC000160002395 366965824 /nfs/dbraw/zinc/96/58/24/366965824.db2.gz RJDUCHBVVSPYSQ-UHFFFAOYSA-N 1 0 291.420 2.474 20 70 CEIDRO C[C@H](NC(=O)NCC1(C2CC2)CC1)C(C)(C)C[NH+](C)C ZINC000160034327 366966841 /nfs/dbraw/zinc/96/68/41/366966841.db2.gz RIRHHMBUSKMIOE-LBPRGKRZSA-N 1 0 281.444 2.452 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000160168278 366979311 /nfs/dbraw/zinc/97/93/11/366979311.db2.gz IFTCSPICBJGJMI-LBPRGKRZSA-N 1 0 282.771 2.059 20 70 CEIDRO CC[C@H](C(=O)NC[C@@H](C)Cc1cccs1)[NH+](C)C ZINC000160177905 366979487 /nfs/dbraw/zinc/97/94/87/366979487.db2.gz CWLHBPDRZDFKIU-WCQYABFASA-N 1 0 268.426 2.383 20 70 CEIDRO C[C@H](CO)[NH2+]Cc1c(F)cccc1Br ZINC000160261401 366987062 /nfs/dbraw/zinc/98/70/62/366987062.db2.gz KTEOAYLREDSYCI-SSDOTTSWSA-N 1 0 262.122 2.059 20 70 CEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(C)CCCS1 ZINC000160305494 366992879 /nfs/dbraw/zinc/99/28/79/366992879.db2.gz WIBKFQVYTFLSOV-ZFWWWQNUSA-N 1 0 299.484 2.446 20 70 CEIDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(=O)NCC(F)(F)F ZINC000160585501 367019874 /nfs/dbraw/zinc/01/98/74/367019874.db2.gz CMJOTBHBRPXIGY-ZJUUUORDSA-N 1 0 268.323 2.469 20 70 CEIDRO COCC[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160581433 367019962 /nfs/dbraw/zinc/01/99/62/367019962.db2.gz JFHDZEBANUJSMK-VIFPVBQESA-N 1 0 273.174 2.359 20 70 CEIDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)CN1Cc1ccccc1 ZINC000160601749 367021318 /nfs/dbraw/zinc/02/13/18/367021318.db2.gz WRCQHJRGKDHGJJ-UKRRQHHQSA-N 1 0 262.397 2.010 20 70 CEIDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160380844 367000736 /nfs/dbraw/zinc/00/07/36/367000736.db2.gz SAWSXSWFCNXOGE-OAHLLOKOSA-N 1 0 295.471 2.264 20 70 CEIDRO COc1cc(C)nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000160428294 367005688 /nfs/dbraw/zinc/00/56/88/367005688.db2.gz BMNOGAOIWPIXAD-OCCSQVGLSA-N 1 0 264.369 2.134 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1COC ZINC000160455750 367007634 /nfs/dbraw/zinc/00/76/34/367007634.db2.gz UNFNCPNZQKHLCK-UHFFFAOYSA-N 1 0 264.369 2.080 20 70 CEIDRO COCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000160853237 367037912 /nfs/dbraw/zinc/03/79/12/367037912.db2.gz VYJXYGDFPYKQLJ-CQSZACIVSA-N 1 0 284.444 2.143 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160894554 367041398 /nfs/dbraw/zinc/04/13/98/367041398.db2.gz NMDVLVMDBGRXNO-MBNYWOFBSA-N 1 0 280.437 2.375 20 70 CEIDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cnc4ccccn34)C2)cn1 ZINC000160928329 367044371 /nfs/dbraw/zinc/04/43/71/367044371.db2.gz HAIGFKASNRAFDR-CQSZACIVSA-N 1 0 295.390 2.132 20 70 CEIDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)C(N)=O ZINC000161007214 367050114 /nfs/dbraw/zinc/05/01/14/367050114.db2.gz CLMLBTFRKRGPSP-RYUDHWBXSA-N 1 0 256.296 2.269 20 70 CEIDRO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2O)cc1 ZINC000161086933 367055499 /nfs/dbraw/zinc/05/54/99/367055499.db2.gz UJMXDQYOOFYGGG-GJZGRUSLSA-N 1 0 276.380 2.169 20 70 CEIDRO CC[N@H+](CCOc1cccc(F)c1)Cc1cnn(C)c1 ZINC000161123646 367059423 /nfs/dbraw/zinc/05/94/23/367059423.db2.gz OPRJBSGTEBNZRP-UHFFFAOYSA-N 1 0 277.343 2.460 20 70 CEIDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CCOC1 ZINC000161141425 367060993 /nfs/dbraw/zinc/06/09/93/367060993.db2.gz NUKYGQIUGAOQPU-KBPBESRZSA-N 1 0 277.364 2.363 20 70 CEIDRO COC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C(C)C ZINC000161140904 367061067 /nfs/dbraw/zinc/06/10/67/367061067.db2.gz TWTQTYZTRXWDNO-CYBMUJFWSA-N 1 0 265.353 2.218 20 70 CEIDRO CSc1cc2c(cc1C[NH2+]C(C)(C)[C@@H](C)O)OCCO2 ZINC000161130798 367061144 /nfs/dbraw/zinc/06/11/44/367061144.db2.gz GRZONGRXFXQCEN-SNVBAGLBSA-N 1 0 297.420 2.429 20 70 CEIDRO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161162881 367063439 /nfs/dbraw/zinc/06/34/39/367063439.db2.gz DRIXRKZBMOEDMO-WDMOLILDSA-N 1 0 282.359 2.083 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000161162992 367064201 /nfs/dbraw/zinc/06/42/01/367064201.db2.gz FCJZMXAEEZFSDO-ZNMIVQPWSA-N 1 0 276.355 2.140 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1OC ZINC000161202162 367067178 /nfs/dbraw/zinc/06/71/78/367067178.db2.gz DEUGZCHJXBYLCS-ZIAGYGMSSA-N 1 0 290.407 2.399 20 70 CEIDRO CCOc1ccc(OCC[NH+]2CCC(C)(O)CC2)cc1 ZINC000161204386 367068273 /nfs/dbraw/zinc/06/82/73/367068273.db2.gz CICLAWXIQKQJSW-UHFFFAOYSA-N 1 0 279.380 2.311 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2)c1C ZINC000161302546 367076234 /nfs/dbraw/zinc/07/62/34/367076234.db2.gz NUNWBHUMHLAHPS-OAHLLOKOSA-N 1 0 298.390 2.005 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1F ZINC000161314784 367077359 /nfs/dbraw/zinc/07/73/59/367077359.db2.gz VKRYMRKIUDPFMS-ZDUSSCGKSA-N 1 0 282.334 2.108 20 70 CEIDRO COc1cccc(N2CC[NH+](Cc3ccn(C)c3)CC2)c1 ZINC000160686699 367026581 /nfs/dbraw/zinc/02/65/81/367026581.db2.gz HFMGYEULYPXPJT-UHFFFAOYSA-N 1 0 285.391 2.356 20 70 CEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCc2ccccc2O)C1 ZINC000161377626 367082556 /nfs/dbraw/zinc/08/25/56/367082556.db2.gz NQLZBSWLIZSCSV-HIFRSBDPSA-N 1 0 290.407 2.170 20 70 CEIDRO COc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000161493020 367090403 /nfs/dbraw/zinc/09/04/03/367090403.db2.gz WCOUADITKNCGEN-NWDGAFQWSA-N 1 0 296.798 2.482 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N(Cc1ccccc1)CC(F)F ZINC000161484423 367090901 /nfs/dbraw/zinc/09/09/01/367090901.db2.gz XBSLMYIOYYVNAB-ZDUSSCGKSA-N 1 0 282.334 2.422 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccncc1 ZINC000160988429 299393201 /nfs/dbraw/zinc/39/32/01/299393201.db2.gz DRIYQCDHNLMECP-CFVMTHIKSA-N 1 0 262.353 2.070 20 70 CEIDRO C[C@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)N(C)C1CC1 ZINC000217566982 370198066 /nfs/dbraw/zinc/19/80/66/370198066.db2.gz TVRBHLFDTTVLFD-PNESKVBLSA-N 1 0 297.443 2.114 20 70 CEIDRO Cn1nc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000218110349 370205363 /nfs/dbraw/zinc/20/53/63/370205363.db2.gz PWMMZFMVMDNRDS-YOEHRIQHSA-N 1 0 284.407 2.290 20 70 CEIDRO C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccsc1 ZINC000160282144 533217070 /nfs/dbraw/zinc/21/70/70/533217070.db2.gz XSSBPQXHPFKDEP-VXGBXAGGSA-N 1 0 266.410 2.262 20 70 CEIDRO C[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000161488412 395064217 /nfs/dbraw/zinc/06/42/17/395064217.db2.gz FTMIPEKABYJWKW-NJZAAPMLSA-N 1 0 276.355 2.345 20 70 CEIDRO CCSc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000217121293 400306636 /nfs/dbraw/zinc/30/66/36/400306636.db2.gz DOAZXYRPQBZBRQ-LLVKDONJSA-N 1 0 264.394 2.233 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc2c1OCCO2 ZINC000217393817 153298495 /nfs/dbraw/zinc/29/84/95/153298495.db2.gz XWVDMFWKERJWIG-CYBMUJFWSA-N 1 0 278.396 2.278 20 70 CEIDRO CC(C)[NH2+]C1CCN(Cc2cnc3ccccn23)CC1 ZINC000159751556 162312404 /nfs/dbraw/zinc/31/24/04/162312404.db2.gz CYTOQRSOIOWYNQ-UHFFFAOYSA-N 1 0 272.396 2.297 20 70 CEIDRO C[C@H]1CCN(CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000159863679 162316978 /nfs/dbraw/zinc/31/69/78/162316978.db2.gz PDXVOMUTXYEHLG-KRWDZBQOSA-N 1 0 298.434 2.480 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)Nc2nc(C)cs2)CC1 ZINC000160011845 162319959 /nfs/dbraw/zinc/31/99/59/162319959.db2.gz RGRBVMYKODEUFB-UHFFFAOYSA-N 1 0 282.413 2.401 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)OCCC(C)C)CC1 ZINC000160375228 162326913 /nfs/dbraw/zinc/32/69/13/162326913.db2.gz WBSOTNRGHVSATN-HNNXBMFYSA-N 1 0 284.444 2.382 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccn1 ZINC000160851249 162326993 /nfs/dbraw/zinc/32/69/93/162326993.db2.gz TVASAEHDZQXSRR-GUTXKFCHSA-N 1 0 262.353 2.070 20 70 CEIDRO COC[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159914630 277586853 /nfs/dbraw/zinc/58/68/53/277586853.db2.gz JYJUULQPIKYQIF-KBPBESRZSA-N 1 0 277.412 2.232 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000161182485 279392338 /nfs/dbraw/zinc/39/23/38/279392338.db2.gz WDFLAGBGGBCVFL-GVXVVHGQSA-N 1 0 264.394 2.039 20 70 CEIDRO CCCN(CC[NH+](C)C)C(=O)c1cc(C)c(C)o1 ZINC000159394760 297428668 /nfs/dbraw/zinc/42/86/68/297428668.db2.gz PATMJCSJDZNNGV-UHFFFAOYSA-N 1 0 252.358 2.310 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000159658861 297429707 /nfs/dbraw/zinc/42/97/07/297429707.db2.gz VYSITKCSOLBDRU-KGLIPLIRSA-N 1 0 269.433 2.452 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000159658989 312632976 /nfs/dbraw/zinc/63/29/76/312632976.db2.gz VYSITKCSOLBDRU-UONOGXRCSA-N 1 0 269.433 2.452 20 70 CEIDRO CC[NH+](CC)[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160876539 312642634 /nfs/dbraw/zinc/64/26/34/312642634.db2.gz XNMCGIXUEQBRAE-CQSZACIVSA-N 1 0 272.396 2.250 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCN(C(C)C)C(C)C)CC1 ZINC000161205617 519645161 /nfs/dbraw/zinc/64/51/61/519645161.db2.gz LMLGTVICDDPZOJ-UHFFFAOYSA-N 1 0 283.460 2.142 20 70 CEIDRO CC(C)CNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000161162005 519735731 /nfs/dbraw/zinc/73/57/31/519735731.db2.gz MHOIQKKTILOWLE-ZDUSSCGKSA-N 1 0 267.417 2.301 20 70 CEIDRO CCCC[C@H](CC)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161060073 521159360 /nfs/dbraw/zinc/15/93/60/521159360.db2.gz DXWKXYCQYCJKIV-MJBXVCDLSA-N 1 0 270.417 2.168 20 70 CEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159438781 521836326 /nfs/dbraw/zinc/83/63/26/521836326.db2.gz NHIJTKXWQFGDJI-JOYOIKCWSA-N 1 0 266.389 2.310 20 70 CEIDRO [NH3+]CCCNC(=O)Cc1cc(Cl)ccc1Cl ZINC000160060151 534611999 /nfs/dbraw/zinc/61/19/99/534611999.db2.gz CIBQKSUANUDOAR-UHFFFAOYSA-N 1 0 261.152 2.001 20 70 CEIDRO COC(CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000160751217 522529328 /nfs/dbraw/zinc/52/93/28/522529328.db2.gz WLRMESUUTRUTQW-HNNXBMFYSA-N 1 0 284.444 2.049 20 70 CEIDRO CO[C@@H]1CC[C@H]2OCCN(CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000161457063 523725646 /nfs/dbraw/zinc/72/56/46/523725646.db2.gz CLSPPKUZRZRPHX-BRWVUGGUSA-N 1 0 296.455 2.131 20 70 CEIDRO CCc1cc(C(=O)N2CC[C@H]([NH2+]C)C2)sc1C ZINC000160464016 523758926 /nfs/dbraw/zinc/75/89/26/523758926.db2.gz DPNOOWOMJJAXOR-NSHDSACASA-N 1 0 252.383 2.053 20 70 CEIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160866750 524315733 /nfs/dbraw/zinc/31/57/33/524315733.db2.gz LKMDPQVYVVHBBT-GXTWGEPZSA-N 1 0 279.428 2.443 20 70 CEIDRO Cc1ccc([C@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000159661558 525876014 /nfs/dbraw/zinc/87/60/14/525876014.db2.gz WNHOVVHSSDMUIJ-UKRRQHHQSA-N 1 0 260.381 2.357 20 70 CEIDRO Cc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160560774 525951951 /nfs/dbraw/zinc/95/19/51/525951951.db2.gz BIZAQPRKKNCYHG-WTBPUQPLSA-N 1 0 270.376 2.361 20 70 CEIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000159667528 526682284 /nfs/dbraw/zinc/68/22/84/526682284.db2.gz CAGBRJZPMLYMMV-ZIAGYGMSSA-N 1 0 296.455 2.463 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000160557814 528924984 /nfs/dbraw/zinc/92/49/84/528924984.db2.gz CWNLOJLDDKEDFY-STQMWFEESA-N 1 0 270.417 2.215 20 70 CEIDRO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160631371 529254278 /nfs/dbraw/zinc/25/42/78/529254278.db2.gz PXBFDWKTDPOHPN-TZMCWYRMSA-N 1 0 278.421 2.378 20 70 CEIDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCF)CC1 ZINC000218395457 344536246 /nfs/dbraw/zinc/53/62/46/344536246.db2.gz CZDGVDKHIKZIRK-LLVKDONJSA-N 1 0 260.353 2.335 20 70 CEIDRO Cc1ccc(SCCC(=O)NCCC[NH3+])cc1C ZINC000160120981 232248673 /nfs/dbraw/zinc/24/86/73/232248673.db2.gz ZDGWVKCCGDUNCJ-UHFFFAOYSA-N 1 0 266.410 2.251 20 70 CEIDRO Cc1cccc([C@@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000160737397 232252455 /nfs/dbraw/zinc/25/24/55/232252455.db2.gz SMUWPZIRDVJLKG-DZGCQCFKSA-N 1 0 260.381 2.357 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)C1(c2ccc(F)cc2)CC1 ZINC000160550210 188480609 /nfs/dbraw/zinc/48/06/09/188480609.db2.gz CBEVPAMUBVVOPN-UHFFFAOYSA-N 1 0 278.371 2.491 20 70 CEIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cccnc1 ZINC000161218668 188515794 /nfs/dbraw/zinc/51/57/94/188515794.db2.gz HPABFARAYOPZNZ-ZDUSSCGKSA-N 1 0 287.363 2.454 20 70 CEIDRO CCOc1ccc(CCC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161225910 188516604 /nfs/dbraw/zinc/51/66/04/188516604.db2.gz NHLJQAYZBHIKNH-OAHLLOKOSA-N 1 0 290.407 2.228 20 70 CEIDRO CCCn1nccc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000160083484 540111543 /nfs/dbraw/zinc/11/15/43/540111543.db2.gz QVNOMYMDSMVIJQ-UHFFFAOYSA-N 1 0 292.427 2.030 20 70 CEIDRO CCCn1nccc1CNC[C@H](CC(C)C)[NH+](C)C ZINC000159990484 540109729 /nfs/dbraw/zinc/10/97/29/540109729.db2.gz WZMZZFPUPGQQHZ-HNNXBMFYSA-N 1 0 266.433 2.359 20 70 CEIDRO CCCn1nccc1C[NH2+]CCCn1nc(C)cc1C ZINC000160216003 540113382 /nfs/dbraw/zinc/11/33/82/540113382.db2.gz XSDLQBZERMINKC-UHFFFAOYSA-N 1 0 275.400 2.286 20 70 CEIDRO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160788546 540123162 /nfs/dbraw/zinc/12/31/62/540123162.db2.gz DKUBDVWRUMHUJX-VXGBXAGGSA-N 1 0 299.374 2.249 20 70 CEIDRO COc1ccc(Cl)cc1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161120056 540133030 /nfs/dbraw/zinc/13/30/30/540133030.db2.gz HCIXMWHTLREIME-OLZOCXBDSA-N 1 0 296.798 2.277 20 70 CEIDRO Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161399326 540137466 /nfs/dbraw/zinc/13/74/66/540137466.db2.gz KHOJZLMULQHCJX-STQMWFEESA-N 1 0 296.798 2.413 20 70 CEIDRO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000161463705 540138387 /nfs/dbraw/zinc/13/83/87/540138387.db2.gz YFXXIQACTJHYLF-GARJFASQSA-N 1 0 252.383 2.238 20 70 CEIDRO COc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000161446416 540138390 /nfs/dbraw/zinc/13/83/90/540138390.db2.gz NQKTUUXRHHWADF-NWDGAFQWSA-N 1 0 292.379 2.012 20 70 CEIDRO CS[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159687553 366938967 /nfs/dbraw/zinc/93/89/67/366938967.db2.gz JUMRISVGSRCGTO-OLZOCXBDSA-N 1 0 287.473 2.159 20 70 CEIDRO [NH3+]CC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159674068 366938978 /nfs/dbraw/zinc/93/89/78/366938978.db2.gz YEYRJMHCGGUOMD-UHFFFAOYSA-N 1 0 264.394 2.166 20 70 CEIDRO C[C@@H]([NH2+]CCO)c1ccc(F)cc1Br ZINC000159687707 366940004 /nfs/dbraw/zinc/94/00/04/366940004.db2.gz IDAOTICJJWIOFR-SSDOTTSWSA-N 1 0 262.122 2.231 20 70 CEIDRO CCOc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159717261 366941813 /nfs/dbraw/zinc/94/18/13/366941813.db2.gz TZDTWVQUNGGSMO-UHFFFAOYSA-N 1 0 276.380 2.173 20 70 CEIDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1O ZINC000159409393 366910872 /nfs/dbraw/zinc/91/08/72/366910872.db2.gz ZMBKSHPKZAYOFX-HZMBPMFUSA-N 1 0 281.783 2.478 20 70 CEIDRO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159429107 366912335 /nfs/dbraw/zinc/91/23/35/366912335.db2.gz YGMFJWUOMXZVNZ-MCIONIFRSA-N 1 0 292.423 2.127 20 70 CEIDRO Cc1ccc2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)ccc2n1 ZINC000159543868 366923826 /nfs/dbraw/zinc/92/38/26/366923826.db2.gz IQMHVGHDZPLNRG-ZDUSSCGKSA-N 1 0 283.375 2.225 20 70 CEIDRO COCCC1(C(=O)NCC(C)(C)C[NH+](C)C)CCCC1 ZINC000159579602 366928219 /nfs/dbraw/zinc/92/82/19/366928219.db2.gz OOYSEUJZJYYKLU-UHFFFAOYSA-N 1 0 284.444 2.287 20 70 CEIDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000159621470 366933081 /nfs/dbraw/zinc/93/30/81/366933081.db2.gz VLNKKVJJUUWEGI-CYBMUJFWSA-N 1 0 287.363 2.028 20 70 CEIDRO C[N@H+](CCOCCOc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000159794489 366949278 /nfs/dbraw/zinc/94/92/78/366949278.db2.gz GPGWFKGNBPPHFW-RDJZCZTQSA-N 1 0 293.407 2.175 20 70 CEIDRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159790317 366947651 /nfs/dbraw/zinc/94/76/51/366947651.db2.gz JWJNYWWKAFKBJA-RISCZKNCSA-N 1 0 276.380 2.490 20 70 CEIDRO CS[C@@H](C)CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000159785963 366947885 /nfs/dbraw/zinc/94/78/85/366947885.db2.gz FUTIJYUFSUSNEP-STQMWFEESA-N 1 0 287.473 2.158 20 70 CEIDRO C[C@@H](C[NH3+])C(=O)Nc1ccc(F)c(Br)c1 ZINC000159956491 366960811 /nfs/dbraw/zinc/96/08/11/366960811.db2.gz NCTRBLOHDDZBSI-LURJTMIESA-N 1 0 275.121 2.122 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000160019004 366965418 /nfs/dbraw/zinc/96/54/18/366965418.db2.gz BWJARHAKQLKVCK-IOASZLSFSA-N 1 0 292.354 2.297 20 70 CEIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@@H]([NH3+])CC ZINC000160097098 366973156 /nfs/dbraw/zinc/97/31/56/366973156.db2.gz YLQGBONQMJQKHN-AWEZNQCLSA-N 1 0 266.360 2.344 20 70 CEIDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160120888 366975469 /nfs/dbraw/zinc/97/54/69/366975469.db2.gz ZPFHJMLBZIVIGF-YINFPWJTSA-N 1 0 276.424 2.173 20 70 CEIDRO Cc1cc(CCCC(=O)NCCC[NH3+])c(C)s1 ZINC000160177537 366979936 /nfs/dbraw/zinc/97/99/36/366979936.db2.gz JVVHPZKRGRIEMU-UHFFFAOYSA-N 1 0 254.399 2.153 20 70 CEIDRO Cc1sc2ncnc(N(C)[C@@H](C[NH3+])C3CC3)c2c1C ZINC000160204799 366982459 /nfs/dbraw/zinc/98/24/59/366982459.db2.gz YOBXTFZXNYSWKE-NSHDSACASA-N 1 0 276.409 2.482 20 70 CEIDRO COC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)C1CC1 ZINC000160346405 366997921 /nfs/dbraw/zinc/99/79/21/366997921.db2.gz VYOLDSCPYOWPFO-CQSZACIVSA-N 1 0 259.353 2.157 20 70 CEIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCC1CC1 ZINC000160404419 367002847 /nfs/dbraw/zinc/00/28/47/367002847.db2.gz YJJLMYPSQUZAHA-AWEZNQCLSA-N 1 0 267.417 2.158 20 70 CEIDRO Cc1cc(C)n2c(C[NH2+][C@@H]3CCOC(C)(C)C3)cnc2n1 ZINC000160432035 367004749 /nfs/dbraw/zinc/00/47/49/367004749.db2.gz ANPOLLHXBPBSQA-CYBMUJFWSA-N 1 0 288.395 2.393 20 70 CEIDRO COCc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)o1 ZINC000160469757 367009935 /nfs/dbraw/zinc/00/99/35/367009935.db2.gz IDOIWGWDOSUNDU-NSHDSACASA-N 1 0 253.342 2.473 20 70 CEIDRO CCCn1c(C)nnc1CN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000160495018 367011334 /nfs/dbraw/zinc/01/13/34/367011334.db2.gz CJQBGBRMQORLPX-HNNXBMFYSA-N 1 0 293.459 2.160 20 70 CEIDRO CCc1cc(=O)[nH]c(CN(C)Cc2ccc(OC)cc2)n1 ZINC000160510674 367012380 /nfs/dbraw/zinc/01/23/80/367012380.db2.gz OYBVFANRECDRPX-UHFFFAOYSA-N 1 0 287.363 2.385 20 70 CEIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N2CCCCCC2)C1 ZINC000160555727 367016392 /nfs/dbraw/zinc/01/63/92/367016392.db2.gz RLTCDKBIIZQTKO-CQSZACIVSA-N 1 0 267.417 2.399 20 70 CEIDRO CC[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160796695 367035850 /nfs/dbraw/zinc/03/58/50/367035850.db2.gz CUVRORQXIGKVIM-UONOGXRCSA-N 1 0 284.469 2.462 20 70 CEIDRO CCCCn1ncc(C(=O)NCC(C)(C)[NH+](C)C)c1C ZINC000161169721 367064522 /nfs/dbraw/zinc/06/45/22/367064522.db2.gz VSKFFAJTNIHWNW-UHFFFAOYSA-N 1 0 280.416 2.062 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)Nc1nnc(C(F)F)s1 ZINC000161191386 367066424 /nfs/dbraw/zinc/06/64/24/367066424.db2.gz RCAJMJXNMGAKCT-UHFFFAOYSA-N 1 0 278.328 2.179 20 70 CEIDRO CC(C)(CNC(=O)[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000161197718 367066545 /nfs/dbraw/zinc/06/65/45/367066545.db2.gz SWVCABSSPILPPK-LBPRGKRZSA-N 1 0 278.371 2.219 20 70 CEIDRO CC[C@H](NC(=O)CCC[NH3+])c1ccc(F)cc1F ZINC000161210847 367068778 /nfs/dbraw/zinc/06/87/78/367068778.db2.gz LXRHONVUNWIDSL-LBPRGKRZSA-N 1 0 256.296 2.271 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCOc2ccc(C)cc2)CC1 ZINC000161248479 367072034 /nfs/dbraw/zinc/07/20/34/367072034.db2.gz TYBMENAQJKWQOM-UHFFFAOYSA-N 1 0 290.407 2.411 20 70 CEIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)n1 ZINC000161307217 367076371 /nfs/dbraw/zinc/07/63/71/367076371.db2.gz MSYPYSUKAQNHHO-ZDUSSCGKSA-N 1 0 293.415 2.097 20 70 CEIDRO CCC(CC)n1ncc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1C ZINC000160654095 367025644 /nfs/dbraw/zinc/02/56/44/367025644.db2.gz OIFADBRHUFVXLM-CYBMUJFWSA-N 1 0 292.427 2.234 20 70 CEIDRO CCCN(C)c1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161388326 367082355 /nfs/dbraw/zinc/08/23/55/367082355.db2.gz RUTNXTWDNRQCCV-INIZCTEOSA-N 1 0 289.423 2.357 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1nc(C)sc1C ZINC000161391523 367082649 /nfs/dbraw/zinc/08/26/49/367082649.db2.gz YOYYXEQQBUBBIY-JTQLQIEISA-N 1 0 283.441 2.149 20 70 CEIDRO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000161449887 367087931 /nfs/dbraw/zinc/08/79/31/367087931.db2.gz HJELUOUCCQNPSK-CHWSQXEVSA-N 1 0 282.453 2.392 20 70 CEIDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c1cccc2Cl ZINC000161472334 367088925 /nfs/dbraw/zinc/08/89/25/367088925.db2.gz BKMKLTNHBKLNSH-CYBMUJFWSA-N 1 0 264.756 2.323 20 70 CEIDRO COC1(C(=O)N2CCC[C@H](CC(C)C)C2)CC[NH2+]CC1 ZINC000161474946 367089152 /nfs/dbraw/zinc/08/91/52/367089152.db2.gz LQYZKBMWFIWCQU-CQSZACIVSA-N 1 0 282.428 2.040 20 70 CEIDRO Cn1nc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000218110274 370204812 /nfs/dbraw/zinc/20/48/12/370204812.db2.gz PWMMZFMVMDNRDS-PBHICJAKSA-N 1 0 284.407 2.290 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000159678155 285215589 /nfs/dbraw/zinc/21/55/89/285215589.db2.gz FIRGHRQMHRXNKF-KBPBESRZSA-N 1 0 267.417 2.302 20 70 CEIDRO [NH3+]C1(C(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000159367259 395058214 /nfs/dbraw/zinc/05/82/14/395058214.db2.gz LGYNXZKBBAKWQR-UHFFFAOYSA-N 1 0 256.349 2.336 20 70 CEIDRO COCCN(C)CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000159389835 395058562 /nfs/dbraw/zinc/05/85/62/395058562.db2.gz WUSYJEHILYXNFH-HNNXBMFYSA-N 1 0 278.396 2.068 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161247378 395063792 /nfs/dbraw/zinc/06/37/92/395063792.db2.gz DXMDUMIERUDBIF-JKOKRWQUSA-N 1 0 264.344 2.267 20 70 CEIDRO CC[NH+](CC)CCCNC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000159697601 297429930 /nfs/dbraw/zinc/42/99/30/297429930.db2.gz WRXALPIJBBVCIT-ZIAGYGMSSA-N 1 0 269.433 2.406 20 70 CEIDRO Cn1c2ccccc2nc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218109648 400308590 /nfs/dbraw/zinc/30/85/90/400308590.db2.gz JMNKWUWSPDNZRL-CJNGLKHVSA-N 1 0 284.407 2.290 20 70 CEIDRO O=C(NCc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000217402509 153296825 /nfs/dbraw/zinc/29/68/25/153296825.db2.gz FYVUCPLCMPXLOU-OAHLLOKOSA-N 1 0 273.380 2.066 20 70 CEIDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(OC)cc(OC)n1 ZINC000159770960 162312048 /nfs/dbraw/zinc/31/20/48/162312048.db2.gz XWTIRGGRAFGVCA-GFCCVEGCSA-N 1 0 296.415 2.416 20 70 CEIDRO CCOCCC1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC000159719756 162313805 /nfs/dbraw/zinc/31/38/05/162313805.db2.gz CVJOQJQWEDQJND-UHFFFAOYSA-N 1 0 270.417 2.040 20 70 CEIDRO C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160079519 162321580 /nfs/dbraw/zinc/32/15/80/162321580.db2.gz PLLMIVAEBVQARK-FZMZJTMJSA-N 1 0 284.350 2.273 20 70 CEIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cnccn1 ZINC000160121871 162323209 /nfs/dbraw/zinc/32/32/09/162323209.db2.gz CJQLNQIIUVQHKE-CYBMUJFWSA-N 1 0 288.370 2.398 20 70 CEIDRO CC(C)Oc1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000160067634 162323326 /nfs/dbraw/zinc/32/33/26/162323326.db2.gz NFMCJYBRRIBYNX-HIFRSBDPSA-N 1 0 277.412 2.299 20 70 CEIDRO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000160905842 274617566 /nfs/dbraw/zinc/61/75/66/274617566.db2.gz POVIHYNDLUOMCX-CFVMTHIKSA-N 1 0 258.365 2.143 20 70 CEIDRO CC(C)CSCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000160704637 277430947 /nfs/dbraw/zinc/43/09/47/277430947.db2.gz WQGXADGQWVOHDW-ZDUSSCGKSA-N 1 0 274.474 2.468 20 70 CEIDRO C[C@@]1(C(=O)Nc2ccn(-c3ccccc3)n2)CCC[NH2+]C1 ZINC000161330446 278120128 /nfs/dbraw/zinc/12/01/28/278120128.db2.gz FOWWRKMYHFITOY-MRXNPFEDSA-N 1 0 284.363 2.201 20 70 CEIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000161120342 278197791 /nfs/dbraw/zinc/19/77/91/278197791.db2.gz UPWFWLXQHRJBRQ-CHWSQXEVSA-N 1 0 278.421 2.426 20 70 CEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC2(CCC2)C1 ZINC000160304037 289562602 /nfs/dbraw/zinc/56/26/02/289562602.db2.gz ZJBREXDJAFFKCY-CQSZACIVSA-N 1 0 279.428 2.446 20 70 CEIDRO COC[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160039886 297432405 /nfs/dbraw/zinc/43/24/05/297432405.db2.gz JQRXZDCCUUPSBI-LLVKDONJSA-N 1 0 282.350 2.275 20 70 CEIDRO CC(C)(C)OC(=O)NCCC[NH2+]CC1(CO)CCCC1 ZINC000160093650 297433266 /nfs/dbraw/zinc/43/32/66/297433266.db2.gz GVACQLFCHMAZFV-UHFFFAOYSA-N 1 0 286.416 2.044 20 70 CEIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cnn(C)c1 ZINC000161127530 297442393 /nfs/dbraw/zinc/44/23/93/297442393.db2.gz XVFIEJUGTATULS-LLVKDONJSA-N 1 0 273.336 2.042 20 70 CEIDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160121864 300323998 /nfs/dbraw/zinc/32/39/98/300323998.db2.gz UELCANDHBUBLOA-YZQVSVNPSA-N 1 0 276.424 2.173 20 70 CEIDRO CC(C)OC[C@H](O)C[NH2+]CCc1cccc2cccnc21 ZINC000159364444 312631974 /nfs/dbraw/zinc/63/19/74/312631974.db2.gz CUEFBICJFOUGEW-MRXNPFEDSA-N 1 0 288.391 2.153 20 70 CEIDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCO)cc1 ZINC000159674374 312632825 /nfs/dbraw/zinc/63/28/25/312632825.db2.gz GFUGLIYDXVKRGX-LBPRGKRZSA-N 1 0 279.384 2.203 20 70 CEIDRO COC(=O)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1Cl ZINC000159464575 534197956 /nfs/dbraw/zinc/19/79/56/534197956.db2.gz DCXGOORTYKMJEJ-UHFFFAOYSA-N 1 0 284.743 2.050 20 70 CEIDRO CCOc1cc(Cl)ccc1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000161503762 520741740 /nfs/dbraw/zinc/74/17/40/520741740.db2.gz BYHYRZZWYQIKDA-ZDUSSCGKSA-N 1 0 286.734 2.379 20 70 CEIDRO CC[C@@H](C)OCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000160953753 522243458 /nfs/dbraw/zinc/24/34/58/522243458.db2.gz CTFGOPJEFVFMEH-CYBMUJFWSA-N 1 0 282.428 2.325 20 70 CEIDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)[C@H]1CCOC1 ZINC000161199725 522617494 /nfs/dbraw/zinc/61/74/94/522617494.db2.gz CFLXECIARSFLKR-KKUMJFAQSA-N 1 0 254.418 2.266 20 70 CEIDRO COC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)C(C)C ZINC000160683876 522746088 /nfs/dbraw/zinc/74/60/88/522746088.db2.gz OPGQYXHFVQVWBR-DOMZBBRYSA-N 1 0 276.380 2.373 20 70 CEIDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1F ZINC000160783774 522867130 /nfs/dbraw/zinc/86/71/30/522867130.db2.gz KGLNMYJTJGQGJF-LERXQTSPSA-N 1 0 298.333 2.038 20 70 CEIDRO C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000160571166 524127784 /nfs/dbraw/zinc/12/77/84/524127784.db2.gz QSHLLEYEODIXKL-UONOGXRCSA-N 1 0 252.402 2.415 20 70 CEIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609331 525384997 /nfs/dbraw/zinc/38/49/97/525384997.db2.gz BHSOUZZVUAAMBP-RYUDHWBXSA-N 1 0 282.347 2.253 20 70 CEIDRO Cc1ccn(-c2ccccc2NC(=O)C2CC[NH+](C)CC2)n1 ZINC000161272737 525563902 /nfs/dbraw/zinc/56/39/02/525563902.db2.gz MGIAOMIJFXCHJP-UHFFFAOYSA-N 1 0 298.390 2.461 20 70 CEIDRO CCOCCC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000159695119 528661718 /nfs/dbraw/zinc/66/17/18/528661718.db2.gz MOPLCKILLKHWQD-UHFFFAOYSA-N 1 0 283.803 2.284 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1-n1cccn1 ZINC000160414685 528947279 /nfs/dbraw/zinc/94/72/79/528947279.db2.gz ZFPUJYGLYDVYJE-UHFFFAOYSA-N 1 0 286.379 2.120 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)CC2 ZINC000160436398 282117519 /nfs/dbraw/zinc/11/75/19/282117519.db2.gz LFCZZPRKFQEZEU-JQWIXIFHSA-N 1 0 282.457 2.411 20 70 CEIDRO CC[C@@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160494180 529461647 /nfs/dbraw/zinc/46/16/47/529461647.db2.gz GYAAPKJGPKPKEP-UONOGXRCSA-N 1 0 252.402 2.413 20 70 CEIDRO CCC[N@H+](CC)CCNC(=O)C[C@H](C)c1ccncc1 ZINC000160900123 539278952 /nfs/dbraw/zinc/27/89/52/539278952.db2.gz JEIPWXZCULATNF-AWEZNQCLSA-N 1 0 277.412 2.423 20 70 CEIDRO CN(CC(=O)Nc1ccc(F)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000160121492 529837882 /nfs/dbraw/zinc/83/78/82/529837882.db2.gz CPPTWPYPHMMDQH-CYBMUJFWSA-N 1 0 299.777 2.087 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000159379989 344454175 /nfs/dbraw/zinc/45/41/75/344454175.db2.gz MMUTZRVCVLFBLJ-AWEZNQCLSA-N 1 0 281.396 2.139 20 70 CEIDRO CC(C)(C)CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159489299 344455077 /nfs/dbraw/zinc/45/50/77/344455077.db2.gz XSRFVJGFGFWSPT-CYBMUJFWSA-N 1 0 252.402 2.413 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000160239232 344457738 /nfs/dbraw/zinc/45/77/38/344457738.db2.gz PBGQMOZESYDMPD-GFCCVEGCSA-N 1 0 287.787 2.094 20 70 CEIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCO2)C[C@@H]1C ZINC000161485834 344464195 /nfs/dbraw/zinc/46/41/95/344464195.db2.gz SLQPBTWXQHRESF-XDQVBPFNSA-N 1 0 269.385 2.123 20 70 CEIDRO [NH3+]CCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000160106964 188456422 /nfs/dbraw/zinc/45/64/22/188456422.db2.gz WDQRYZSBBHTLLD-HOTGVXAUSA-N 1 0 268.360 2.408 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160395169 188469884 /nfs/dbraw/zinc/46/98/84/188469884.db2.gz HRSQCUOTRAQNOA-HIFRSBDPSA-N 1 0 278.371 2.344 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccccc2C(C)(C)C)C1 ZINC000160652616 188485515 /nfs/dbraw/zinc/48/55/15/188485515.db2.gz UKMKHMSEESJHPL-ZDUSSCGKSA-N 1 0 290.407 2.183 20 70 CEIDRO CCOC(C)(C)CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000159605976 540099447 /nfs/dbraw/zinc/09/94/47/540099447.db2.gz RMFNYKKKGPJUSY-UHFFFAOYSA-N 1 0 265.357 2.082 20 70 CEIDRO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000160802969 540124008 /nfs/dbraw/zinc/12/40/08/540124008.db2.gz RYJRRUHVEKOWAC-KBPBESRZSA-N 1 0 278.371 2.489 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2occc2Br)C1 ZINC000161026561 540130927 /nfs/dbraw/zinc/13/09/27/540130927.db2.gz IMJNXBYCNNTRMM-JGVFFNPUSA-N 1 0 287.157 2.042 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC000161168056 540134163 /nfs/dbraw/zinc/13/41/63/540134163.db2.gz RPFILJAMVZHMRN-QWRGUYRKSA-N 1 0 282.771 2.105 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC000161381268 540137471 /nfs/dbraw/zinc/13/74/71/540137471.db2.gz HZTZZSQVQPWIAQ-KBPBESRZSA-N 1 0 276.380 2.232 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000161397356 540137577 /nfs/dbraw/zinc/13/75/77/540137577.db2.gz RAYWWYWZRYMXFV-NEPJUHHUSA-N 1 0 282.771 2.105 20 70 CEIDRO CCCc1ncc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161192168 540135289 /nfs/dbraw/zinc/13/52/89/540135289.db2.gz MDNFJDNRATYKNR-UWVGGRQHSA-N 1 0 267.398 2.095 20 70 CEIDRO Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)cn1 ZINC000161405065 540816495 /nfs/dbraw/zinc/81/64/95/540816495.db2.gz UYHBGWOZLPOZDK-ZDUSSCGKSA-N 1 0 288.351 2.407 20 70 CEIDRO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159692478 366940035 /nfs/dbraw/zinc/94/00/35/366940035.db2.gz RIUNFUJCGCZZTK-IPYPFGDCSA-N 1 0 276.380 2.106 20 70 CEIDRO COCCC[N@H+](C)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159688655 366940054 /nfs/dbraw/zinc/94/00/54/366940054.db2.gz QYVRTRKHLONFRZ-HNNXBMFYSA-N 1 0 276.380 2.069 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000159705480 366941474 /nfs/dbraw/zinc/94/14/74/366941474.db2.gz HPLUIDYKJMZVKD-NSHDSACASA-N 1 0 266.360 2.075 20 70 CEIDRO COCCC1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159704999 366941531 /nfs/dbraw/zinc/94/15/31/366941531.db2.gz SRVLSZHNYMRDJJ-AWEZNQCLSA-N 1 0 296.455 2.430 20 70 CEIDRO CCO[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159478124 366917861 /nfs/dbraw/zinc/91/78/61/366917861.db2.gz AEHFCDSUZXRRNK-XHSDSOJGSA-N 1 0 288.391 2.117 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)CC(C)C ZINC000159597750 366931365 /nfs/dbraw/zinc/93/13/65/366931365.db2.gz SYKSOLDZQJACQG-OLZOCXBDSA-N 1 0 257.422 2.451 20 70 CEIDRO Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000159658501 366937176 /nfs/dbraw/zinc/93/71/76/366937176.db2.gz BLPQXCPWQNZDNE-HIFRSBDPSA-N 1 0 260.381 2.357 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159810090 366949800 /nfs/dbraw/zinc/94/98/00/366949800.db2.gz DSPNUWXUFAEGIJ-AAEUAGOBSA-N 1 0 266.772 2.393 20 70 CEIDRO [NH3+]CCC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159807244 366949985 /nfs/dbraw/zinc/94/99/85/366949985.db2.gz PNPVUCYAMHUOBY-LLVKDONJSA-N 1 0 252.745 2.005 20 70 CEIDRO COc1ccccc1/C=C/C[NH+]1CCC(CC(N)=O)CC1 ZINC000159784805 366948312 /nfs/dbraw/zinc/94/83/12/366948312.db2.gz APTQYUVSZQDTAD-GQCTYLIASA-N 1 0 288.391 2.296 20 70 CEIDRO CS[C@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000159785841 366948383 /nfs/dbraw/zinc/94/83/83/366948383.db2.gz FUTIJYUFSUSNEP-CHWSQXEVSA-N 1 0 287.473 2.158 20 70 CEIDRO CN(C)c1cccc(CN(C)CC(=O)N2CCCCC2)c1 ZINC000159855391 366953262 /nfs/dbraw/zinc/95/32/62/366953262.db2.gz LAIJEZQUUZGGQL-UHFFFAOYSA-N 1 0 289.423 2.197 20 70 CEIDRO [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000160064321 366970454 /nfs/dbraw/zinc/97/04/54/366970454.db2.gz IYQKCPKGZHWBAO-STQMWFEESA-N 1 0 259.353 2.409 20 70 CEIDRO CCOCCC1(C[NH2+][C@H](C(N)=O)c2ccccc2)CCC1 ZINC000159983594 366963874 /nfs/dbraw/zinc/96/38/74/366963874.db2.gz JUTJNGXODCESPJ-HNNXBMFYSA-N 1 0 290.407 2.400 20 70 CEIDRO CN(CCC(=O)Nc1ccccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160071676 366970229 /nfs/dbraw/zinc/97/02/29/366970229.db2.gz VTRKGERAUJIGAB-CQSZACIVSA-N 1 0 295.814 2.338 20 70 CEIDRO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000160134724 366975949 /nfs/dbraw/zinc/97/59/49/366975949.db2.gz RVVSGSMFHZIPLF-QWRGUYRKSA-N 1 0 252.383 2.062 20 70 CEIDRO COc1cc2c(cc1C[NH2+][C@@]1(C)CCOC1)O[C@@H](C)C2 ZINC000160184042 366981511 /nfs/dbraw/zinc/98/15/11/366981511.db2.gz MFRPQLWMGKJICS-ZBEGNZNMSA-N 1 0 277.364 2.287 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000160210576 366983250 /nfs/dbraw/zinc/98/32/50/366983250.db2.gz ULSHRELSXSOJEF-LLVKDONJSA-N 1 0 275.739 2.061 20 70 CEIDRO CSc1ccc(C)c(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000160239909 366986578 /nfs/dbraw/zinc/98/65/78/366986578.db2.gz CGMWSYNERPJNGR-NSHDSACASA-N 1 0 264.394 2.280 20 70 CEIDRO C/C=C/C=C/C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160285298 366990293 /nfs/dbraw/zinc/99/02/93/366990293.db2.gz UMWCRJHPPRYVOX-LXILEIMKSA-N 1 0 292.423 2.003 20 70 CEIDRO C[C@H]1OCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000160284519 366990310 /nfs/dbraw/zinc/99/03/10/366990310.db2.gz DZQWTLJWFSRKES-UONOGXRCSA-N 1 0 296.455 2.380 20 70 CEIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CCO ZINC000160318508 366995288 /nfs/dbraw/zinc/99/52/88/366995288.db2.gz MLDGBAUOMBGKNS-AWEZNQCLSA-N 1 0 273.380 2.380 20 70 CEIDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160625852 367022451 /nfs/dbraw/zinc/02/24/51/367022451.db2.gz GMSDIKSJYXVERE-SNVBAGLBSA-N 1 0 253.390 2.368 20 70 CEIDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)O)c1C ZINC000160614179 367022697 /nfs/dbraw/zinc/02/26/97/367022697.db2.gz HLSMEEUNDUCEOI-LBPRGKRZSA-N 1 0 278.396 2.381 20 70 CEIDRO COCC(C)(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000160369307 366999545 /nfs/dbraw/zinc/99/95/45/366999545.db2.gz IKOHJIXSLYOWOG-AWEZNQCLSA-N 1 0 296.386 2.217 20 70 CEIDRO COCC(C)(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000160369408 367000208 /nfs/dbraw/zinc/00/02/08/367000208.db2.gz IKOHJIXSLYOWOG-CQSZACIVSA-N 1 0 296.386 2.217 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC000160499379 367011295 /nfs/dbraw/zinc/01/12/95/367011295.db2.gz ITAUPBBRNMJCQP-GFCCVEGCSA-N 1 0 250.342 2.130 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC000160520620 367011723 /nfs/dbraw/zinc/01/17/23/367011723.db2.gz VLCJTNYWBURTTP-ZYHUDNBSSA-N 1 0 278.421 2.307 20 70 CEIDRO CC[NH+](CC)[C@H]1CCN(C(=O)N2CCCCCC2)C1 ZINC000160555835 367017233 /nfs/dbraw/zinc/01/72/33/367017233.db2.gz RLTCDKBIIZQTKO-AWEZNQCLSA-N 1 0 267.417 2.399 20 70 CEIDRO CCn1nc(C[NH+]2CCC(C)(O)CC2)c2ccccc21 ZINC000160864035 367039376 /nfs/dbraw/zinc/03/93/76/367039376.db2.gz WEOQHSVZVKXWGK-UHFFFAOYSA-N 1 0 273.380 2.403 20 70 CEIDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CCN1C ZINC000160945160 367045222 /nfs/dbraw/zinc/04/52/22/367045222.db2.gz NSWKAZJYGRAFQW-VNQPRFMTSA-N 1 0 262.397 2.182 20 70 CEIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160972014 367047465 /nfs/dbraw/zinc/04/74/65/367047465.db2.gz JRCCPBIXRKPTKY-CHWSQXEVSA-N 1 0 278.396 2.301 20 70 CEIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)C[NH2+]C ZINC000161106594 367057463 /nfs/dbraw/zinc/05/74/63/367057463.db2.gz PUHHVJROFALPLI-DZGCQCFKSA-N 1 0 262.397 2.322 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCO1)c1cccc(F)c1 ZINC000161102209 367057850 /nfs/dbraw/zinc/05/78/50/367057850.db2.gz BGPDSTWHLMYZLN-LSDHHAIUSA-N 1 0 294.370 2.114 20 70 CEIDRO CC[C@H](C(=O)N[C@H](C)COc1cccc(C)c1)[NH+](C)C ZINC000161109400 367057996 /nfs/dbraw/zinc/05/79/96/367057996.db2.gz WZVIXNMYFSUPDW-UKRRQHHQSA-N 1 0 278.396 2.219 20 70 CEIDRO C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)Sc1ccccc1 ZINC000161116955 367059048 /nfs/dbraw/zinc/05/90/48/367059048.db2.gz PWMMXIGWEHMPNO-SWLSCSKDSA-N 1 0 278.421 2.283 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N1CCc2c(F)cccc2C1 ZINC000161129972 367061046 /nfs/dbraw/zinc/06/10/46/367061046.db2.gz LCCSUVKWIHCVHF-UHFFFAOYSA-N 1 0 293.386 2.235 20 70 CEIDRO Cc1ccccc1O[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000161173850 367063978 /nfs/dbraw/zinc/06/39/78/367063978.db2.gz WEGRGYUXAIOKRM-ZIAGYGMSSA-N 1 0 276.380 2.021 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000161171210 367064304 /nfs/dbraw/zinc/06/43/04/367064304.db2.gz JJGBTMVWXALITD-TZMCWYRMSA-N 1 0 280.437 2.295 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000161181849 367065232 /nfs/dbraw/zinc/06/52/32/367065232.db2.gz NDMKKBBRQGTZMF-RRFJBIMHSA-N 1 0 294.439 2.373 20 70 CEIDRO CC1(O)CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000161221960 367070483 /nfs/dbraw/zinc/07/04/83/367070483.db2.gz NQZBFDBVOOKJDF-CABCVRRESA-N 1 0 294.439 2.014 20 70 CEIDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161369255 367081238 /nfs/dbraw/zinc/08/12/38/367081238.db2.gz JIWPDUMXYAAMOX-PWSUYJOCSA-N 1 0 280.368 2.008 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000161239452 367071724 /nfs/dbraw/zinc/07/17/24/367071724.db2.gz KJGAGDNHTNILHG-UHFFFAOYSA-N 1 0 290.407 2.492 20 70 CEIDRO CC(C)OCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161263472 367073470 /nfs/dbraw/zinc/07/34/70/367073470.db2.gz URLILEBTOUTYBF-GFCCVEGCSA-N 1 0 283.334 2.437 20 70 CEIDRO COc1ccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1N ZINC000161300740 367075860 /nfs/dbraw/zinc/07/58/60/367075860.db2.gz NIGMKJSGFAGSJQ-LLVKDONJSA-N 1 0 291.395 2.242 20 70 CEIDRO C[C@H]([NH3+])C(=O)NC(c1cccs1)c1cccs1 ZINC000161299214 367076202 /nfs/dbraw/zinc/07/62/02/367076202.db2.gz SBDHUEDGKSTVRO-QMMMGPOBSA-N 1 0 266.391 2.362 20 70 CEIDRO CC[NH2+]CCNCc1ccc(Br)cc1 ZINC000161315104 367076778 /nfs/dbraw/zinc/07/67/78/367076778.db2.gz XQBTWYIWQIJUFE-UHFFFAOYSA-N 1 0 257.175 2.148 20 70 CEIDRO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000161401853 367083753 /nfs/dbraw/zinc/08/37/53/367083753.db2.gz WUEXEUCBQXVASN-AAEUAGOBSA-N 1 0 296.798 2.366 20 70 CEIDRO C1CCC(N2CC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)C1 ZINC000161446985 367087411 /nfs/dbraw/zinc/08/74/11/367087411.db2.gz AQPYRPXWSVFDSF-HNNXBMFYSA-N 1 0 294.439 2.279 20 70 CEIDRO Cc1ccccc1OCCCNC(=O)NCCC[NH+](C)C ZINC000217300394 370193822 /nfs/dbraw/zinc/19/38/22/370193822.db2.gz DMJWREZYKSCIRU-UHFFFAOYSA-N 1 0 293.411 2.015 20 70 CEIDRO CCc1ncnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000217970477 370203318 /nfs/dbraw/zinc/20/33/18/370203318.db2.gz NLMJHLWCFBGLKA-SNVBAGLBSA-N 1 0 264.348 2.074 20 70 CEIDRO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161211046 249319459 /nfs/dbraw/zinc/31/94/59/249319459.db2.gz NHUMMSGCWXZYRP-CQSZACIVSA-N 1 0 284.444 2.164 20 70 CEIDRO COC(=O)C1(NCCC[NH+]2CCCCC2)CCCCC1 ZINC000161154330 249319969 /nfs/dbraw/zinc/31/99/69/249319969.db2.gz ITRIVCCXTRXGOH-UHFFFAOYSA-N 1 0 282.428 2.328 20 70 CEIDRO COc1ccc([C@@H]2CC[N@H+](Cc3nccn3C)C2)cc1 ZINC000160895819 533145212 /nfs/dbraw/zinc/14/52/12/533145212.db2.gz IPWFOBLCRQMIFZ-CQSZACIVSA-N 1 0 271.364 2.418 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000159954319 285214688 /nfs/dbraw/zinc/21/46/88/285214688.db2.gz HJMYMTCTVRITBO-ZDUSSCGKSA-N 1 0 267.417 2.302 20 70 CEIDRO CC(C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000159611119 395058634 /nfs/dbraw/zinc/05/86/34/395058634.db2.gz ROUQTQGHAGCEMI-HOTGVXAUSA-N 1 0 274.408 2.451 20 70 CEIDRO CC[C@H](C(=O)N[C@H]1C[C@@H]1C1CCCCC1)[NH+](C)C ZINC000160097757 395060081 /nfs/dbraw/zinc/06/00/81/395060081.db2.gz KDTYJUKWGIIHRD-HZSPNIEDSA-N 1 0 252.402 2.412 20 70 CEIDRO Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000160757914 395061995 /nfs/dbraw/zinc/06/19/95/395061995.db2.gz COXUNXFINYRHLN-GFCCVEGCSA-N 1 0 290.388 2.167 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161046292 400283709 /nfs/dbraw/zinc/28/37/09/400283709.db2.gz IERQDIZGOLEQPV-OPQQBVKSSA-N 1 0 250.317 2.082 20 70 CEIDRO COc1cccc(F)c1[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000161054235 400284135 /nfs/dbraw/zinc/28/41/35/400284135.db2.gz ROFQOPSSNYTJFL-GHMZBOCLSA-N 1 0 280.343 2.154 20 70 CEIDRO COC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000218011797 153298585 /nfs/dbraw/zinc/29/85/85/153298585.db2.gz ZXFNPTMGJPPDIM-CVEARBPZSA-N 1 0 288.391 2.142 20 70 CEIDRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCn3ccnc3C2)c1 ZINC000159731494 162313335 /nfs/dbraw/zinc/31/33/35/162313335.db2.gz ZAFQDWCGSGWJSD-AWEZNQCLSA-N 1 0 298.390 2.146 20 70 CEIDRO CN(C(=O)c1ccc(OC(F)F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159824440 162315726 /nfs/dbraw/zinc/31/57/26/162315726.db2.gz ATUVMASTVUHMNO-GFCCVEGCSA-N 1 0 284.306 2.097 20 70 CEIDRO c1cn(CCN2CCC[C@H]([NH+]3CCCCCC3)C2)cn1 ZINC000159813791 162316969 /nfs/dbraw/zinc/31/69/69/162316969.db2.gz OUNKCQZRMVGROF-INIZCTEOSA-N 1 0 276.428 2.224 20 70 CEIDRO CN(C(=O)Cc1c(F)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000159901780 162319014 /nfs/dbraw/zinc/31/90/14/162319014.db2.gz TULYOVOSFHETOW-ZDUSSCGKSA-N 1 0 284.762 2.217 20 70 CEIDRO CC[C@H](COC)[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000159935309 162320616 /nfs/dbraw/zinc/32/06/16/162320616.db2.gz GOQSLMSODOPXHK-DZGCQCFKSA-N 1 0 262.397 2.452 20 70 CEIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cn(-c2ccccc2)nn1 ZINC000160136518 162321724 /nfs/dbraw/zinc/32/17/24/162321724.db2.gz BJFBXTVRHZBFER-GFCCVEGCSA-N 1 0 274.368 2.079 20 70 CEIDRO C[C@@H]1CCC[C@H](C)N1Cc1nsc(N(C)C)n1 ZINC000160112132 162322020 /nfs/dbraw/zinc/32/20/20/162322020.db2.gz IKUXAMWZIQFXJF-AOOOYVTPSA-N 1 0 254.403 2.367 20 70 CEIDRO CC[C@H](C)CN(C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160112730 162323576 /nfs/dbraw/zinc/32/35/76/162323576.db2.gz MPVOWEGYQYWHHJ-RSUWNVLCSA-N 1 0 282.428 2.023 20 70 CEIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000160319772 162327398 /nfs/dbraw/zinc/32/73/98/162327398.db2.gz DQKCHHNLSLGAGK-GFCCVEGCSA-N 1 0 260.362 2.351 20 70 CEIDRO CC[N@@H+](Cc1cnc2ccccn12)C[C@@H]1CCCO1 ZINC000160431778 162328813 /nfs/dbraw/zinc/32/88/13/162328813.db2.gz PJWUMXVVHAVADX-AWEZNQCLSA-N 1 0 259.353 2.335 20 70 CEIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1F ZINC000160302959 165033583 /nfs/dbraw/zinc/03/35/83/165033583.db2.gz LFYPPSYIXVMJEY-BETUJISGSA-N 1 0 262.328 2.101 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCc2c1cnn2C ZINC000160147997 270238364 /nfs/dbraw/zinc/23/83/64/270238364.db2.gz IZRBQIGXLIXCKQ-TZMCWYRMSA-N 1 0 264.417 2.117 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cc(F)ccc31)CC2 ZINC000160305026 274854199 /nfs/dbraw/zinc/85/41/99/274854199.db2.gz KGWZIARZSHVIFB-ZFWWWQNUSA-N 1 0 286.354 2.318 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000160973597 275964400 /nfs/dbraw/zinc/96/44/00/275964400.db2.gz ZLKOWEUQQFOGHU-CYBMUJFWSA-N 1 0 262.353 2.015 20 70 CEIDRO CC(C)c1ccc(OCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160314354 278042091 /nfs/dbraw/zinc/04/20/91/278042091.db2.gz FBXGGJQFTSRQQR-CQSZACIVSA-N 1 0 276.380 2.139 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160221243 295269823 /nfs/dbraw/zinc/26/98/23/295269823.db2.gz VEVUJDBWIKSTCE-OUAUKWLOSA-N 1 0 280.318 2.018 20 70 CEIDRO CCS[C@H]1CCC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000159381244 297428683 /nfs/dbraw/zinc/42/86/83/297428683.db2.gz BNFDCCKEJSTASX-STQMWFEESA-N 1 0 285.457 2.183 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NCC[NH+]2CCCCC2)on1 ZINC000160573260 522027728 /nfs/dbraw/zinc/02/77/28/522027728.db2.gz CPRSQVMZMYWXIE-LBPRGKRZSA-N 1 0 279.384 2.404 20 70 CEIDRO COCC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000160816957 522790755 /nfs/dbraw/zinc/79/07/55/522790755.db2.gz RKQKRRPDMYOFKU-ZDUSSCGKSA-N 1 0 282.428 2.134 20 70 CEIDRO COCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160914169 522795266 /nfs/dbraw/zinc/79/52/66/522795266.db2.gz OWKMGXNYOCNQMJ-HIFRSBDPSA-N 1 0 294.439 2.134 20 70 CEIDRO Cc1cccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160564001 524778037 /nfs/dbraw/zinc/77/80/37/524778037.db2.gz HTOIUSAKQJIPGS-KFWWJZLASA-N 1 0 288.391 2.115 20 70 CEIDRO C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160806374 526265889 /nfs/dbraw/zinc/26/58/89/526265889.db2.gz IBSHFVMFMGVMCU-UONOGXRCSA-N 1 0 279.428 2.445 20 70 CEIDRO c1nc2ccccn2c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000160561656 526609367 /nfs/dbraw/zinc/60/93/67/526609367.db2.gz YXBAILPSUNRJDY-HNNXBMFYSA-N 1 0 284.407 2.252 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(OC)cc1C ZINC000160508291 528946644 /nfs/dbraw/zinc/94/66/44/528946644.db2.gz IWQSLAKNJIBPKB-UHFFFAOYSA-N 1 0 264.369 2.251 20 70 CEIDRO CC[C@H](CC1CCCC1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160494072 529320105 /nfs/dbraw/zinc/32/01/05/529320105.db2.gz GYAAPKJGPKPKEP-KGLIPLIRSA-N 1 0 252.402 2.413 20 70 CEIDRO C[C@H](CC(=O)NCCC1CC[NH+](C)CC1)c1ccncc1 ZINC000159695065 539278195 /nfs/dbraw/zinc/27/81/95/539278195.db2.gz KBEWFSFIVNRSOY-CQSZACIVSA-N 1 0 289.423 2.423 20 70 CEIDRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000159455728 344455070 /nfs/dbraw/zinc/45/50/70/344455070.db2.gz VDGCVKGADNMYOA-RYUDHWBXSA-N 1 0 296.440 2.235 20 70 CEIDRO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000159497114 344455248 /nfs/dbraw/zinc/45/52/48/344455248.db2.gz HUOJCMYGUMMOOU-FZMZJTMJSA-N 1 0 278.421 2.452 20 70 CEIDRO FC(F)(F)c1nnc(N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000160328801 344458309 /nfs/dbraw/zinc/45/83/09/344458309.db2.gz KOXLAUAOURJCHW-LURJTMIESA-N 1 0 278.303 2.206 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNc1cc(C(=O)OC)ccn1 ZINC000218257341 344536306 /nfs/dbraw/zinc/53/63/06/344536306.db2.gz RANBEPFEXOKIMG-NSHDSACASA-N 1 0 265.357 2.010 20 70 CEIDRO O=C(c1ccnc(Cl)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159850875 188445362 /nfs/dbraw/zinc/44/53/62/188445362.db2.gz QZTGFQBRGNZNFP-UHFFFAOYSA-N 1 0 293.798 2.339 20 70 CEIDRO CCCOc1ccc(CCC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160680546 188486172 /nfs/dbraw/zinc/48/61/72/188486172.db2.gz RSEKYWXUXFLMIK-OAHLLOKOSA-N 1 0 290.407 2.228 20 70 CEIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C12CCCC2 ZINC000160621316 188483532 /nfs/dbraw/zinc/48/35/32/188483532.db2.gz RTWFHOPQXCNBOM-SOUVJXGZSA-N 1 0 294.439 2.325 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000161197394 188514460 /nfs/dbraw/zinc/51/44/60/188514460.db2.gz OMTUEHQBGASVFR-JSGCOSHPSA-N 1 0 276.380 2.009 20 70 CEIDRO COc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000161495031 188531151 /nfs/dbraw/zinc/53/11/51/188531151.db2.gz BRSZEBYPONDXPC-NSHDSACASA-N 1 0 282.771 2.107 20 70 CEIDRO CCCn1nccc1CNC[C@@H](C)C[NH+]1CCCC1 ZINC000160142577 540112328 /nfs/dbraw/zinc/11/23/28/540112328.db2.gz WTZILNSKTIWCJD-CQSZACIVSA-N 1 0 264.417 2.115 20 70 CEIDRO CCOc1cc(NCC2([NH+](C)C)CCCC2)nc(C)n1 ZINC000161034730 540131299 /nfs/dbraw/zinc/13/12/99/540131299.db2.gz ULBYTIKYQQSHNV-UHFFFAOYSA-N 1 0 278.400 2.470 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccccc2F)C1 ZINC000161133330 540133820 /nfs/dbraw/zinc/13/38/20/540133820.db2.gz YWTPOXOFBWIOGS-CHWSQXEVSA-N 1 0 264.344 2.144 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000161312080 540136612 /nfs/dbraw/zinc/13/66/12/540136612.db2.gz RZFCAOOCIWNYIK-LSDHHAIUSA-N 1 0 260.381 2.395 20 70 CEIDRO Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161399572 540137422 /nfs/dbraw/zinc/13/74/22/540137422.db2.gz KHOJZLMULQHCJX-OLZOCXBDSA-N 1 0 296.798 2.413 20 70 CEIDRO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161231801 540135201 /nfs/dbraw/zinc/13/52/01/540135201.db2.gz BRXXDQVRMUCYEI-IHRRRGAJSA-N 1 0 270.417 2.214 20 70 CEIDRO C[N@@H+]1CCC[C@@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000217991055 538888593 /nfs/dbraw/zinc/88/85/93/538888593.db2.gz BEZFTUPVUUPUKK-MRVPVSSYSA-N 1 0 260.263 2.002 20 70 CEIDRO CC(C)OC(=O)CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000159376886 366906894 /nfs/dbraw/zinc/90/68/94/366906894.db2.gz HZDUUQQEEABYNR-MCIONIFRSA-N 1 0 298.427 2.096 20 70 CEIDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1 ZINC000159394800 366908562 /nfs/dbraw/zinc/90/85/62/366908562.db2.gz MLYCTXBUBIHMDG-AWEZNQCLSA-N 1 0 296.436 2.376 20 70 CEIDRO CCC1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000159429065 366912352 /nfs/dbraw/zinc/91/23/52/366912352.db2.gz BHXNSVWKQBZVLO-HNNXBMFYSA-N 1 0 290.411 2.038 20 70 CEIDRO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000159456145 366915122 /nfs/dbraw/zinc/91/51/22/366915122.db2.gz JIYMQQVXIOCTMX-IAGOWNOFSA-N 1 0 280.371 2.375 20 70 CEIDRO C[NH+](C)C1(CNc2nc(C(C)(C)C)ns2)CCOCC1 ZINC000159479569 366917879 /nfs/dbraw/zinc/91/78/79/366917879.db2.gz SWQJFVKLQKFCBW-UHFFFAOYSA-N 1 0 298.456 2.358 20 70 CEIDRO CC(C)(C)OC(=O)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000159480736 366918200 /nfs/dbraw/zinc/91/82/00/366918200.db2.gz FDDRJJJJALMQRX-UHFFFAOYSA-N 1 0 298.427 2.356 20 70 CEIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159514941 366920639 /nfs/dbraw/zinc/92/06/39/366920639.db2.gz WHJVGXYNEIEXAL-WQVCFCJDSA-N 1 0 289.375 2.448 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159519717 366923195 /nfs/dbraw/zinc/92/31/95/366923195.db2.gz BOGNYISWLMFCLK-MGPQQGTHSA-N 1 0 290.407 2.055 20 70 CEIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)sc1C ZINC000159575664 366928587 /nfs/dbraw/zinc/92/85/87/366928587.db2.gz DIDAHTPHGCMTNI-TXEJJXNPSA-N 1 0 264.394 2.331 20 70 CEIDRO Cc1ncccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159588074 366930165 /nfs/dbraw/zinc/93/01/65/366930165.db2.gz VKUDBNRKAQNKCF-ZNMIVQPWSA-N 1 0 258.365 2.437 20 70 CEIDRO CC(C)C[C@H]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000159610963 366932854 /nfs/dbraw/zinc/93/28/54/366932854.db2.gz ROUQTQGHAGCEMI-HZPDHXFCSA-N 1 0 274.408 2.451 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)C1=CCCC1)Cc1ccccc1 ZINC000159634120 366934081 /nfs/dbraw/zinc/93/40/81/366934081.db2.gz DXCOIFGASCFJOX-MRXNPFEDSA-N 1 0 272.392 2.386 20 70 CEIDRO Cc1ccc(C(=O)CC[N@H+](C)CCN2CCCC2=O)cc1 ZINC000159655762 366935751 /nfs/dbraw/zinc/93/57/51/366935751.db2.gz YNDHXEVLIXVORA-UHFFFAOYSA-N 1 0 288.391 2.122 20 70 CEIDRO Cc1ccc([C@H](C)CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000159655969 366935782 /nfs/dbraw/zinc/93/57/82/366935782.db2.gz BLPQXCPWQNZDNE-UKRRQHHQSA-N 1 0 260.381 2.357 20 70 CEIDRO c1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159644364 366935808 /nfs/dbraw/zinc/93/58/08/366935808.db2.gz YPLZVPSRBHQRNU-UTUOFQBUSA-N 1 0 250.367 2.190 20 70 CEIDRO NC(=O)[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000159864892 366954522 /nfs/dbraw/zinc/95/45/22/366954522.db2.gz JGRBXTGFBZYDQF-LBPRGKRZSA-N 1 0 287.388 2.117 20 70 CEIDRO Cc1ccc(F)c(OCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000159918572 366959172 /nfs/dbraw/zinc/95/91/72/366959172.db2.gz SAHWXDRVKDTNFP-CYBMUJFWSA-N 1 0 294.370 2.066 20 70 CEIDRO CSc1ccc(O[C@H](C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000159974396 366962361 /nfs/dbraw/zinc/96/23/61/366962361.db2.gz WOQCQQSNNLVZBV-SNVBAGLBSA-N 1 0 282.409 2.029 20 70 CEIDRO C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000159999033 366964177 /nfs/dbraw/zinc/96/41/77/366964177.db2.gz LKZQGULGSLKINL-JSGCOSHPSA-N 1 0 291.439 2.491 20 70 CEIDRO C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000160006388 366965433 /nfs/dbraw/zinc/96/54/33/366965433.db2.gz NVCJUHARSFEKLK-YPMHNXCESA-N 1 0 277.412 2.101 20 70 CEIDRO CC(C)Oc1ccc(Cl)cc1C(=O)NCCC[NH3+] ZINC000160009352 366965682 /nfs/dbraw/zinc/96/56/82/366965682.db2.gz MWEPHRMTEUPXRP-UHFFFAOYSA-N 1 0 270.760 2.206 20 70 CEIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000160113256 366974924 /nfs/dbraw/zinc/97/49/24/366974924.db2.gz DBXNTAAWYXSXGU-UKRRQHHQSA-N 1 0 280.387 2.272 20 70 CEIDRO OCC1(C[NH2+]Cc2cccc3c2OCCCO3)CCCC1 ZINC000160112317 366975086 /nfs/dbraw/zinc/97/50/86/366975086.db2.gz LSHXAVMDICYYEO-UHFFFAOYSA-N 1 0 291.391 2.490 20 70 CEIDRO CC[N@H+](C)CCNC(=O)[C@H](C)Cc1ccccc1F ZINC000160148437 366976894 /nfs/dbraw/zinc/97/68/94/366976894.db2.gz UQKKJCRJGUWRGH-GFCCVEGCSA-N 1 0 266.360 2.072 20 70 CEIDRO CCCCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1 ZINC000160185398 366981352 /nfs/dbraw/zinc/98/13/52/366981352.db2.gz XIKJBTKFVRMVIB-HOCLYGCPSA-N 1 0 290.407 2.365 20 70 CEIDRO CCOC(=O)N1CCC([NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000160203489 366982546 /nfs/dbraw/zinc/98/25/46/366982546.db2.gz OVAJSAFBEAXQFD-CYBMUJFWSA-N 1 0 284.400 2.155 20 70 CEIDRO CCCCCN(CCO)c1nc(C(C)C)nc(N(C)C)n1 ZINC000160300658 366992428 /nfs/dbraw/zinc/99/24/28/366992428.db2.gz PLULCXFFXUNLHM-UHFFFAOYSA-N 1 0 295.431 2.050 20 70 CEIDRO CCCCNC(=O)CC[NH+]1CCN(c2cccs2)CC1 ZINC000160310562 366993654 /nfs/dbraw/zinc/99/36/54/366993654.db2.gz BJLPURYMXUYZSU-UHFFFAOYSA-N 1 0 295.452 2.177 20 70 CEIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000160362732 366999588 /nfs/dbraw/zinc/99/95/88/366999588.db2.gz WSNDDLQIQDHOGH-CABCVRRESA-N 1 0 282.428 2.086 20 70 CEIDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160919862 367043091 /nfs/dbraw/zinc/04/30/91/367043091.db2.gz NAKJRBNEVKCUEY-NSHDSACASA-N 1 0 280.416 2.122 20 70 CEIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161157107 367062752 /nfs/dbraw/zinc/06/27/52/367062752.db2.gz MEHHWZKMOWDMOR-GDBMZVCRSA-N 1 0 274.408 2.384 20 70 CEIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000161174736 367064063 /nfs/dbraw/zinc/06/40/63/367064063.db2.gz AVEUVRVTGAYAPO-MELADBBJSA-N 1 0 282.428 2.086 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161260472 367072585 /nfs/dbraw/zinc/07/25/85/367072585.db2.gz VTSPFQWFTRTVSV-GJZGRUSLSA-N 1 0 292.448 2.204 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000161283508 367074414 /nfs/dbraw/zinc/07/44/14/367074414.db2.gz JAHJUFALVWSTNQ-IUODEOHRSA-N 1 0 278.371 2.215 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cn(-c2ccccc2)nc1C ZINC000161284838 367074779 /nfs/dbraw/zinc/07/47/79/367074779.db2.gz WTASAWDYGQRSFJ-OAHLLOKOSA-N 1 0 298.390 2.005 20 70 CEIDRO CN(C)C1(C[NH2+]CCCNC(=O)OC(C)(C)C)CCCC1 ZINC000160670793 367025873 /nfs/dbraw/zinc/02/58/73/367025873.db2.gz PUYHIKFEINWLIE-UHFFFAOYSA-N 1 0 299.459 2.365 20 70 CEIDRO C[C@@H]([NH2+]CCOCCOc1ccccc1)[C@@H]1CCOC1 ZINC000160733746 367030372 /nfs/dbraw/zinc/03/03/72/367030372.db2.gz ZIVBMGLOLOWTBX-HUUCEWRRSA-N 1 0 279.380 2.097 20 70 CEIDRO CCCc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161329594 367078907 /nfs/dbraw/zinc/07/89/07/367078907.db2.gz RVOSOLNVZJXASY-HNNXBMFYSA-N 1 0 260.381 2.463 20 70 CEIDRO CCCC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000160780819 367033724 /nfs/dbraw/zinc/03/37/24/367033724.db2.gz WWDAEBVYGQTKMN-UONOGXRCSA-N 1 0 252.402 2.461 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1nc(C)sc1C ZINC000161391387 367082489 /nfs/dbraw/zinc/08/24/89/367082489.db2.gz YOYYXEQQBUBBIY-SNVBAGLBSA-N 1 0 283.441 2.149 20 70 CEIDRO CC[C@@H](C(=O)NCc1csc(-c2ccco2)n1)[NH+](C)C ZINC000161379356 367082847 /nfs/dbraw/zinc/08/28/47/367082847.db2.gz PNGMMYSWAOFRSH-NSHDSACASA-N 1 0 293.392 2.360 20 70 CEIDRO CC[C@H](COC)[NH2+]CCc1cc(OC)ccc1OC ZINC000161437686 367086385 /nfs/dbraw/zinc/08/63/85/367086385.db2.gz JSMJEQHUEWJTDY-CYBMUJFWSA-N 1 0 267.369 2.261 20 70 CEIDRO c1cc2c(c(CN[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c1)OCO2 ZINC000218480673 370210166 /nfs/dbraw/zinc/21/01/66/370210166.db2.gz PJEXWCWZAIHOGK-KGLIPLIRSA-N 1 0 274.364 2.132 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(NC(C)=O)cc1 ZINC000217370819 370194850 /nfs/dbraw/zinc/19/48/50/370194850.db2.gz QAOOESOIQMPWQI-ZDUSSCGKSA-N 1 0 277.412 2.465 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC000217858714 370201903 /nfs/dbraw/zinc/20/19/03/370201903.db2.gz YYVXRJMUJWAYPG-OAHLLOKOSA-N 1 0 276.405 2.438 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cn2ccccc2n1 ZINC000218318824 370208745 /nfs/dbraw/zinc/20/87/45/370208745.db2.gz HQHHEEONUZMVSO-ZDUSSCGKSA-N 1 0 260.385 2.154 20 70 CEIDRO CC1CCN(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000160512869 395060957 /nfs/dbraw/zinc/06/09/57/395060957.db2.gz JEXLLKFJFMOLJT-UHFFFAOYSA-N 1 0 279.428 2.399 20 70 CEIDRO Cc1ccc(C(=O)CC[N@@H+](C)C2(C(N)=O)CCCC2)cc1 ZINC000161050763 400283799 /nfs/dbraw/zinc/28/37/99/400283799.db2.gz HPWMGZMSFJFBLZ-UHFFFAOYSA-N 1 0 288.391 2.298 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc2c1OCO2 ZINC000217388856 153298736 /nfs/dbraw/zinc/29/87/36/153298736.db2.gz UERXVZBBNTXYIS-GFCCVEGCSA-N 1 0 264.369 2.235 20 70 CEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cccn2)n1 ZINC000159710323 162313896 /nfs/dbraw/zinc/31/38/96/162313896.db2.gz CNFQUHWUZOLHPP-HNNXBMFYSA-N 1 0 256.353 2.424 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159773240 162313949 /nfs/dbraw/zinc/31/39/49/162313949.db2.gz YIAHBILBEHKJCI-ZWNOBZJWSA-N 1 0 282.359 2.083 20 70 CEIDRO CC[C@@]1(C)C[C@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159809841 162315928 /nfs/dbraw/zinc/31/59/28/162315928.db2.gz SREPCSQZHHOAMC-HOCLYGCPSA-N 1 0 264.413 2.413 20 70 CEIDRO CN(C(=O)c1cccc(OC(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159837312 162317088 /nfs/dbraw/zinc/31/70/88/162317088.db2.gz OUWFPZTVBKHMOI-LBPRGKRZSA-N 1 0 284.306 2.097 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)NCc2ccccc2F)CC1 ZINC000160012243 162318074 /nfs/dbraw/zinc/31/80/74/162318074.db2.gz PGQSECSLRISKAH-UHFFFAOYSA-N 1 0 293.386 2.453 20 70 CEIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CCOCC2)n1 ZINC000160137349 162321933 /nfs/dbraw/zinc/32/19/33/162321933.db2.gz CBAOJJZCAMVZOA-QGZVFWFLSA-N 1 0 289.423 2.249 20 70 CEIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000160053253 162322455 /nfs/dbraw/zinc/32/24/55/162322455.db2.gz BFWMWDJQCFKUFT-KGLIPLIRSA-N 1 0 252.402 2.365 20 70 CEIDRO OCC1(C[NH2+]C2CCN(c3ccccn3)CC2)CCCC1 ZINC000160085515 162322564 /nfs/dbraw/zinc/32/25/64/162322564.db2.gz QBGZHLOYAURBNX-UHFFFAOYSA-N 1 0 289.423 2.193 20 70 CEIDRO CC(C)n1cc2cc(NC(=O)C(C)(C)[NH3+])ccc2n1 ZINC000160068366 162323026 /nfs/dbraw/zinc/32/30/26/162323026.db2.gz ACPRETURCYVMIF-UHFFFAOYSA-N 1 0 260.341 2.293 20 70 CEIDRO C[C@H]([NH2+]CCC(C)(C)O)c1cn(-c2ccccc2)nn1 ZINC000160136371 162323643 /nfs/dbraw/zinc/32/36/43/162323643.db2.gz BJFBXTVRHZBFER-LBPRGKRZSA-N 1 0 274.368 2.079 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000160374959 162327088 /nfs/dbraw/zinc/32/70/88/162327088.db2.gz UZMATKONBXHUOF-DZGCQCFKSA-N 1 0 290.407 2.385 20 70 CEIDRO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(O)CCC1)CC2 ZINC000159557549 274124563 /nfs/dbraw/zinc/12/45/63/274124563.db2.gz YUUKQYNSBDLXTQ-AWEZNQCLSA-N 1 0 261.365 2.057 20 70 CEIDRO CCN(CC[NH2+]Cc1ccccc1NC(C)=O)C1CC1 ZINC000160380449 276130734 /nfs/dbraw/zinc/13/07/34/276130734.db2.gz IQVGWXCWCMVNGA-UHFFFAOYSA-N 1 0 275.396 2.219 20 70 CEIDRO CC(C)[C@@H]([NH3+])CNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000216997420 280209053 /nfs/dbraw/zinc/20/90/53/280209053.db2.gz UHFRHCIBUTYFBT-UJZCVKTISA-N 1 0 266.772 2.453 20 70 CEIDRO COCCC1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159399395 297428626 /nfs/dbraw/zinc/42/86/26/297428626.db2.gz UPNHUPAVKPJIAE-CQSZACIVSA-N 1 0 282.428 2.041 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2cc(C(C)C)ccc2C)C1 ZINC000160554115 297438444 /nfs/dbraw/zinc/43/84/44/297438444.db2.gz LJIGFSCDIDOQPR-OAHLLOKOSA-N 1 0 290.407 2.318 20 70 CEIDRO CS[C@H](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000160607379 297438632 /nfs/dbraw/zinc/43/86/32/297438632.db2.gz OEJGGZPSBMYPFR-UKRRQHHQSA-N 1 0 294.464 2.417 20 70 CEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000161313408 297443311 /nfs/dbraw/zinc/44/33/11/297443311.db2.gz JRMOGSXKLNLGEE-CYBMUJFWSA-N 1 0 263.385 2.127 20 70 CEIDRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000160198969 312637020 /nfs/dbraw/zinc/63/70/20/312637020.db2.gz PLXCVADYFQCUOR-AWEZNQCLSA-N 1 0 282.428 2.038 20 70 CEIDRO CC(C)(C)c1cnc(CNC(=O)[C@@H]([NH3+])c2ccccc2)o1 ZINC000160639422 519072533 /nfs/dbraw/zinc/07/25/33/519072533.db2.gz OWUPSCLVMMQOPC-AWEZNQCLSA-N 1 0 287.363 2.288 20 70 CEIDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2cnccn2)n1 ZINC000160790309 519902420 /nfs/dbraw/zinc/90/24/20/519902420.db2.gz YQQUXBQGALSACD-LLVKDONJSA-N 1 0 275.356 2.266 20 70 CEIDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cnn(C)c1 ZINC000160461217 522632632 /nfs/dbraw/zinc/63/26/32/522632632.db2.gz FJFQLWULOMEHEA-XBFCOCLRSA-N 1 0 251.374 2.012 20 70 CEIDRO COC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160394213 522831115 /nfs/dbraw/zinc/83/11/15/522831115.db2.gz WENUHXLJYDXPJS-ZDUSSCGKSA-N 1 0 259.353 2.193 20 70 CEIDRO COc1ccc(CCNC(=O)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000160604050 523967421 /nfs/dbraw/zinc/96/74/21/523967421.db2.gz SAOSALAADDEKHO-LBPRGKRZSA-N 1 0 296.798 2.007 20 70 CEIDRO C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000160570907 524177517 /nfs/dbraw/zinc/17/75/17/524177517.db2.gz QSHLLEYEODIXKL-KBPBESRZSA-N 1 0 252.402 2.415 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000160379970 524752626 /nfs/dbraw/zinc/75/26/26/524752626.db2.gz VMGDOCNVIFJQOV-KGLIPLIRSA-N 1 0 288.391 2.153 20 70 CEIDRO CCCC(O)(CCC)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000161386155 528003198 /nfs/dbraw/zinc/00/31/98/528003198.db2.gz KOEKLAJDFVYVCC-UHFFFAOYSA-N 1 0 284.444 2.262 20 70 CEIDRO CCCCOCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000160285402 528587742 /nfs/dbraw/zinc/58/77/42/528587742.db2.gz CPCLKCUFQFEGSH-ZIAGYGMSSA-N 1 0 291.457 2.139 20 70 CEIDRO CCOCCC1(C(=O)NC[C@H]2CCC[N@@H+]2CC)CCC1 ZINC000160699008 528605466 /nfs/dbraw/zinc/60/54/66/528605466.db2.gz FBJJRBDKDIWXNR-CQSZACIVSA-N 1 0 282.428 2.184 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CCn1ccnc1C(C)C ZINC000160499217 528925340 /nfs/dbraw/zinc/92/53/40/528925340.db2.gz PLHXATVTCHXRMX-UHFFFAOYSA-N 1 0 280.416 2.030 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1csc(C2CC2)n1 ZINC000160437824 528946682 /nfs/dbraw/zinc/94/66/82/528946682.db2.gz GHBNNNGSXVBFEZ-UHFFFAOYSA-N 1 0 267.398 2.268 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000161297285 534936114 /nfs/dbraw/zinc/93/61/14/534936114.db2.gz UAFVMUUZXACVPM-UHFFFAOYSA-N 1 0 291.395 2.219 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)CC2 ZINC000160436270 282125647 /nfs/dbraw/zinc/12/56/47/282125647.db2.gz LFCZZPRKFQEZEU-CMPLNLGQSA-N 1 0 282.457 2.411 20 70 CEIDRO COCC[N@H+](CCC[NH+]1CCCCC1)CC(C)C ZINC000160581557 232252073 /nfs/dbraw/zinc/25/20/73/232252073.db2.gz YLSCETOLMKCBHK-UHFFFAOYSA-N 1 0 256.434 2.467 20 70 CEIDRO Cc1cccc([C@@H](C)CNC(=O)C[NH2+]CC2CC2)c1 ZINC000160735571 232252939 /nfs/dbraw/zinc/25/29/39/232252939.db2.gz PXGOKKOLTDMWCP-ZDUSSCGKSA-N 1 0 260.381 2.214 20 70 CEIDRO Cc1cc(NCCNC(=O)OC(C)(C)C)cc[nH+]1 ZINC000160166757 188457799 /nfs/dbraw/zinc/45/77/99/188457799.db2.gz OBRSRAREMZVGJY-UHFFFAOYSA-N 1 0 251.330 2.327 20 70 CEIDRO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCCC[NH3+])c1 ZINC000160177245 188458949 /nfs/dbraw/zinc/45/89/49/188458949.db2.gz YXDPQFJUUNOSSB-UHFFFAOYSA-N 1 0 297.786 2.013 20 70 CEIDRO CC(C)(O)CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000160280568 188463717 /nfs/dbraw/zinc/46/37/17/188463717.db2.gz DDMFSYPPZPNLHQ-MRXNPFEDSA-N 1 0 277.408 2.481 20 70 CEIDRO CCc1noc2ncc(C(=O)NCC([NH3+])(CC)CC)cc12 ZINC000160418553 188472124 /nfs/dbraw/zinc/47/21/24/188472124.db2.gz OJSZJWZFCOOUCR-UHFFFAOYSA-N 1 0 290.367 2.033 20 70 CEIDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160188006 540112910 /nfs/dbraw/zinc/11/29/10/540112910.db2.gz AJKPQIIRWKRJRR-OAHLLOKOSA-N 1 0 281.396 2.058 20 70 CEIDRO Cc1oc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161328518 540136854 /nfs/dbraw/zinc/13/68/54/540136854.db2.gz JDYKVGWKNGWGJW-NEPJUHHUSA-N 1 0 250.342 2.205 20 70 CEIDRO Cc1nc(CCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000161195133 540135300 /nfs/dbraw/zinc/13/53/00/540135300.db2.gz WFOSTWQHFOFART-RYUDHWBXSA-N 1 0 281.425 2.160 20 70 CEIDRO CCCN(CCC)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000159979798 283207346 /nfs/dbraw/zinc/20/73/46/283207346.db2.gz KBTPLBWOSQAKFF-HEHGZKQESA-N 1 0 282.428 2.168 20 70 CEIDRO C[C@H](c1ccccn1)N1CC[NH+](CCCF)CC1 ZINC000159806730 540431960 /nfs/dbraw/zinc/43/19/60/540431960.db2.gz QWOKVQWSIIHPEW-CYBMUJFWSA-N 1 0 251.349 2.120 20 70 CEIDRO Cc1c(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000159984366 540441508 /nfs/dbraw/zinc/44/15/08/540441508.db2.gz VREMXQYOTOSKRA-HNNXBMFYSA-N 1 0 284.407 2.345 20 70 CEIDRO COC1CC[NH+](CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000161054892 540713481 /nfs/dbraw/zinc/71/34/81/540713481.db2.gz BXCYVTSNSXSHGY-UHFFFAOYSA-N 1 0 296.455 2.430 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000159678621 366939224 /nfs/dbraw/zinc/93/92/24/366939224.db2.gz YCOFBCKPILCOTB-PWSUYJOCSA-N 1 0 293.436 2.496 20 70 CEIDRO C[N@H+](CCCNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000159692794 366940061 /nfs/dbraw/zinc/94/00/61/366940061.db2.gz IEWLQPSWLICHCJ-UHFFFAOYSA-N 1 0 260.381 2.425 20 70 CEIDRO Cc1ncc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159465011 366916479 /nfs/dbraw/zinc/91/64/79/366916479.db2.gz TXOKSCYRSKDGPH-XQQFMLRXSA-N 1 0 264.394 2.499 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000159503296 366919680 /nfs/dbraw/zinc/91/96/80/366919680.db2.gz UOKXUMVCOVHXIE-WOPDTQHZSA-N 1 0 298.814 2.218 20 70 CEIDRO CCc1nc(CC(=O)NCC2([NH3+])CCCCC2)cs1 ZINC000159535553 366924612 /nfs/dbraw/zinc/92/46/12/366924612.db2.gz KQHOKHBUEKQLCQ-UHFFFAOYSA-N 1 0 281.425 2.026 20 70 CEIDRO COCCC1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000159583824 366929532 /nfs/dbraw/zinc/92/95/32/366929532.db2.gz GNRGWHRPHZWUBY-RHSMWYFYSA-N 1 0 296.455 2.430 20 70 CEIDRO CC(C)OCCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159636580 366933939 /nfs/dbraw/zinc/93/39/39/366933939.db2.gz ARODQPIBDAXWTD-UHFFFAOYSA-N 1 0 270.417 2.230 20 70 CEIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(-n2cnnn2)cc1 ZINC000159637011 366934215 /nfs/dbraw/zinc/93/42/15/366934215.db2.gz IVUKLVHSMXDWFI-YPMHNXCESA-N 1 0 289.408 2.209 20 70 CEIDRO CC[N@H+](CCn1ccnc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000159833721 366953477 /nfs/dbraw/zinc/95/34/77/366953477.db2.gz VDGGYFIXNLJBPA-INIZCTEOSA-N 1 0 298.390 2.011 20 70 CEIDRO CCC[N@H+](CC)CCNC(=O)NCC1(C2CC2)CC1 ZINC000159963202 366962011 /nfs/dbraw/zinc/96/20/11/366962011.db2.gz NJKXUJGAYFBTKG-UHFFFAOYSA-N 1 0 267.417 2.208 20 70 CEIDRO CC(C)c1ccccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160082239 366971694 /nfs/dbraw/zinc/97/16/94/366971694.db2.gz LRYHMPXFYIXWHX-INIZCTEOSA-N 1 0 289.423 2.418 20 70 CEIDRO CC(C)(C)c1ccc(/C=C/C(=O)NCCC[NH3+])cc1 ZINC000160073271 366971967 /nfs/dbraw/zinc/97/19/67/366971967.db2.gz PZWOITOTYRQFRK-JXMROGBWSA-N 1 0 260.381 2.462 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000160206356 366982692 /nfs/dbraw/zinc/98/26/92/366982692.db2.gz TUOLEHVZUAJVEU-VIFPVBQESA-N 1 0 272.801 2.284 20 70 CEIDRO Cc1cccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000160222107 366983395 /nfs/dbraw/zinc/98/33/95/366983395.db2.gz FEXUQXVCOFMQOU-GDBMZVCRSA-N 1 0 262.397 2.102 20 70 CEIDRO Cc1cccc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000160222007 366984252 /nfs/dbraw/zinc/98/42/52/366984252.db2.gz FEXUQXVCOFMQOU-ZBFHGGJFSA-N 1 0 262.397 2.102 20 70 CEIDRO CCC[N@H+](CC)CCNc1nc(C(C)C)nc(N(C)C)n1 ZINC000160283725 366990796 /nfs/dbraw/zinc/99/07/96/366990796.db2.gz VNQHGKXSRAOPII-UHFFFAOYSA-N 1 0 294.447 2.205 20 70 CEIDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)O ZINC000160615058 367022689 /nfs/dbraw/zinc/02/26/89/367022689.db2.gz JEACVXGXNRDMCY-LBPRGKRZSA-N 1 0 278.396 2.327 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000160527471 367013429 /nfs/dbraw/zinc/01/34/29/367013429.db2.gz ZYDLFEDCRRGPSS-UHFFFAOYSA-N 1 0 286.379 2.324 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1OCC1CC1 ZINC000160526924 367013911 /nfs/dbraw/zinc/01/39/11/367013911.db2.gz KWPZHRZWXNWEBR-LLVKDONJSA-N 1 0 262.353 2.269 20 70 CEIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(=O)NC(C)C ZINC000160927783 367044151 /nfs/dbraw/zinc/04/41/51/367044151.db2.gz JPOLXBHTVPGXPH-AWEZNQCLSA-N 1 0 276.380 2.323 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000160955970 367046023 /nfs/dbraw/zinc/04/60/23/367046023.db2.gz UBTFTYMANGIYIR-HNNXBMFYSA-N 1 0 291.395 2.119 20 70 CEIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cnn(C)c1 ZINC000161018641 367049553 /nfs/dbraw/zinc/04/95/53/367049553.db2.gz KNFJHIFUPVUOLM-IUODEOHRSA-N 1 0 259.353 2.194 20 70 CEIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CCC[NH3+])cc1 ZINC000161103809 367057743 /nfs/dbraw/zinc/05/77/43/367057743.db2.gz HCMJCNFKGMLMGX-DOTOQJQBSA-N 1 0 290.407 2.318 20 70 CEIDRO Cc1cc(NC(=O)[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000161118065 367059210 /nfs/dbraw/zinc/05/92/10/367059210.db2.gz HVGKZBVLSGTHSC-MRVPVSSYSA-N 1 0 276.258 2.222 20 70 CEIDRO CCc1ncc(NC(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000161159450 367061854 /nfs/dbraw/zinc/06/18/54/367061854.db2.gz WYCMZYAJOKOSHU-UHFFFAOYSA-N 1 0 291.399 2.035 20 70 CEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)Oc1ccccc1C ZINC000161173369 367063961 /nfs/dbraw/zinc/06/39/61/367063961.db2.gz GPYPIBOUNBJYEF-NJZAAPMLSA-N 1 0 278.396 2.252 20 70 CEIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(OCC)c1 ZINC000161212236 367069297 /nfs/dbraw/zinc/06/92/97/367069297.db2.gz QFKWNSCSRNSUIP-UHFFFAOYSA-N 1 0 267.369 2.298 20 70 CEIDRO CCC[N@H+](CCO)Cc1ccc(OCC)c(OC)c1 ZINC000161232513 367070442 /nfs/dbraw/zinc/07/04/42/367070442.db2.gz DDLXGYUTWMGRGH-UHFFFAOYSA-N 1 0 267.369 2.298 20 70 CEIDRO COc1ccnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161298757 367076206 /nfs/dbraw/zinc/07/62/06/367076206.db2.gz JMIPJYVMGJVQGS-CYBMUJFWSA-N 1 0 278.400 2.265 20 70 CEIDRO CC[NH2+]CCNCc1csc(Br)c1 ZINC000161305567 367077161 /nfs/dbraw/zinc/07/71/61/367077161.db2.gz GCVAIQGXKRULMO-UHFFFAOYSA-N 1 0 263.204 2.210 20 70 CEIDRO CC[C@H]([NH2+]CCCC(N)=O)c1ccc(F)cc1F ZINC000160756114 367031627 /nfs/dbraw/zinc/03/16/27/367031627.db2.gz ALFSMUGSXZVFSF-LBPRGKRZSA-N 1 0 256.296 2.271 20 70 CEIDRO Cc1nccn1CCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161465173 367089385 /nfs/dbraw/zinc/08/93/85/367089385.db2.gz HSXBNHIECVZGNO-LBPRGKRZSA-N 1 0 251.374 2.081 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000217845034 370201964 /nfs/dbraw/zinc/20/19/64/370201964.db2.gz BOVJSPHFMDAARI-OAHLLOKOSA-N 1 0 291.420 2.076 20 70 CEIDRO CCS[C@@H]1CCCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000159767160 395059485 /nfs/dbraw/zinc/05/94/85/395059485.db2.gz BAOGIZUBUVXOOR-VXGBXAGGSA-N 1 0 290.498 2.201 20 70 CEIDRO CC[C@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159618298 395059607 /nfs/dbraw/zinc/05/96/07/395059607.db2.gz GKVKGDVWBXCDSU-WFASDCNBSA-N 1 0 258.365 2.132 20 70 CEIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000160053518 395060213 /nfs/dbraw/zinc/06/02/13/395060213.db2.gz BFWMWDJQCFKUFT-ZIAGYGMSSA-N 1 0 252.402 2.365 20 70 CEIDRO C[C@@H]1C[C@H](NC(=O)N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159961997 395060391 /nfs/dbraw/zinc/06/03/91/395060391.db2.gz BDNFINFDALDPFV-HIFRSBDPSA-N 1 0 287.407 2.453 20 70 CEIDRO CC(C)n1ccnc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000160789551 395061987 /nfs/dbraw/zinc/06/19/87/395061987.db2.gz RUPONRODKJVZED-CYBMUJFWSA-N 1 0 263.385 2.465 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000160706318 395062049 /nfs/dbraw/zinc/06/20/49/395062049.db2.gz HKKRFUNASXCQAW-HUUCEWRRSA-N 1 0 279.428 2.254 20 70 CEIDRO C[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)c2ccc(F)cc2O1 ZINC000161104759 395063394 /nfs/dbraw/zinc/06/33/94/395063394.db2.gz GBUMUVZRECKOQR-CMPLNLGQSA-N 1 0 278.327 2.082 20 70 CEIDRO CS[C@@H](C)CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000159786097 297430707 /nfs/dbraw/zinc/43/07/07/297430707.db2.gz FUTIJYUFSUSNEP-OLZOCXBDSA-N 1 0 287.473 2.158 20 70 CEIDRO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000217146595 400306795 /nfs/dbraw/zinc/30/67/95/400306795.db2.gz KERABBGWRYFTQY-GDBMZVCRSA-N 1 0 295.471 2.192 20 70 CEIDRO CCc1ncnc(NCC[N@@H+](CC)C2CC2)c1F ZINC000218001993 153297909 /nfs/dbraw/zinc/29/79/09/153297909.db2.gz BSLSXIAUILPOFQ-UHFFFAOYSA-N 1 0 252.337 2.074 20 70 CEIDRO CSc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160186649 286727899 /nfs/dbraw/zinc/72/78/99/286727899.db2.gz PINTZEDDEQVHKW-VXGBXAGGSA-N 1 0 294.420 2.126 20 70 CEIDRO CC(C)Cc1ncc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)s1 ZINC000159708630 162314180 /nfs/dbraw/zinc/31/41/80/162314180.db2.gz ZNZWVCTXLFOTAR-NEPJUHHUSA-N 1 0 295.452 2.427 20 70 CEIDRO CC(C)(C)[NH2+]CCNC(=O)c1ccn(C2CCCC2)n1 ZINC000159807969 162317075 /nfs/dbraw/zinc/31/70/75/162317075.db2.gz PYUFLLWLZOJOGX-UHFFFAOYSA-N 1 0 278.400 2.116 20 70 CEIDRO CO[C@@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CCOC1 ZINC000160097606 162322624 /nfs/dbraw/zinc/32/26/24/162322624.db2.gz CHAFKAODDOLDMY-MRXNPFEDSA-N 1 0 261.365 2.459 20 70 CEIDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160327656 162326941 /nfs/dbraw/zinc/32/69/41/162326941.db2.gz QGQMPTLYVQXTKR-GASCZTMLSA-N 1 0 272.392 2.317 20 70 CEIDRO CC(C)c1ccc(N(C)C(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000161461456 162327858 /nfs/dbraw/zinc/32/78/58/162327858.db2.gz WAILDERQNZHOEM-OAHLLOKOSA-N 1 0 264.344 2.474 20 70 CEIDRO CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)[NH+](C)C ZINC000159861894 276406188 /nfs/dbraw/zinc/40/61/88/276406188.db2.gz RJNXNTFEGLQOOQ-HNNXBMFYSA-N 1 0 278.396 2.084 20 70 CEIDRO C[C@]([NH3+])(C(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000159793268 278552971 /nfs/dbraw/zinc/55/29/71/278552971.db2.gz HWWUPXQHWSAFPF-DVOMOZLQSA-N 1 0 258.365 2.119 20 70 CEIDRO C[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC[C@H]1[NH3+] ZINC000160208177 300116857 /nfs/dbraw/zinc/11/68/57/300116857.db2.gz XXKBRAKEANVUHY-IGRMKNIWSA-N 1 0 276.424 2.254 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000161176780 312644052 /nfs/dbraw/zinc/64/40/52/312644052.db2.gz BJWMAXUXNNOJLS-ZFWWWQNUSA-N 1 0 284.444 2.332 20 70 CEIDRO CC(C)OC(=O)CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000159376628 519744279 /nfs/dbraw/zinc/74/42/79/519744279.db2.gz HZDUUQQEEABYNR-MJBXVCDLSA-N 1 0 298.427 2.096 20 70 CEIDRO C[NH+](C)C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159465236 521848833 /nfs/dbraw/zinc/84/88/33/521848833.db2.gz HLRGDCKVIWEHSX-JTQLQIEISA-N 1 0 268.430 2.224 20 70 CEIDRO COC(CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OC ZINC000160751297 522534829 /nfs/dbraw/zinc/53/48/29/522534829.db2.gz WLRMESUUTRUTQW-OAHLLOKOSA-N 1 0 284.444 2.049 20 70 CEIDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cncc(Br)c1 ZINC000160594820 524637516 /nfs/dbraw/zinc/63/75/16/524637516.db2.gz CPTSYLLELXLLSF-BDAKNGLRSA-N 1 0 273.174 2.093 20 70 CEIDRO C[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)[C@@H]1CCOC1 ZINC000160564758 525384429 /nfs/dbraw/zinc/38/44/29/525384429.db2.gz OCDNZRYJFODTHD-XQQFMLRXSA-N 1 0 274.364 2.127 20 70 CEIDRO CSCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160371585 525463865 /nfs/dbraw/zinc/46/38/65/525463865.db2.gz RSOGRRSAGRFPJT-CQSZACIVSA-N 1 0 299.484 2.399 20 70 CEIDRO Oc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159476190 526361321 /nfs/dbraw/zinc/36/13/21/526361321.db2.gz PGFIMIODQMIPNV-KFWWJZLASA-N 1 0 259.349 2.439 20 70 CEIDRO O=C([C@@H]1CCCC[N@@H+]1CCC1CCCC1)N1CCOCC1 ZINC000160391693 526466601 /nfs/dbraw/zinc/46/66/01/526466601.db2.gz JZQDZXXGOKJRRQ-INIZCTEOSA-N 1 0 294.439 2.280 20 70 CEIDRO Cc1nc2ccccn2c1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000160400712 527177802 /nfs/dbraw/zinc/17/78/02/527177802.db2.gz ZZQIDKGTBVSEGX-AWEZNQCLSA-N 1 0 272.396 2.026 20 70 CEIDRO CC(C)S(=O)(=O)CCC[N@H+](C)C1CCCCC1 ZINC000160468294 528295849 /nfs/dbraw/zinc/29/58/49/528295849.db2.gz FDXJDWJYRYORMX-UHFFFAOYSA-N 1 0 261.431 2.464 20 70 CEIDRO CCCCOCCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000160285149 528586816 /nfs/dbraw/zinc/58/68/16/528586816.db2.gz CPCLKCUFQFEGSH-KGLIPLIRSA-N 1 0 291.457 2.139 20 70 CEIDRO CCCn1nccc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000160112283 539273279 /nfs/dbraw/zinc/27/32/79/539273279.db2.gz UUGHMASZBGGMIE-AWEZNQCLSA-N 1 0 264.417 2.113 20 70 CEIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161505460 344464304 /nfs/dbraw/zinc/46/43/04/344464304.db2.gz ISHTTZUXZQARLW-HNNXBMFYSA-N 1 0 292.379 2.181 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000160736256 290835075 /nfs/dbraw/zinc/83/50/75/290835075.db2.gz MBOPYIUXDLWNHW-HNNXBMFYSA-N 1 0 272.392 2.319 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000160477601 188475476 /nfs/dbraw/zinc/47/54/76/188475476.db2.gz BCTJEKIPKWRCPX-RYUDHWBXSA-N 1 0 287.363 2.374 20 70 CEIDRO C[C@@H](CCCO)[NH2+]Cc1cncc(Br)c1 ZINC000160588430 188482388 /nfs/dbraw/zinc/48/23/88/188482388.db2.gz HMLFBUFCHVVVPX-VIFPVBQESA-N 1 0 273.174 2.095 20 70 CEIDRO CC(C)[NH+](CCSCc1nccc(N)n1)C(C)C ZINC000161104527 188508722 /nfs/dbraw/zinc/50/87/22/188508722.db2.gz NZJIMBUKZDATGH-UHFFFAOYSA-N 1 0 268.430 2.411 20 70 CEIDRO O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000161260006 188518491 /nfs/dbraw/zinc/51/84/91/188518491.db2.gz GHDIOZGHZNEFHX-HOTGVXAUSA-N 1 0 272.392 2.124 20 70 CEIDRO C[C@@]1(C(=O)NCCOc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000161468796 188529389 /nfs/dbraw/zinc/52/93/89/188529389.db2.gz VBMPLUWXGFCWAI-OAHLLOKOSA-N 1 0 296.798 2.225 20 70 CEIDRO CN(C(=O)CCc1c[nH]c2ccccc12)[C@H](C[NH3+])C1CC1 ZINC000159830709 540103712 /nfs/dbraw/zinc/10/37/12/540103712.db2.gz USTBPQKZUFRFDA-MRXNPFEDSA-N 1 0 285.391 2.296 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000159596459 540099519 /nfs/dbraw/zinc/09/95/19/540099519.db2.gz UCKQYVZZNBDJKS-ZYHUDNBSSA-N 1 0 278.318 2.033 20 70 CEIDRO CCCn1nccc1CNCC[N@H+](C)C1CCCC1 ZINC000160145098 540112376 /nfs/dbraw/zinc/11/23/76/540112376.db2.gz LJHCGKNXMTXMAC-UHFFFAOYSA-N 1 0 264.417 2.257 20 70 CEIDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160188115 540113013 /nfs/dbraw/zinc/11/30/13/540113013.db2.gz AJKPQIIRWKRJRR-HNNXBMFYSA-N 1 0 281.396 2.058 20 70 CEIDRO Cc1ccccc1C1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000161045275 540131836 /nfs/dbraw/zinc/13/18/36/540131836.db2.gz OBBVHLPSDLHNIT-KBPBESRZSA-N 1 0 272.392 2.413 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000161070912 540132471 /nfs/dbraw/zinc/13/24/71/540132471.db2.gz ZLJNHBIDBHZICV-STQMWFEESA-N 1 0 258.365 2.175 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000161314105 540136407 /nfs/dbraw/zinc/13/64/07/540136407.db2.gz NARNBTKQCUTGQQ-UWVGGRQHSA-N 1 0 290.392 2.138 20 70 CEIDRO CC(C)Oc1cccc(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161298106 540136701 /nfs/dbraw/zinc/13/67/01/540136701.db2.gz SOQPPJUCMQJNHL-LSDHHAIUSA-N 1 0 290.407 2.402 20 70 CEIDRO Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000161457663 540138118 /nfs/dbraw/zinc/13/81/18/540138118.db2.gz MXLZNNBCYLCQFX-VHSXEESVSA-N 1 0 268.307 2.273 20 70 CEIDRO C[C@@H](c1ccccn1)N1CC[NH+](CCCF)CC1 ZINC000159806600 540431924 /nfs/dbraw/zinc/43/19/24/540431924.db2.gz QWOKVQWSIIHPEW-ZDUSSCGKSA-N 1 0 251.349 2.120 20 70 CEIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H](C)c1ccncc1 ZINC000160743026 540649621 /nfs/dbraw/zinc/64/96/21/540649621.db2.gz MRHRJNJEVVPQEK-GDBMZVCRSA-N 1 0 289.423 2.374 20 70 CEIDRO O=C(NC1CC1)[C@H]([NH2+]C1CC=CC1)c1ccc(F)cc1 ZINC000160894927 540678103 /nfs/dbraw/zinc/67/81/03/540678103.db2.gz AQSRHNFUHATALY-OAHLLOKOSA-N 1 0 274.339 2.454 20 70 CEIDRO CS(=O)(=O)CCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000161331370 540780100 /nfs/dbraw/zinc/78/01/00/540780100.db2.gz ZCDJQJCFBPWOFC-UHFFFAOYSA-N 1 0 281.421 2.476 20 70 CEIDRO Cc1ccc(NC(=O)NC[C@H](c2ccco2)N(C)C)cn1 ZINC000161405191 540816330 /nfs/dbraw/zinc/81/63/30/540816330.db2.gz UYHBGWOZLPOZDK-CYBMUJFWSA-N 1 0 288.351 2.407 20 70 CEIDRO O=C(N[C@H]1CCC[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000159722101 366943356 /nfs/dbraw/zinc/94/33/56/366943356.db2.gz CKDHHCYFXQHHPM-PMPSAXMXSA-N 1 0 272.392 2.439 20 70 CEIDRO CN(C)c1ccccc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159744290 366945228 /nfs/dbraw/zinc/94/52/28/366945228.db2.gz YQRFJBBAWXQLIK-HOCLYGCPSA-N 1 0 262.397 2.345 20 70 CEIDRO CC[N@@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159398590 366908935 /nfs/dbraw/zinc/90/89/35/366908935.db2.gz QEEQAVLORHGKLF-UHFFFAOYSA-N 1 0 268.430 2.368 20 70 CEIDRO CCN(CC[NH2+][C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000159450837 366914130 /nfs/dbraw/zinc/91/41/30/366914130.db2.gz WOKJGTALIZIFCC-LLVKDONJSA-N 1 0 274.430 2.339 20 70 CEIDRO CC[C@H]([NH3+])C(=O)NCC1(c2cccc(OC)c2)CCCC1 ZINC000159477510 366918259 /nfs/dbraw/zinc/91/82/59/366918259.db2.gz AJJYAXCPRBYXHT-HNNXBMFYSA-N 1 0 290.407 2.361 20 70 CEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnc(C(C)C)s2)C1 ZINC000159546888 366925452 /nfs/dbraw/zinc/92/54/52/366925452.db2.gz WANVZMLLGPSMGG-NSHDSACASA-N 1 0 281.425 2.338 20 70 CEIDRO CCC[C@H](O)C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000159559101 366925853 /nfs/dbraw/zinc/92/58/53/366925853.db2.gz WSFJUEDVLMSVST-GJZGRUSLSA-N 1 0 263.381 2.303 20 70 CEIDRO FC(F)n1ccnc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159576657 366928554 /nfs/dbraw/zinc/92/85/54/366928554.db2.gz SJFSGENHYPNUQE-DLOVCJGASA-N 1 0 283.322 2.325 20 70 CEIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1(C2CC2)CCC1 ZINC000159628319 366933871 /nfs/dbraw/zinc/93/38/71/366933871.db2.gz RBMIOSBBUVVRGY-ZDUSSCGKSA-N 1 0 291.439 2.350 20 70 CEIDRO CC[N@H+](C)[C@H](C(=O)Nc1c[nH]c(=O)c(C)c1)c1ccccc1 ZINC000159649600 366935503 /nfs/dbraw/zinc/93/55/03/366935503.db2.gz OBQPKVMUVYIRPE-HNNXBMFYSA-N 1 0 299.374 2.315 20 70 CEIDRO Cc1ccsc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159806354 366949016 /nfs/dbraw/zinc/94/90/16/366949016.db2.gz XCVPKRYKVYGAOV-UHFFFAOYSA-N 1 0 252.383 2.144 20 70 CEIDRO C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CN1C1CC1 ZINC000160071883 366970350 /nfs/dbraw/zinc/97/03/50/366970350.db2.gz HNVZVOONFBCDOE-LNSITVRQSA-N 1 0 280.437 2.170 20 70 CEIDRO CC(C)(C)OC(=O)NC1CC([NH2+]CC2(CO)CCCC2)C1 ZINC000160093258 366973224 /nfs/dbraw/zinc/97/32/24/366973224.db2.gz HXTLPKOAFFOYSO-UHFFFAOYSA-N 1 0 298.427 2.184 20 70 CEIDRO Cc1ccc(C)c(OCCN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160095177 366973953 /nfs/dbraw/zinc/97/39/53/366973953.db2.gz AUNXIEKQKUNMRS-OAHLLOKOSA-N 1 0 262.397 2.351 20 70 CEIDRO Cc1ccc(CCNC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000160212015 366983044 /nfs/dbraw/zinc/98/30/44/366983044.db2.gz FBLUJEFBGAOGMJ-HNNXBMFYSA-N 1 0 292.448 2.091 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCC1CCCC1 ZINC000160232535 366986614 /nfs/dbraw/zinc/98/66/14/366986614.db2.gz VSKXPBKILPRJOM-CPUCHLNUSA-N 1 0 294.439 2.215 20 70 CEIDRO CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160327698 366994647 /nfs/dbraw/zinc/99/46/47/366994647.db2.gz KEYZDOUFECGDOD-OCCSQVGLSA-N 1 0 276.380 2.427 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000160575532 367017867 /nfs/dbraw/zinc/01/78/67/367017867.db2.gz SYIJGKZCLJPHNO-DOMZBBRYSA-N 1 0 286.379 2.033 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000160589582 367020475 /nfs/dbraw/zinc/02/04/75/367020475.db2.gz MYFLPGXXUNWKPF-GFCCVEGCSA-N 1 0 289.766 2.322 20 70 CEIDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160625971 367022081 /nfs/dbraw/zinc/02/20/81/367022081.db2.gz GMSDIKSJYXVERE-JTQLQIEISA-N 1 0 253.390 2.368 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000160402941 367002705 /nfs/dbraw/zinc/00/27/05/367002705.db2.gz FOXSLGNZKJCLKW-OLZOCXBDSA-N 1 0 252.402 2.269 20 70 CEIDRO CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)o1 ZINC000160462635 367008000 /nfs/dbraw/zinc/00/80/00/367008000.db2.gz DQDHJUYHNOWRLB-WTNCMQEWSA-N 1 0 276.380 2.408 20 70 CEIDRO Cc1c(CNC(=O)[C@H]2CCC[NH2+]C2)oc2ccccc12 ZINC000160818387 367035799 /nfs/dbraw/zinc/03/57/99/367035799.db2.gz JMDBFYGGNCUYCX-LBPRGKRZSA-N 1 0 272.348 2.357 20 70 CEIDRO Cc1ccnc(-c2ccc(NC(=O)C(C)(C)[NH3+])cc2)n1 ZINC000160877762 367039701 /nfs/dbraw/zinc/03/97/01/367039701.db2.gz JUXPDUINBUIPIH-UHFFFAOYSA-N 1 0 270.336 2.128 20 70 CEIDRO CC(C)c1cnc(NC(=O)C[C@H]2CCC[NH2+]2)s1 ZINC000160896524 367041638 /nfs/dbraw/zinc/04/16/38/367041638.db2.gz TWRSDDSAXKRYIH-SECBINFHSA-N 1 0 253.371 2.347 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910876 367042012 /nfs/dbraw/zinc/04/20/12/367042012.db2.gz KQLGRXBXCUVLCN-AWEZNQCLSA-N 1 0 264.344 2.302 20 70 CEIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cnccn1 ZINC000161126151 367059565 /nfs/dbraw/zinc/05/95/65/367059565.db2.gz ZXPXWYIBPQAMRK-NSHDSACASA-N 1 0 271.320 2.099 20 70 CEIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000161182720 367065075 /nfs/dbraw/zinc/06/50/75/367065075.db2.gz CUGVSPBKKVPLDA-XJKSGUPXSA-N 1 0 288.395 2.070 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)c1cccc(OC)c1 ZINC000161197521 367067216 /nfs/dbraw/zinc/06/72/16/367067216.db2.gz OMTUEHQBGASVFR-OCCSQVGLSA-N 1 0 276.380 2.009 20 70 CEIDRO CCOC[C@H](O)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000161291304 367076179 /nfs/dbraw/zinc/07/61/79/367076179.db2.gz KLOQPVIKUMJYMH-HIFRSBDPSA-N 1 0 267.369 2.133 20 70 CEIDRO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cnn1CC(C)C ZINC000161312554 367076647 /nfs/dbraw/zinc/07/66/47/367076647.db2.gz XKTBCSUSIMBIKB-GFCCVEGCSA-N 1 0 292.427 2.060 20 70 CEIDRO CCN(CC)C(=O)[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000160709737 367030205 /nfs/dbraw/zinc/03/02/05/367030205.db2.gz OVUOCOMXQADYBQ-MRXNPFEDSA-N 1 0 295.471 2.195 20 70 CEIDRO CO[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000161409961 367083839 /nfs/dbraw/zinc/08/38/39/367083839.db2.gz OHKQQWBQLIGDSK-KBPBESRZSA-N 1 0 296.798 2.286 20 70 CEIDRO CC1(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCC1 ZINC000161401174 367083861 /nfs/dbraw/zinc/08/38/61/367083861.db2.gz WOAFAEAMDUNVAA-LBPRGKRZSA-N 1 0 265.401 2.245 20 70 CEIDRO COc1ccc(N(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000161442626 367086409 /nfs/dbraw/zinc/08/64/09/367086409.db2.gz NLFINYZIHVKJHT-JTQLQIEISA-N 1 0 282.771 2.454 20 70 CEIDRO OCCN(CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161505907 367092489 /nfs/dbraw/zinc/09/24/89/367092489.db2.gz GYHDEICSVJRIEY-UHFFFAOYSA-N 1 0 262.397 2.361 20 70 CEIDRO CCc1ncnc(NC[C@H](C)[N@H+](C)C2CC2)c1F ZINC000218004483 370204626 /nfs/dbraw/zinc/20/46/26/370204626.db2.gz QORQIKHFBPUOQL-VIFPVBQESA-N 1 0 252.337 2.073 20 70 CEIDRO CC(C)[C@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160235498 249319036 /nfs/dbraw/zinc/31/90/36/249319036.db2.gz BCDNWCWFLXCWGQ-KGLIPLIRSA-N 1 0 252.402 2.399 20 70 CEIDRO Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2C[NH3+])cc1C ZINC000160244570 249319048 /nfs/dbraw/zinc/31/90/48/249319048.db2.gz WKKCRNHZHRZAQS-OAHLLOKOSA-N 1 0 288.391 2.216 20 70 CEIDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)CN1Cc1ccccc1 ZINC000160601884 395061758 /nfs/dbraw/zinc/06/17/58/395061758.db2.gz WRCQHJRGKDHGJJ-DZGCQCFKSA-N 1 0 262.397 2.010 20 70 CEIDRO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)c2ccc(F)cc2O1 ZINC000161103329 395063528 /nfs/dbraw/zinc/06/35/28/395063528.db2.gz QSKMXCLQULROHA-NSHDSACASA-N 1 0 292.354 2.329 20 70 CEIDRO CCn1cc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000217450894 153297697 /nfs/dbraw/zinc/29/76/97/153297697.db2.gz ZOWTXOLCNGYSOS-CFVMTHIKSA-N 1 0 262.401 2.180 20 70 CEIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2cccn2)n1 ZINC000159710444 162312848 /nfs/dbraw/zinc/31/28/48/162312848.db2.gz CNFQUHWUZOLHPP-OAHLLOKOSA-N 1 0 256.353 2.424 20 70 CEIDRO NC(=O)CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000159833548 162316169 /nfs/dbraw/zinc/31/61/69/162316169.db2.gz JURLCQUKTZEBQQ-UHFFFAOYSA-N 1 0 293.436 2.498 20 70 CEIDRO CC[NH+](CC)CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000160097752 162322830 /nfs/dbraw/zinc/32/28/30/162322830.db2.gz JEHSXGAPDRKGAC-UHFFFAOYSA-N 1 0 295.431 2.393 20 70 CEIDRO CC1(C)CC[C@@H](C[NH2+]Cc2cccc3c2OCO3)O1 ZINC000160234522 162326308 /nfs/dbraw/zinc/32/63/08/162326308.db2.gz GRZVEVRDJLLPRL-LBPRGKRZSA-N 1 0 263.337 2.463 20 70 CEIDRO CCCOC(=O)[C@H](C)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160416920 162327574 /nfs/dbraw/zinc/32/75/74/162327574.db2.gz WYHYRIRWUFBMAO-LSDHHAIUSA-N 1 0 282.428 2.278 20 70 CEIDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1cnn(C)c1 ZINC000161162659 162327692 /nfs/dbraw/zinc/32/76/92/162327692.db2.gz RZLAZBWVXLJSSO-CABCVRRESA-N 1 0 264.417 2.335 20 70 CEIDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000160447204 162328358 /nfs/dbraw/zinc/32/83/58/162328358.db2.gz PTUXOQHPDMSLOJ-TXEJJXNPSA-N 1 0 278.421 2.379 20 70 CEIDRO CCn1cc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161084073 276714916 /nfs/dbraw/zinc/71/49/16/276714916.db2.gz BQZGKWCVEAWDOV-SNPRPXQTSA-N 1 0 264.417 2.426 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000161059530 280875974 /nfs/dbraw/zinc/87/59/74/280875974.db2.gz BZNPGPHMFYMPKJ-TVYUQYBPSA-N 1 0 284.787 2.270 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000161256945 282073322 /nfs/dbraw/zinc/07/33/22/282073322.db2.gz VQXYZRSVEAKDTA-SMDDNHRTSA-N 1 0 270.417 2.071 20 70 CEIDRO CC(C)[NH+](CCNC(=O)[C@H](C)C1CCOCC1)C(C)C ZINC000160361191 297435900 /nfs/dbraw/zinc/43/59/00/297435900.db2.gz LQEWKXTWQBYYAC-CQSZACIVSA-N 1 0 284.444 2.284 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000160828119 312642100 /nfs/dbraw/zinc/64/21/00/312642100.db2.gz FPFPMBKOEWLZKW-LBPRGKRZSA-N 1 0 292.770 2.261 20 70 CEIDRO CC(C)(O)C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000160586781 519361930 /nfs/dbraw/zinc/36/19/30/519361930.db2.gz NUNSQEUNIYZGSK-UHFFFAOYSA-N 1 0 280.387 2.151 20 70 CEIDRO CCc1ccc(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000161150861 523907361 /nfs/dbraw/zinc/90/73/61/523907361.db2.gz SMYHFGKKYCLWBX-INIZCTEOSA-N 1 0 274.408 2.248 20 70 CEIDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000161501357 524213016 /nfs/dbraw/zinc/21/30/16/524213016.db2.gz RHAVNNKRXFMZRW-NSHDSACASA-N 1 0 262.328 2.101 20 70 CEIDRO C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000159493491 524450057 /nfs/dbraw/zinc/45/00/57/524450057.db2.gz ISAICMAMDRCBOB-MNOVXSKESA-N 1 0 282.334 2.184 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000160380096 524811041 /nfs/dbraw/zinc/81/10/41/524811041.db2.gz VMGDOCNVIFJQOV-KBPBESRZSA-N 1 0 288.391 2.153 20 70 CEIDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616422 525478636 /nfs/dbraw/zinc/47/86/36/525478636.db2.gz WTIIBCWKXJNAMM-NEPJUHHUSA-N 1 0 284.363 2.197 20 70 CEIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000160723000 526383581 /nfs/dbraw/zinc/38/35/81/526383581.db2.gz RNGLRFRCVOVZGT-GASCZTMLSA-N 1 0 286.375 2.002 20 70 CEIDRO CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000159667244 526683999 /nfs/dbraw/zinc/68/39/99/526683999.db2.gz CAGBRJZPMLYMMV-UONOGXRCSA-N 1 0 296.455 2.463 20 70 CEIDRO CC(C)Oc1cccnc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159644042 528265046 /nfs/dbraw/zinc/26/50/46/528265046.db2.gz WACZJAUFWAICTA-UHFFFAOYSA-N 1 0 291.395 2.260 20 70 CEIDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+](C)CC1 ZINC000160692732 528911795 /nfs/dbraw/zinc/91/17/95/528911795.db2.gz MGOCCWMWYPWJIV-UHFFFAOYSA-N 1 0 278.400 2.068 20 70 CEIDRO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160631046 529177588 /nfs/dbraw/zinc/17/75/88/529177588.db2.gz PXBFDWKTDPOHPN-JSGCOSHPSA-N 1 0 278.421 2.378 20 70 CEIDRO COc1cc(C)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160795619 539250466 /nfs/dbraw/zinc/25/04/66/539250466.db2.gz KVOCBAQWUZVLLF-NXEZZACHSA-N 1 0 268.382 2.065 20 70 CEIDRO CC(C)[C@@H](CNC(=O)CCC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000160048935 344456949 /nfs/dbraw/zinc/45/69/49/344456949.db2.gz QOEWNNRSBXIJSR-OAHLLOKOSA-N 1 0 297.487 2.201 20 70 CEIDRO CC[C@@H](C(=O)NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000218237326 344536289 /nfs/dbraw/zinc/53/62/89/344536289.db2.gz IDLZAFZERQVBQS-CQSZACIVSA-N 1 0 264.344 2.188 20 70 CEIDRO CN(C(=O)c1ccc2ccccc2c1O)[C@H](C[NH3+])C1CC1 ZINC000159866843 232249133 /nfs/dbraw/zinc/24/91/33/232249133.db2.gz KONKPJDNVOVNIL-OAHLLOKOSA-N 1 0 284.359 2.355 20 70 CEIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)C1CC[NH2+]CC1 ZINC000159602134 188433869 /nfs/dbraw/zinc/43/38/69/188433869.db2.gz ZTJIKFVLLCFZFH-UHFFFAOYSA-N 1 0 272.348 2.144 20 70 CEIDRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(Cl)s1 ZINC000160184777 188458979 /nfs/dbraw/zinc/45/89/79/188458979.db2.gz VHSWZBMBOBIBCY-RKDXNWHRSA-N 1 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ZINC000159409256 366910114 /nfs/dbraw/zinc/91/01/14/366910114.db2.gz ZMBKSHPKZAYOFX-YGRLFVJLSA-N 1 0 281.783 2.478 20 70 CEIDRO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@H]1O ZINC000159413177 366910178 /nfs/dbraw/zinc/91/01/78/366910178.db2.gz QYNFNOUFFLLPEU-DOMZBBRYSA-N 1 0 256.349 2.438 20 70 CEIDRO COc1ccc(CCC[N@H+](C)CCn2ccnc2)cc1 ZINC000159771468 366946256 /nfs/dbraw/zinc/94/62/56/366946256.db2.gz GFHUIYCGWIDPRJ-UHFFFAOYSA-N 1 0 273.380 2.456 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccccc2F)CC1 ZINC000159543218 366923863 /nfs/dbraw/zinc/92/38/63/366923863.db2.gz XYTQFWPIPAEAFN-UHFFFAOYSA-N 1 0 293.386 2.105 20 70 CEIDRO [NH3+]C1(CNC(=O)c2ccc(F)cc2)CCCCC1 ZINC000159651000 366935269 /nfs/dbraw/zinc/93/52/69/366935269.db2.gz JCUYVZLSTCYDGC-UHFFFAOYSA-N 1 0 250.317 2.217 20 70 CEIDRO CC[C@@H](C)OCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159656697 366937482 /nfs/dbraw/zinc/93/74/82/366937482.db2.gz YNNWEYUPJJEIQS-IUODEOHRSA-N 1 0 296.386 2.360 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000159678045 366938578 /nfs/dbraw/zinc/93/85/78/366938578.db2.gz VJALYUAQTWBRAP-ONGXEEELSA-N 1 0 279.409 2.106 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000159803378 366949072 /nfs/dbraw/zinc/94/90/72/366949072.db2.gz XKFLUVJTOMARKK-SCRDCRAPSA-N 1 0 278.371 2.386 20 70 CEIDRO C[N@H+](CCOCCOc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000159794665 366949410 /nfs/dbraw/zinc/94/94/10/366949410.db2.gz GPGWFKGNBPPHFW-WBVHZDCISA-N 1 0 293.407 2.175 20 70 CEIDRO C[C@@]1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC[NH2+]C1 ZINC000159821628 366950696 /nfs/dbraw/zinc/95/06/96/366950696.db2.gz XGTOOQNDZMESBE-DOTOQJQBSA-N 1 0 272.392 2.124 20 70 CEIDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC1(C)CCC1 ZINC000159828581 366950895 /nfs/dbraw/zinc/95/08/95/366950895.db2.gz LSJIJKQCQHRGMQ-HNNXBMFYSA-N 1 0 289.423 2.401 20 70 CEIDRO Cc1cnn(CCCCC[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1 ZINC000159788820 366947786 /nfs/dbraw/zinc/94/77/86/366947786.db2.gz RAJGINBGCGSRCP-CVEARBPZSA-N 1 0 279.428 2.455 20 70 CEIDRO COc1cccc(OCC[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159875721 366956266 /nfs/dbraw/zinc/95/62/66/366956266.db2.gz UKDLZXIKHJJCDB-BBRMVZONSA-N 1 0 279.380 2.167 20 70 CEIDRO CCS[C@H]1CC[C@H]([N@H+](C)CCn2ccnc2)C1 ZINC000159860101 366954833 /nfs/dbraw/zinc/95/48/33/366954833.db2.gz STUQEOMBIDKMRE-STQMWFEESA-N 1 0 253.415 2.489 20 70 CEIDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)CC(C)C ZINC000159956814 366962048 /nfs/dbraw/zinc/96/20/48/366962048.db2.gz SYSPGHVWMNJUFY-ZDUSSCGKSA-N 1 0 257.422 2.452 20 70 CEIDRO C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000160006666 366965281 /nfs/dbraw/zinc/96/52/81/366965281.db2.gz NVCJUHARSFEKLK-DGCLKSJQSA-N 1 0 277.412 2.101 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000160335533 366996764 /nfs/dbraw/zinc/99/67/64/366996764.db2.gz GLKQPXCLPXBISH-LBPRGKRZSA-N 1 0 286.297 2.198 20 70 CEIDRO CCCc1sc(C(=O)N2CC[C@@H]([NH3+])C2)cc1CC ZINC000160251319 366987131 /nfs/dbraw/zinc/98/71/31/366987131.db2.gz NYAHIQVQQKRBTE-LLVKDONJSA-N 1 0 266.410 2.436 20 70 CEIDRO C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccs1 ZINC000160280649 366990897 /nfs/dbraw/zinc/99/08/97/366990897.db2.gz RMCGMJLDMIMMLJ-RYUDHWBXSA-N 1 0 266.410 2.262 20 70 CEIDRO C[C@@H]1OCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000160284285 366991207 /nfs/dbraw/zinc/99/12/07/366991207.db2.gz DZQWTLJWFSRKES-KBPBESRZSA-N 1 0 296.455 2.380 20 70 CEIDRO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC000160657406 367025296 /nfs/dbraw/zinc/02/52/96/367025296.db2.gz LVQYHAPHQYWLBS-LBPRGKRZSA-N 1 0 252.402 2.271 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000160610652 367022720 /nfs/dbraw/zinc/02/27/20/367022720.db2.gz UHCUCPZWQCCGBK-SNVBAGLBSA-N 1 0 299.802 2.027 20 70 CEIDRO O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160396618 367002686 /nfs/dbraw/zinc/00/26/86/367002686.db2.gz XDOMXBZKHLHOEB-CABCVRRESA-N 1 0 290.382 2.216 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000160553510 367017330 /nfs/dbraw/zinc/01/73/30/367017330.db2.gz MUZMTVQAAMDKAV-STQMWFEESA-N 1 0 278.396 2.161 20 70 CEIDRO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cnccn1 ZINC000160868586 367039496 /nfs/dbraw/zinc/03/94/96/367039496.db2.gz WZUFYWHJMRXZSL-ZDUSSCGKSA-N 1 0 270.380 2.389 20 70 CEIDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000160947842 367045295 /nfs/dbraw/zinc/04/52/95/367045295.db2.gz FINQPOPGOICVNG-LBPRGKRZSA-N 1 0 264.369 2.261 20 70 CEIDRO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CCN1C ZINC000160944896 367046080 /nfs/dbraw/zinc/04/60/80/367046080.db2.gz NSWKAZJYGRAFQW-FVQBIDKESA-N 1 0 262.397 2.182 20 70 CEIDRO CC[N@H+](CCOc1ccccc1F)Cc1cnn(C)c1 ZINC000161076142 367053119 /nfs/dbraw/zinc/05/31/19/367053119.db2.gz XOMXQRYYEHPAFV-UHFFFAOYSA-N 1 0 277.343 2.460 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000161064756 367053498 /nfs/dbraw/zinc/05/34/98/367053498.db2.gz QORJFTDQDPSZJB-WCQYABFASA-N 1 0 274.389 2.495 20 70 CEIDRO [NH3+]CCC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000161130009 367061169 /nfs/dbraw/zinc/06/11/69/367061169.db2.gz FVXGVJKHWGXKLH-UHFFFAOYSA-N 1 0 278.299 2.470 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)on1 ZINC000161161191 367062394 /nfs/dbraw/zinc/06/23/94/367062394.db2.gz SDVAQJDTWTWURI-GXFFZTMASA-N 1 0 279.384 2.258 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(CC(C)C)n1 ZINC000161315028 367077557 /nfs/dbraw/zinc/07/75/57/367077557.db2.gz IWFPQRLFTKSXCS-LLVKDONJSA-N 1 0 281.425 2.166 20 70 CEIDRO CN(Cc1cc2ccccc2o1)C(=O)C[NH2+]CC1CC1 ZINC000161415731 367085109 /nfs/dbraw/zinc/08/51/09/367085109.db2.gz TVBKAZAKGOKUCD-UHFFFAOYSA-N 1 0 272.348 2.391 20 70 CEIDRO CO[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000161412970 367085188 /nfs/dbraw/zinc/08/51/88/367085188.db2.gz XFPBDPPEAIHJDR-KGLIPLIRSA-N 1 0 296.798 2.286 20 70 CEIDRO CC1(C)Cc2cccc(C[NH2+]C3(CO)CCOCC3)c2O1 ZINC000217809949 370201959 /nfs/dbraw/zinc/20/19/59/370201959.db2.gz OTROBPGPOLGIBD-UHFFFAOYSA-N 1 0 291.391 2.031 20 70 CEIDRO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000160038671 395060402 /nfs/dbraw/zinc/06/04/02/395060402.db2.gz CHVFZBRSBZNACH-JKIFEVAISA-N 1 0 288.391 2.466 20 70 CEIDRO CC1=C(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCCO1 ZINC000160377963 395060624 /nfs/dbraw/zinc/06/06/24/395060624.db2.gz NZWRPRFPQIKZTP-DZGCQCFKSA-N 1 0 278.396 2.014 20 70 CEIDRO CC1CCN(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000160549740 395060650 /nfs/dbraw/zinc/06/06/50/395060650.db2.gz GNGXJTZQNRECPQ-CQSZACIVSA-N 1 0 265.401 2.008 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161098331 395063396 /nfs/dbraw/zinc/06/33/96/395063396.db2.gz CCKDHWSISVAKSD-QCZZGDTMSA-N 1 0 264.344 2.303 20 70 CEIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCC[NH3+] ZINC000161053229 400284048 /nfs/dbraw/zinc/28/40/48/400284048.db2.gz NWRFIZDBDSSUDV-NSHDSACASA-N 1 0 268.788 2.468 20 70 CEIDRO CCc1ncnc(NCCC[N@H+](C)C(C)C)c1F ZINC000217971201 153297900 /nfs/dbraw/zinc/29/79/00/153297900.db2.gz FOKWYTYZSOBBEQ-UHFFFAOYSA-N 1 0 254.353 2.320 20 70 CEIDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCN2 ZINC000217804792 153298259 /nfs/dbraw/zinc/29/82/59/153298259.db2.gz FNXYNMPQEQFLRH-HOTGVXAUSA-N 1 0 285.391 2.011 20 70 CEIDRO CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000217198014 153298817 /nfs/dbraw/zinc/29/88/17/153298817.db2.gz WPJBPXZHQMKPKX-CABCVRRESA-N 1 0 284.444 2.260 20 70 CEIDRO CC(C)(NC(=O)[C@@]1(F)CC[NH2+]C1)c1cccc(Cl)c1 ZINC000159648432 162309975 /nfs/dbraw/zinc/30/99/75/162309975.db2.gz RHKIJOURPZDJOG-CQSZACIVSA-N 1 0 284.762 2.393 20 70 CEIDRO O=C(c1c[nH]nc1-c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159769479 162313081 /nfs/dbraw/zinc/31/30/81/162313081.db2.gz JUYGUWBGNLKFLA-OKILXGFUSA-N 1 0 296.374 2.043 20 70 CEIDRO CN(Cc1ccc2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000159706582 162313653 /nfs/dbraw/zinc/31/36/53/162313653.db2.gz COGCYEMFWXRWFI-INIZCTEOSA-N 1 0 255.365 2.404 20 70 CEIDRO CN(C(=O)CCCc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000159795101 162317212 /nfs/dbraw/zinc/31/72/12/162317212.db2.gz CXUJYBHNQDMZEK-OAHLLOKOSA-N 1 0 260.381 2.205 20 70 CEIDRO COc1ccc(OC)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000160073839 162322928 /nfs/dbraw/zinc/32/29/28/162322928.db2.gz GBRSUKLHLNKYGI-UHFFFAOYSA-N 1 0 279.380 2.346 20 70 CEIDRO CC(C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160214905 162325399 /nfs/dbraw/zinc/32/53/99/162325399.db2.gz SBVSVTXCEMZYKD-ZDUSSCGKSA-N 1 0 275.396 2.320 20 70 CEIDRO CC[N@@H+]1CCC[C@@H]1CNc1nnc(C(F)(F)F)s1 ZINC000160320148 162327560 /nfs/dbraw/zinc/32/75/60/162327560.db2.gz OBWQWJPDJISRFY-SSDOTTSWSA-N 1 0 280.319 2.453 20 70 CEIDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)c1cnn(C)c1 ZINC000161162408 162328239 /nfs/dbraw/zinc/32/82/39/162328239.db2.gz RZLAZBWVXLJSSO-GJZGRUSLSA-N 1 0 264.417 2.335 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)CC2C3CC4CC(C3)CC2C4)C1 ZINC000216659029 414843079 /nfs/dbraw/zinc/84/30/79/414843079.db2.gz YYVNVAJVEWCXCT-DUTNFGBUSA-N 1 0 262.397 2.008 20 70 CEIDRO CC[C@@](C)(O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000160762303 287393342 /nfs/dbraw/zinc/39/33/42/287393342.db2.gz WFNCNYWKSKFDDN-CZUORRHYSA-N 1 0 284.444 2.020 20 70 CEIDRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(F)cc2F)C1 ZINC000160131282 261205810 /nfs/dbraw/zinc/20/58/10/261205810.db2.gz YFGSQCJUZIUQSO-GFCCVEGCSA-N 1 0 296.361 2.355 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@]1(C)CCCS1 ZINC000160235961 276111895 /nfs/dbraw/zinc/11/18/95/276111895.db2.gz AALMXUUIQRPITJ-GXTWGEPZSA-N 1 0 287.473 2.302 20 70 CEIDRO CC1CCC(=CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000159443256 276187853 /nfs/dbraw/zinc/18/78/53/276187853.db2.gz CAUXOJSGNKEABJ-LQDVMPOASA-N 1 0 262.397 2.476 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000161351361 277025286 /nfs/dbraw/zinc/02/52/86/277025286.db2.gz QHNZEFBPZUKICW-QBBMROGASA-N 1 0 295.471 2.144 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160081277 278304510 /nfs/dbraw/zinc/30/45/10/278304510.db2.gz HCPSNUPVMPMCLJ-LHLIQPBNSA-N 1 0 273.163 2.444 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000159972861 279155756 /nfs/dbraw/zinc/15/57/56/279155756.db2.gz DQXWSBYJAHAWOS-VXGBXAGGSA-N 1 0 294.443 2.367 20 70 CEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000161212129 279282546 /nfs/dbraw/zinc/28/25/46/279282546.db2.gz CZCXYPCOIOXBMO-DZGCQCFKSA-N 1 0 276.428 2.262 20 70 CEIDRO CCN(CC[NH2+][C@@H](C)[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000159455243 297428959 /nfs/dbraw/zinc/42/89/59/297428959.db2.gz DPFQKEYEOQVXST-STQMWFEESA-N 1 0 286.416 2.258 20 70 CEIDRO CCc1oc(C(=O)NC2CC[NH+](CC)CC2)cc1C ZINC000159585298 297429156 /nfs/dbraw/zinc/42/91/56/297429156.db2.gz LPRMUMDUGJHJAN-UHFFFAOYSA-N 1 0 264.369 2.365 20 70 CEIDRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C[NH3+] ZINC000160078280 297433033 /nfs/dbraw/zinc/43/30/33/297433033.db2.gz BILRCNFNIFCWTC-ZDUSSCGKSA-N 1 0 254.761 2.454 20 70 CEIDRO O=C([C@@H]1CCCO1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000161027306 297440358 /nfs/dbraw/zinc/44/03/58/297440358.db2.gz UZNXDYCXRDAQPU-INIZCTEOSA-N 1 0 294.439 2.280 20 70 CEIDRO CCn1c(C[NH2+][C@]2(C)CCOC2)nc2ccccc21 ZINC000160191394 312636796 /nfs/dbraw/zinc/63/67/96/312636796.db2.gz ROURIJYXYPLTLS-OAHLLOKOSA-N 1 0 259.353 2.325 20 70 CEIDRO Cc1ccc(/C=C/C(=O)NCCC[NH3+])cc1Cl ZINC000160046028 500967450 /nfs/dbraw/zinc/96/74/50/500967450.db2.gz LANHHSCSQAPFFM-AATRIKPKSA-N 1 0 252.745 2.127 20 70 CEIDRO CCOCCN(CC)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160842188 519906372 /nfs/dbraw/zinc/90/63/72/519906372.db2.gz TXVRTOKNTSXNRP-CQSZACIVSA-N 1 0 297.443 2.071 20 70 CEIDRO CCCC[C@H](CC)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161060303 521157889 /nfs/dbraw/zinc/15/78/89/521157889.db2.gz DXWKXYCQYCJKIV-BFHYXJOUSA-N 1 0 270.417 2.168 20 70 CEIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cnc2ccccn12 ZINC000161301006 521722833 /nfs/dbraw/zinc/72/28/33/521722833.db2.gz DPNUHBHYVMCRKL-CABCVRRESA-N 1 0 284.407 2.393 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(SC)ccc2C)C1 ZINC000160606170 522392004 /nfs/dbraw/zinc/39/20/04/522392004.db2.gz METMIASATDJIHW-LLVKDONJSA-N 1 0 264.394 2.151 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(SC)ccc2C)C1 ZINC000160606031 522503764 /nfs/dbraw/zinc/50/37/64/522503764.db2.gz METMIASATDJIHW-NSHDSACASA-N 1 0 264.394 2.151 20 70 CEIDRO CC[C@H](NC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000159477384 522563881 /nfs/dbraw/zinc/56/38/81/522563881.db2.gz FYICWFJNSSKZOL-INIZCTEOSA-N 1 0 290.407 2.192 20 70 CEIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000160582439 526383918 /nfs/dbraw/zinc/38/39/18/526383918.db2.gz HQEYINYCZANXCH-TXEJJXNPSA-N 1 0 292.404 2.064 20 70 CEIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C=CCCC1 ZINC000159607611 528897893 /nfs/dbraw/zinc/89/78/93/528897893.db2.gz VWWWXRYLUPXLIC-ZDUSSCGKSA-N 1 0 253.390 2.077 20 70 CEIDRO CC(C)S(=O)(=O)CCCN(C)Cc1ccsc1 ZINC000160571292 539278840 /nfs/dbraw/zinc/27/88/40/539278840.db2.gz YSQGHSBTAFBZLZ-UHFFFAOYSA-N 1 0 275.439 2.393 20 70 CEIDRO Cc1ccc(OCC[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161296370 539279370 /nfs/dbraw/zinc/27/93/70/539279370.db2.gz JOXNFRILPXCBQL-UHFFFAOYSA-N 1 0 299.436 2.130 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000159365726 344454413 /nfs/dbraw/zinc/45/44/13/344454413.db2.gz UDUOSSSPLALFQD-AWEZNQCLSA-N 1 0 281.396 2.139 20 70 CEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000160622915 344460095 /nfs/dbraw/zinc/46/00/95/344460095.db2.gz NYPFJSIHPMNOCU-CQSZACIVSA-N 1 0 265.401 2.056 20 70 CEIDRO O=C(CC1CC[NH2+]CC1)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000159381563 232247021 /nfs/dbraw/zinc/24/70/21/232247021.db2.gz SGBOTYCMZJBTLF-SMDDNHRTSA-N 1 0 294.345 2.327 20 70 CEIDRO CCOc1cc2c(cc1C[NH2+][C@H]1CCN(C)C1)O[C@@H](C)C2 ZINC000218741599 539776377 /nfs/dbraw/zinc/77/63/77/539776377.db2.gz KNEAAEYYSIWNKA-WFASDCNBSA-N 1 0 290.407 2.202 20 70 CEIDRO C[C@@]1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC[NH2+]C1 ZINC000159821898 188442769 /nfs/dbraw/zinc/44/27/69/188442769.db2.gz XGTOOQNDZMESBE-NVXWUHKLSA-N 1 0 272.392 2.124 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000160179532 188458550 /nfs/dbraw/zinc/45/85/50/188458550.db2.gz VGFBOTPGQKIFKK-CQSZACIVSA-N 1 0 276.355 2.197 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000159981173 188450171 /nfs/dbraw/zinc/45/01/71/188450171.db2.gz GEZYYMIEUUFILI-UHFFFAOYSA-N 1 0 293.367 2.416 20 70 CEIDRO O=C(C1CC[NH2+]CC1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160384155 188469352 /nfs/dbraw/zinc/46/93/52/188469352.db2.gz YWHGZDIZSWTMLN-CQSZACIVSA-N 1 0 290.382 2.216 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1cccc(OC)c1 ZINC000161173041 188513292 /nfs/dbraw/zinc/51/32/92/188513292.db2.gz BXBKZJYCXICBBH-UHFFFAOYSA-N 1 0 278.396 2.119 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000161305467 188521111 /nfs/dbraw/zinc/52/11/11/188521111.db2.gz IGXRMQIDKCYHNQ-PBHICJAKSA-N 1 0 298.386 2.408 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000161460210 188529299 /nfs/dbraw/zinc/52/92/99/188529299.db2.gz UFMGVFNOHJPYEA-UWTIGNOOSA-N 1 0 290.407 2.360 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC000160775602 540123226 /nfs/dbraw/zinc/12/32/26/540123226.db2.gz WTKOOCGYBALRNB-NEPJUHHUSA-N 1 0 269.348 2.235 20 70 CEIDRO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160788284 540123347 /nfs/dbraw/zinc/12/33/47/540123347.db2.gz DKUBDVWRUMHUJX-NWDGAFQWSA-N 1 0 299.374 2.249 20 70 CEIDRO C[C@H](CNC(=O)c1ccc(C[NH3+])o1)Oc1ccc(F)cc1 ZINC000161124027 540133775 /nfs/dbraw/zinc/13/37/75/540133775.db2.gz YSKJHPMAIVSDQX-SNVBAGLBSA-N 1 0 292.310 2.075 20 70 CEIDRO CCc1ccsc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161291900 540136455 /nfs/dbraw/zinc/13/64/55/540136455.db2.gz QRUIAFHHPZXVCC-QWRGUYRKSA-N 1 0 252.383 2.310 20 70 CEIDRO CCO[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160528339 540617772 /nfs/dbraw/zinc/61/77/72/540617772.db2.gz HFCVACSEJFTDCE-CQSZACIVSA-N 1 0 259.353 2.335 20 70 CEIDRO CC[C@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)[NH+](C)C ZINC000161396278 540812291 /nfs/dbraw/zinc/81/22/91/540812291.db2.gz NNCCFKBBFDYKPC-ZIAGYGMSSA-N 1 0 298.814 2.484 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCc2ccccc21 ZINC000159729053 366943197 /nfs/dbraw/zinc/94/31/97/366943197.db2.gz QHEFAOPOSVSQQL-AWEZNQCLSA-N 1 0 260.381 2.221 20 70 CEIDRO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000159722516 366943246 /nfs/dbraw/zinc/94/32/46/366943246.db2.gz CKDHHCYFXQHHPM-BZUAXINKSA-N 1 0 272.392 2.439 20 70 CEIDRO COc1cccc(C(=O)NCC2([NH3+])CCCCC2)c1OC ZINC000159733863 366944349 /nfs/dbraw/zinc/94/43/49/366944349.db2.gz DKPHMRBWRFAPEY-UHFFFAOYSA-N 1 0 292.379 2.095 20 70 CEIDRO C[C@@H]1CCC[C@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000159422484 366911730 /nfs/dbraw/zinc/91/17/30/366911730.db2.gz CWGNWPFULDJERG-WCVJEAGWSA-N 1 0 296.455 2.428 20 70 CEIDRO Cc1ccccc1-c1noc([C@@H](C)N(C)C[C@@H](C)O)n1 ZINC000159509045 366920591 /nfs/dbraw/zinc/92/05/91/366920591.db2.gz OPBGKHUHPNXPFA-VXGBXAGGSA-N 1 0 275.352 2.419 20 70 CEIDRO CC(=O)c1cnc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000159508377 366920863 /nfs/dbraw/zinc/92/08/63/366920863.db2.gz NGTOJBXFKNILPP-FGWVZKOKSA-N 1 0 293.392 2.205 20 70 CEIDRO CCn1c(C)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1C ZINC000159532604 366922133 /nfs/dbraw/zinc/92/21/33/366922133.db2.gz WZMZVWZLSLDHPI-OKILXGFUSA-N 1 0 275.396 2.091 20 70 CEIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C2([NH3+])CC2)cc1 ZINC000159529597 366922759 /nfs/dbraw/zinc/92/27/59/366922759.db2.gz UNVXYUNZDXCANW-HUUCEWRRSA-N 1 0 288.391 2.070 20 70 CEIDRO CC[C@@H](CCO)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000159562861 366926588 /nfs/dbraw/zinc/92/65/88/366926588.db2.gz VTAMTQWIXRANQG-GJZGRUSLSA-N 1 0 263.381 2.303 20 70 CEIDRO c1cnn([C@@H]2CCC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000159562996 366926623 /nfs/dbraw/zinc/92/66/23/366926623.db2.gz WVRIRICMIKUQRT-CQSZACIVSA-N 1 0 281.363 2.368 20 70 CEIDRO Cc1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1F ZINC000159580599 366927875 /nfs/dbraw/zinc/92/78/75/366927875.db2.gz UMRBAHQXDNEWAA-UHFFFAOYSA-N 1 0 266.360 2.452 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)C1(C)CC1)c1cccc(F)c1 ZINC000159640353 366934397 /nfs/dbraw/zinc/93/43/97/366934397.db2.gz RNGHKCIMGRLDJQ-CYBMUJFWSA-N 1 0 264.344 2.345 20 70 CEIDRO CC(C)(NC(=O)C[NH2+]CC1CC1)c1cccc(F)c1 ZINC000159643434 366935484 /nfs/dbraw/zinc/93/54/84/366935484.db2.gz REFRPLZFMMDRMY-UHFFFAOYSA-N 1 0 264.344 2.177 20 70 CEIDRO COC(=O)Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000159644321 366935714 /nfs/dbraw/zinc/93/57/14/366935714.db2.gz CKOYGOZKBCDKJZ-UHFFFAOYSA-N 1 0 290.363 2.002 20 70 CEIDRO CCC[C@@H]1CN(C(=O)NCCC(C)C)CC[N@@H+]1CCOC ZINC000159657815 366936973 /nfs/dbraw/zinc/93/69/73/366936973.db2.gz JNMPKZMHUSRWSQ-OAHLLOKOSA-N 1 0 299.459 2.175 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159798330 366949371 /nfs/dbraw/zinc/94/93/71/366949371.db2.gz QGZZLIUXUWTJIU-CHWSQXEVSA-N 1 0 255.406 2.062 20 70 CEIDRO C[C@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CN1C1CC1 ZINC000160071621 366969931 /nfs/dbraw/zinc/96/99/31/366969931.db2.gz HNVZVOONFBCDOE-WHOFXGATSA-N 1 0 280.437 2.170 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC1CCCC1 ZINC000159917146 366959204 /nfs/dbraw/zinc/95/92/04/366959204.db2.gz RGHVBIQBCWRYER-UHFFFAOYSA-N 1 0 295.452 2.455 20 70 CEIDRO COC[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160039791 366967170 /nfs/dbraw/zinc/96/71/70/366967170.db2.gz JQRXZDCCUUPSBI-NSHDSACASA-N 1 0 282.350 2.275 20 70 CEIDRO [NH3+]CCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000160107088 366974828 /nfs/dbraw/zinc/97/48/28/366974828.db2.gz WDQRYZSBBHTLLD-CVEARBPZSA-N 1 0 268.360 2.408 20 70 CEIDRO CC[N@H+](C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000160148292 366975978 /nfs/dbraw/zinc/97/59/78/366975978.db2.gz UQKKJCRJGUWRGH-LBPRGKRZSA-N 1 0 266.360 2.072 20 70 CEIDRO CN(Cc1csc(-c2ccccn2)n1)[C@H](C[NH3+])C1CC1 ZINC000160148651 366976961 /nfs/dbraw/zinc/97/69/61/366976961.db2.gz NSUCQDGIWWHNNB-CQSZACIVSA-N 1 0 288.420 2.374 20 70 CEIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC000160185994 366980954 /nfs/dbraw/zinc/98/09/54/366980954.db2.gz BKVUEZLZCLAPTO-MRXNPFEDSA-N 1 0 290.407 2.146 20 70 CEIDRO CCCN(CC1CC1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160189480 366981378 /nfs/dbraw/zinc/98/13/78/366981378.db2.gz NSLMXRXHXGZPPV-GRDNDAEWSA-N 1 0 294.439 2.168 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNCc1ccccc1NC(C)=O ZINC000160246333 366986040 /nfs/dbraw/zinc/98/60/40/366986040.db2.gz KKZOIOYXQNQDLH-CYBMUJFWSA-N 1 0 277.412 2.465 20 70 CEIDRO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160327563 366995254 /nfs/dbraw/zinc/99/52/54/366995254.db2.gz KEYZDOUFECGDOD-GXTWGEPZSA-N 1 0 276.380 2.427 20 70 CEIDRO C[NH+](C)C1CCN(C(=O)N2CCCCCC2)CC1 ZINC000160365904 366999799 /nfs/dbraw/zinc/99/97/99/366999799.db2.gz BUWGTSWZQGPNRJ-UHFFFAOYSA-N 1 0 253.390 2.008 20 70 CEIDRO CC[N@H+](CCNC(=O)c1cnn(CC(C)C)c1C)C(C)C ZINC000160811981 367034932 /nfs/dbraw/zinc/03/49/32/367034932.db2.gz YWSGYGJXKIXTJD-UHFFFAOYSA-N 1 0 294.443 2.308 20 70 CEIDRO COCCCCN(Cc1nncn1C)Cc1ccccc1 ZINC000160848122 367038044 /nfs/dbraw/zinc/03/80/44/367038044.db2.gz IKDFYMMOQUXUED-UHFFFAOYSA-N 1 0 288.395 2.244 20 70 CEIDRO CC(C)C[C@@H]([NH2+]CC(=O)NC(C)C)c1ccccn1 ZINC000160915510 367042269 /nfs/dbraw/zinc/04/22/69/367042269.db2.gz MMSXTJGLANCKNJ-CQSZACIVSA-N 1 0 263.385 2.283 20 70 CEIDRO Cc1ccc(C[C@@H]([NH2+]CC(=O)NC(C)C)C2CC2)cc1 ZINC000161009384 367049279 /nfs/dbraw/zinc/04/92/79/367049279.db2.gz NBSPRUPJBIYFTG-MRXNPFEDSA-N 1 0 274.408 2.430 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161020549 367050167 /nfs/dbraw/zinc/05/01/67/367050167.db2.gz IHWSUUFURPPYTF-GXFFZTMASA-N 1 0 282.334 2.325 20 70 CEIDRO CCn1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)cn1 ZINC000161339631 367079985 /nfs/dbraw/zinc/07/99/85/367079985.db2.gz ZRLOPPCMTZHXKS-WBMJQRKESA-N 1 0 289.379 2.296 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161069636 367053653 /nfs/dbraw/zinc/05/36/53/367053653.db2.gz UPJPWZCYITYGFL-BFHYXJOUSA-N 1 0 250.386 2.214 20 70 CEIDRO COCCN(CCC[NH+]1CCCCC1)CC(F)(F)F ZINC000161081010 367054633 /nfs/dbraw/zinc/05/46/33/367054633.db2.gz DKVXCSVBNMXFRR-UHFFFAOYSA-N 1 0 282.350 2.373 20 70 CEIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CCC[NH3+])cc1 ZINC000161104200 367057588 /nfs/dbraw/zinc/05/75/88/367057588.db2.gz HCMJCNFKGMLMGX-WBVHZDCISA-N 1 0 290.407 2.318 20 70 CEIDRO Cc1ccc([C@H](C)CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000161170489 367063794 /nfs/dbraw/zinc/06/37/94/367063794.db2.gz XIQRHKFWYBXXMI-HIFRSBDPSA-N 1 0 260.381 2.214 20 70 CEIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000161174962 367065087 /nfs/dbraw/zinc/06/50/87/367065087.db2.gz AVEUVRVTGAYAPO-HZSPNIEDSA-N 1 0 282.428 2.086 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCO[C@H](C)CC(C)C ZINC000161358541 367081090 /nfs/dbraw/zinc/08/10/90/367081090.db2.gz MVPGOLLZMGRWRT-ZIAGYGMSSA-N 1 0 270.417 2.038 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCc1sc(C)nc1C ZINC000161292119 367076005 /nfs/dbraw/zinc/07/60/05/367076005.db2.gz VLFBPLJYLQFOKM-UHFFFAOYSA-N 1 0 283.441 2.184 20 70 CEIDRO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(=O)NC(C)(C)C ZINC000161317376 367077516 /nfs/dbraw/zinc/07/75/16/367077516.db2.gz QGLWTISLEOQEGB-VIFPVBQESA-N 1 0 270.323 2.358 20 70 CEIDRO Fc1cccc(OCC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161331538 367078120 /nfs/dbraw/zinc/07/81/20/367078120.db2.gz WEPBHPQCTBRYMA-UHFFFAOYSA-N 1 0 295.354 2.480 20 70 CEIDRO CC[C@H](COC)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160771831 367033115 /nfs/dbraw/zinc/03/31/15/367033115.db2.gz LMBDTBMCXIIYPI-CVEARBPZSA-N 1 0 290.407 2.365 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1c[nH]nc1-c1cccnc1 ZINC000217387996 370195778 /nfs/dbraw/zinc/19/57/78/370195778.db2.gz UEILTVGMZIEOPG-CYBMUJFWSA-N 1 0 287.411 2.292 20 70 CEIDRO COc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(OC)c1 ZINC000217696737 370200185 /nfs/dbraw/zinc/20/01/85/370200185.db2.gz USSUSKLNURVOFS-SJORKVTESA-N 1 0 290.407 2.420 20 70 CEIDRO CCc1ncnc(NCC[N@@H+](C)[C@@H](C)CC)c1F ZINC000218002796 370203952 /nfs/dbraw/zinc/20/39/52/370203952.db2.gz PIBIOGJNVVZJEB-JTQLQIEISA-N 1 0 254.353 2.320 20 70 CEIDRO C[N@@H+](Cc1cccnc1)C[C@H](O)c1ccccc1F ZINC000218152089 370206428 /nfs/dbraw/zinc/20/64/28/370206428.db2.gz JRGSHKFQCVKQAW-HNNXBMFYSA-N 1 0 260.312 2.386 20 70 CEIDRO Cn1ccnc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000218236391 370207130 /nfs/dbraw/zinc/20/71/30/370207130.db2.gz QOEWQFUWONZPLE-UHFFFAOYSA-N 1 0 270.380 2.179 20 70 CEIDRO C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)Oc1ccccc1F ZINC000161159902 249319779 /nfs/dbraw/zinc/31/97/79/249319779.db2.gz JQEGANPTWHFAFF-LBPRGKRZSA-N 1 0 294.370 2.228 20 70 CEIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000159972702 533225492 /nfs/dbraw/zinc/22/54/92/533225492.db2.gz CKTFFTWJMMCISJ-UPJWGTAASA-N 1 0 276.355 2.282 20 70 CEIDRO CCOC(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)OCC ZINC000216768574 394452917 /nfs/dbraw/zinc/45/29/17/394452917.db2.gz DUMHJNJKPRUTEJ-OLZOCXBDSA-N 1 0 257.374 2.029 20 70 CEIDRO CC1(C)Cc2cccc(C[NH2+]C[C@H](O)C(F)(F)F)c2O1 ZINC000217795493 394456343 /nfs/dbraw/zinc/45/63/43/394456343.db2.gz JJZHMEJCPHEADN-NSHDSACASA-N 1 0 289.297 2.413 20 70 CEIDRO COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1Cl ZINC000161062546 395063644 /nfs/dbraw/zinc/06/36/44/395063644.db2.gz BEFDSTYXWALLRC-NSHDSACASA-N 1 0 284.743 2.048 20 70 CEIDRO C[C@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000161131969 395063654 /nfs/dbraw/zinc/06/36/54/395063654.db2.gz KAOUUFVSRIKANA-ZFWWWQNUSA-N 1 0 264.413 2.367 20 70 CEIDRO CCSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000217121315 400307037 /nfs/dbraw/zinc/30/70/37/400307037.db2.gz IIFATOKIWWUIAL-NSHDSACASA-N 1 0 264.394 2.233 20 70 CEIDRO COc1ccc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1O ZINC000217909330 153296111 /nfs/dbraw/zinc/29/61/11/153296111.db2.gz ZBJLYLZTVZPUOI-ZFWWWQNUSA-N 1 0 290.407 2.459 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000159387422 292426387 /nfs/dbraw/zinc/42/63/87/292426387.db2.gz DKHYKXDUHATOAR-GJZGRUSLSA-N 1 0 294.439 2.355 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000161448591 275478255 /nfs/dbraw/zinc/47/82/55/275478255.db2.gz GYQOXWPVKLSLML-UYSNPLJNSA-N 1 0 288.391 2.027 20 70 CEIDRO CCN(CCC[NH2+]Cc1c(C)cccc1C)S(C)(=O)=O ZINC000160380909 276343790 /nfs/dbraw/zinc/34/37/90/276343790.db2.gz UKTIHXRKCWNPDP-UHFFFAOYSA-N 1 0 298.452 2.065 20 70 CEIDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159558977 278430513 /nfs/dbraw/zinc/43/05/13/278430513.db2.gz WDTLMSCSDCTRJO-XQQFMLRXSA-N 1 0 296.411 2.058 20 70 CEIDRO Cc1ccc2c(CN(C)[C@@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000160127967 280095568 /nfs/dbraw/zinc/09/55/68/280095568.db2.gz VUXMOXIRMGRFDM-HNNXBMFYSA-N 1 0 286.375 2.271 20 70 CEIDRO C[C@]1(C(=O)Nc2ccn(-c3ccccc3)n2)CCC[NH2+]C1 ZINC000161330327 280151062 /nfs/dbraw/zinc/15/10/62/280151062.db2.gz FOWWRKMYHFITOY-INIZCTEOSA-N 1 0 284.363 2.201 20 70 CEIDRO CCN(CC[NH2+][C@H](C)[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000159455378 297428941 /nfs/dbraw/zinc/42/89/41/297428941.db2.gz DPFQKEYEOQVXST-OLZOCXBDSA-N 1 0 286.416 2.258 20 70 CEIDRO CC(C)(O)CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000159695449 297429882 /nfs/dbraw/zinc/42/98/82/297429882.db2.gz ODQHRTKAJBEIAM-LBPRGKRZSA-N 1 0 286.416 2.040 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161020783 297440479 /nfs/dbraw/zinc/44/04/79/297440479.db2.gz IHWSUUFURPPYTF-ZWNOBZJWSA-N 1 0 282.334 2.325 20 70 CEIDRO [NH3+]C[C@H]1CCCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160085505 303422452 /nfs/dbraw/zinc/42/24/52/303422452.db2.gz JJJQEIREUKRJQL-WFWUXJIDSA-N 1 0 276.424 2.256 20 70 CEIDRO O=C(NCC[C@H]1CC[NH2+]C1)C1C2CC3CC(C2)CC1C3 ZINC000160198461 303782037 /nfs/dbraw/zinc/78/20/37/303782037.db2.gz RHAPUHFOGDTDSD-WFWUXJIDSA-N 1 0 276.424 2.175 20 70 CEIDRO CC(C)C1(CNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000160817433 519549677 /nfs/dbraw/zinc/54/96/77/519549677.db2.gz JGMUREMOYJCWKE-UHFFFAOYSA-N 1 0 272.392 2.035 20 70 CEIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1COc2ccc(C)cc21 ZINC000160636976 520676862 /nfs/dbraw/zinc/67/68/62/520676862.db2.gz QMKJYOONWGVPNT-CQSZACIVSA-N 1 0 291.395 2.070 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000160610855 522393255 /nfs/dbraw/zinc/39/32/55/522393255.db2.gz FPPVIBPQPAMGMH-GFCCVEGCSA-N 1 0 284.359 2.282 20 70 CEIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000160098279 527254409 /nfs/dbraw/zinc/25/44/09/527254409.db2.gz POAIBVFOBNCBBG-GHMZBOCLSA-N 1 0 298.333 2.245 20 70 CEIDRO FC(F)(F)c1nnc(NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000160156649 344457546 /nfs/dbraw/zinc/45/75/46/344457546.db2.gz IKOIUAKHJOBJKW-SSDOTTSWSA-N 1 0 292.330 2.453 20 70 CEIDRO C[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccsc1 ZINC000160337956 344458520 /nfs/dbraw/zinc/45/85/20/344458520.db2.gz NTNQKCIJBKKBCV-LBPRGKRZSA-N 1 0 296.436 2.079 20 70 CEIDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)C[C@@H]1C ZINC000161486089 344464043 /nfs/dbraw/zinc/46/40/43/344464043.db2.gz SLQPBTWXQHRESF-RFQIPJPRSA-N 1 0 269.385 2.123 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cnc2ccccc2n1 ZINC000218318023 344536260 /nfs/dbraw/zinc/53/62/60/344536260.db2.gz KUKUHKSKGWIHHW-ZDUSSCGKSA-N 1 0 272.396 2.450 20 70 CEIDRO O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000159690090 232248029 /nfs/dbraw/zinc/24/80/29/232248029.db2.gz BROHBLQHQMSIOD-ONGXEEELSA-N 1 0 290.260 2.155 20 70 CEIDRO COc1cccc(CC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159458749 188426771 /nfs/dbraw/zinc/42/67/71/188426771.db2.gz FRBLZAQKXCHBEQ-UHFFFAOYSA-N 1 0 276.380 2.016 20 70 CEIDRO [NH3+]C1(CNC(=O)Cc2ccsc2)CCCCC1 ZINC000159594968 188433660 /nfs/dbraw/zinc/43/36/60/188433660.db2.gz OBUMZTHHNQOWAC-UHFFFAOYSA-N 1 0 252.383 2.068 20 70 CEIDRO CC(C)Cc1ccc(C(=O)CCC(=O)NCCC[NH3+])cc1 ZINC000160098210 188455063 /nfs/dbraw/zinc/45/50/63/188455063.db2.gz SRMPQPVQIGRDEC-UHFFFAOYSA-N 1 0 290.407 2.313 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000160784298 188491273 /nfs/dbraw/zinc/49/12/73/188491273.db2.gz GOMCFJZINRDRSD-GFCCVEGCSA-N 1 0 287.388 2.244 20 70 CEIDRO CC[NH+]1CCC(NC(=O)c2cccc(C)c2F)CC1 ZINC000161419094 188526826 /nfs/dbraw/zinc/52/68/26/188526826.db2.gz CFNUCGILEKSTGY-UHFFFAOYSA-N 1 0 264.344 2.348 20 70 CEIDRO CCCn1nccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000159974944 540109028 /nfs/dbraw/zinc/10/90/28/540109028.db2.gz KXJNDCXYHQURRX-UHFFFAOYSA-N 1 0 287.363 2.354 20 70 CEIDRO CCCn1nccc1C[NH2+]CCCCn1ccnc1 ZINC000160127655 540112084 /nfs/dbraw/zinc/11/20/84/540112084.db2.gz GJECXWKVTQSLDV-UHFFFAOYSA-N 1 0 261.373 2.060 20 70 CEIDRO Cc1cccc([C@@H](C)CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000160731556 540121262 /nfs/dbraw/zinc/12/12/62/540121262.db2.gz IGAQYJGKIVWMQX-CFVMTHIKSA-N 1 0 260.381 2.342 20 70 CEIDRO CSc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000161030446 540131028 /nfs/dbraw/zinc/13/10/28/540131028.db2.gz GLQPGIOFLGXKKN-IUCAKERBSA-N 1 0 254.355 2.001 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC000161060942 540132322 /nfs/dbraw/zinc/13/23/22/540132322.db2.gz RJTDRORBWHDXDD-KGLIPLIRSA-N 1 0 288.391 2.475 20 70 CEIDRO CC(C)Oc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161255383 540136001 /nfs/dbraw/zinc/13/60/01/540136001.db2.gz AKOWYCBVACPFMR-OLZOCXBDSA-N 1 0 276.380 2.474 20 70 CEIDRO Cc1oc(C)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161328283 540136940 /nfs/dbraw/zinc/13/69/40/540136940.db2.gz JDYKVGWKNGWGJW-RYUDHWBXSA-N 1 0 250.342 2.205 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000161385343 540137720 /nfs/dbraw/zinc/13/77/20/540137720.db2.gz DTEIAORDYICWSF-GHMZBOCLSA-N 1 0 284.306 2.288 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(OC(F)F)c2)C1 ZINC000161181295 540134858 /nfs/dbraw/zinc/13/48/58/540134858.db2.gz NLQPHNCCXUTAKY-QWRGUYRKSA-N 1 0 284.306 2.288 20 70 CEIDRO C[C@H](CC(=O)NCC1CC[NH+](C)CC1)c1ccncc1 ZINC000159724742 540430039 /nfs/dbraw/zinc/43/00/39/540430039.db2.gz ALYWYXGNTWPPTD-CYBMUJFWSA-N 1 0 275.396 2.033 20 70 CEIDRO Cc1[nH]nc(C(C)C)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000159939123 540440400 /nfs/dbraw/zinc/44/04/00/540440400.db2.gz OPTFARVUKORJOK-UHFFFAOYSA-N 1 0 278.400 2.008 20 70 CEIDRO CCCC[N@H+](C)CCNC(=O)C[C@@H](C)c1ccncc1 ZINC000160319393 540596916 /nfs/dbraw/zinc/59/69/16/540596916.db2.gz KPLZUEISIQOLGQ-CQSZACIVSA-N 1 0 277.412 2.423 20 70 CEIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000161180102 540739022 /nfs/dbraw/zinc/73/90/22/540739022.db2.gz WDIRDFATKZBJCE-UHFFFAOYSA-N 1 0 273.373 2.082 20 70 CEIDRO CS(=O)(=O)CCCC[N@H+](C1CC1)C1CCCC1 ZINC000161394411 540811954 /nfs/dbraw/zinc/81/19/54/540811954.db2.gz ICEGLEANZPVMOO-UHFFFAOYSA-N 1 0 259.415 2.218 20 70 CEIDRO CC[N@H+](CCNc1ccc(C(F)(F)F)nn1)C1CC1 ZINC000218001875 189712706 /nfs/dbraw/zinc/71/27/06/189712706.db2.gz MFFIIXJEMQGMFT-UHFFFAOYSA-N 1 0 274.290 2.392 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1c(F)cccc1F ZINC000159688280 366939934 /nfs/dbraw/zinc/93/99/34/366939934.db2.gz YIPFCYLYHVPNGV-NXEZZACHSA-N 1 0 268.307 2.051 20 70 CEIDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159495801 366919864 /nfs/dbraw/zinc/91/98/64/366919864.db2.gz SRIISJZOUNWYQH-GXTWGEPZSA-N 1 0 299.436 2.292 20 70 CEIDRO CC[C@H](C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000159552871 366924994 /nfs/dbraw/zinc/92/49/94/366924994.db2.gz CXJOALHWRKFKPK-ZNMIVQPWSA-N 1 0 282.428 2.275 20 70 CEIDRO CC1(C)C[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000159569627 366926489 /nfs/dbraw/zinc/92/64/89/366926489.db2.gz LXZGCEWONWEBGY-HNNXBMFYSA-N 1 0 294.439 2.136 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc2ncccc2c1 ZINC000159581629 366928614 /nfs/dbraw/zinc/92/86/14/366928614.db2.gz JSXQLKMEPVDSKT-WFASDCNBSA-N 1 0 283.375 2.321 20 70 CEIDRO Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1C ZINC000159614049 366932762 /nfs/dbraw/zinc/93/27/62/366932762.db2.gz LVUHNYQWRCZPHC-ZBFHGGJFSA-N 1 0 290.407 2.335 20 70 CEIDRO NC(=O)CC1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000159767053 366946916 /nfs/dbraw/zinc/94/69/16/366946916.db2.gz ISHIAJAFWNUQGQ-UHFFFAOYSA-N 1 0 283.375 2.322 20 70 CEIDRO CC[N@H+](C)[C@@H](C(=O)Nc1c[nH]c(=O)c(C)c1)c1ccccc1 ZINC000159649747 366935434 /nfs/dbraw/zinc/93/54/34/366935434.db2.gz OBQPKVMUVYIRPE-OAHLLOKOSA-N 1 0 299.374 2.315 20 70 CEIDRO COc1ccc(OC)c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159659106 366937543 /nfs/dbraw/zinc/93/75/43/366937543.db2.gz CAEXUZLQJOSJCG-WFASDCNBSA-N 1 0 279.380 2.297 20 70 CEIDRO [NH3+]CCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159807381 366949182 /nfs/dbraw/zinc/94/91/82/366949182.db2.gz PNPVUCYAMHUOBY-NSHDSACASA-N 1 0 252.745 2.005 20 70 CEIDRO C[N@H+](CCn1ccnc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000159830501 366952106 /nfs/dbraw/zinc/95/21/06/366952106.db2.gz WHDPMENRISVLCB-INIZCTEOSA-N 1 0 298.390 2.011 20 70 CEIDRO CC[C@H](C)OCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000159992383 366964093 /nfs/dbraw/zinc/96/40/93/366964093.db2.gz SORUKZGCQSWMAG-GOEBONIOSA-N 1 0 292.423 2.091 20 70 CEIDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCSCC)C1 ZINC000160219507 366984327 /nfs/dbraw/zinc/98/43/27/366984327.db2.gz VMODMUKHVDKHME-CYBMUJFWSA-N 1 0 272.458 2.368 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1occc1COc1ccccc1 ZINC000160076893 366971229 /nfs/dbraw/zinc/97/12/29/366971229.db2.gz HFGWCPGOFXXBNK-UHFFFAOYSA-N 1 0 288.347 2.326 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCCCOc2cccc(C)c2)C1 ZINC000160574895 367018335 /nfs/dbraw/zinc/01/83/35/367018335.db2.gz GNTPFAAJLWURRI-HNNXBMFYSA-N 1 0 290.407 2.364 20 70 CEIDRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cccc(-n2cccn2)c1 ZINC000160567014 367018450 /nfs/dbraw/zinc/01/84/50/367018450.db2.gz FZFVNMVZGIXKOY-XJKSGUPXSA-N 1 0 298.390 2.192 20 70 CEIDRO CCC(CC)CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000160580778 367019507 /nfs/dbraw/zinc/01/95/07/367019507.db2.gz SYLFYPZGQALQQJ-UHFFFAOYSA-N 1 0 267.417 2.160 20 70 CEIDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160413068 367003981 /nfs/dbraw/zinc/00/39/81/367003981.db2.gz XVVOWBZFHNQOAK-WCQYABFASA-N 1 0 286.379 2.261 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000160436883 367005204 /nfs/dbraw/zinc/00/52/04/367005204.db2.gz CRUKNXCETRRDCT-LBPRGKRZSA-N 1 0 278.396 2.432 20 70 CEIDRO COCC[N@@H+](Cc1ccccc1)CC1=CCCOC1 ZINC000160450709 367006486 /nfs/dbraw/zinc/00/64/86/367006486.db2.gz MUNIGQQKAQMDDV-UHFFFAOYSA-N 1 0 261.365 2.482 20 70 CEIDRO CN(C(=O)CCC1CCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161338479 367079456 /nfs/dbraw/zinc/07/94/56/367079456.db2.gz HUJLAXJGLWKROY-PBWFPOADSA-N 1 0 250.386 2.308 20 70 CEIDRO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160906407 367042414 /nfs/dbraw/zinc/04/24/14/367042414.db2.gz KZMLNOFWXZDZPU-NUEKZKHPSA-N 1 0 272.392 2.391 20 70 CEIDRO C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CCN1C ZINC000160945294 367044980 /nfs/dbraw/zinc/04/49/80/367044980.db2.gz NSWKAZJYGRAFQW-CWRNSKLLSA-N 1 0 262.397 2.182 20 70 CEIDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC000160989883 367048566 /nfs/dbraw/zinc/04/85/66/367048566.db2.gz QIZQLOZUVAOSSU-CQSZACIVSA-N 1 0 292.427 2.062 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc(C)cc2)CC1 ZINC000161025096 367050001 /nfs/dbraw/zinc/05/00/01/367050001.db2.gz NGQUWHGGYMJPEL-JCYILVPMSA-N 1 0 290.407 2.065 20 70 CEIDRO CC(C)(CNC(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000161075501 367053404 /nfs/dbraw/zinc/05/34/04/367053404.db2.gz PJXSLHSABZNJGJ-UHFFFAOYSA-N 1 0 274.408 2.371 20 70 CEIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000161134275 367061102 /nfs/dbraw/zinc/06/11/02/367061102.db2.gz HNTUTKCSIUMYNL-LBPRGKRZSA-N 1 0 253.390 2.103 20 70 CEIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cc(Cl)nc(N)n2)C1 ZINC000161302928 367075480 /nfs/dbraw/zinc/07/54/80/367075480.db2.gz DROYJGISAJLSCU-LLVKDONJSA-N 1 0 297.834 2.492 20 70 CEIDRO COc1cccc(CN(C)C[C@H]2CCC[N@H+](C)C2)c1OC ZINC000161291475 367075888 /nfs/dbraw/zinc/07/58/88/367075888.db2.gz WASUWSVYOLKNPZ-AWEZNQCLSA-N 1 0 292.423 2.477 20 70 CEIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1(C)CCC1 ZINC000161389894 367082324 /nfs/dbraw/zinc/08/23/24/367082324.db2.gz BMCQYRQTKRPJQO-ZDUSSCGKSA-N 1 0 267.417 2.493 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000161422001 367084968 /nfs/dbraw/zinc/08/49/68/367084968.db2.gz AKSPTQUJNFJJSU-YDHLFZDLSA-N 1 0 260.381 2.247 20 70 CEIDRO COC(C[NH+]1CCC(N(C)c2ccccc2)CC1)OC ZINC000161420527 367084987 /nfs/dbraw/zinc/08/49/87/367084987.db2.gz SVYOSOOKPMYCPO-UHFFFAOYSA-N 1 0 278.396 2.206 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000160680156 532956847 /nfs/dbraw/zinc/95/68/47/532956847.db2.gz BJDWUOYYVUUOFR-SNVBAGLBSA-N 1 0 272.801 2.154 20 70 CEIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000218769656 394456642 /nfs/dbraw/zinc/45/66/42/394456642.db2.gz RIADTWLWBSYFCC-YWPYICTPSA-N 1 0 299.436 2.148 20 70 CEIDRO CC(C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159585690 395058586 /nfs/dbraw/zinc/05/85/86/395058586.db2.gz AYUNVERSTCYWGH-HOCLYGCPSA-N 1 0 272.392 2.378 20 70 CEIDRO COC(=O)c1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1Cl ZINC000161062679 395063499 /nfs/dbraw/zinc/06/34/99/395063499.db2.gz BEFDSTYXWALLRC-LLVKDONJSA-N 1 0 284.743 2.048 20 70 CEIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H](C)[NH3+] ZINC000161051565 400283811 /nfs/dbraw/zinc/28/38/11/400283811.db2.gz IVIBYVHORAUJAA-ZJUUUORDSA-N 1 0 254.761 2.077 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161052492 400283903 /nfs/dbraw/zinc/28/39/03/400283903.db2.gz NVEMNDDGJSATOZ-GWCFXTLKSA-N 1 0 268.788 2.467 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000161059659 400284275 /nfs/dbraw/zinc/28/42/75/400284275.db2.gz BZNPGPHMFYMPKJ-JIMOISOXSA-N 1 0 284.787 2.270 20 70 CEIDRO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COC(C)C)n1 ZINC000159771808 162311625 /nfs/dbraw/zinc/31/16/25/162311625.db2.gz LPLROCSNXUGSNZ-HOCLYGCPSA-N 1 0 278.396 2.313 20 70 CEIDRO COc1cc(OC)nc(NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000159776308 162312140 /nfs/dbraw/zinc/31/21/40/162312140.db2.gz DSBFIFFECLCUMY-LBPRGKRZSA-N 1 0 294.399 2.028 20 70 CEIDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(C)n1 ZINC000159689611 162312454 /nfs/dbraw/zinc/31/24/54/162312454.db2.gz FLSSDDRAYVOTQF-UHFFFAOYSA-N 1 0 261.369 2.090 20 70 CEIDRO CC[C@H]1COCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159713914 162312924 /nfs/dbraw/zinc/31/29/24/162312924.db2.gz DWOXSNSUBKJUHK-HNNXBMFYSA-N 1 0 296.455 2.382 20 70 CEIDRO Cc1ccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159850574 162315643 /nfs/dbraw/zinc/31/56/43/162315643.db2.gz VUMXETPYAVZPLL-KFWWJZLASA-N 1 0 288.391 2.115 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CCc1ccc(Cl)s1 ZINC000159993346 162318052 /nfs/dbraw/zinc/31/80/52/162318052.db2.gz GBKDHPVERQQSKS-UHFFFAOYSA-N 1 0 260.790 2.188 20 70 CEIDRO CSCCCCC(=O)NCC[NH+]1CCCCC1 ZINC000159892690 162320405 /nfs/dbraw/zinc/32/04/05/162320405.db2.gz HIXGJKVUFFGKGL-UHFFFAOYSA-N 1 0 258.431 2.122 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000160359167 162328508 /nfs/dbraw/zinc/32/85/08/162328508.db2.gz UZESBEJVESYZJE-AWEZNQCLSA-N 1 0 250.386 2.287 20 70 CEIDRO CCCS(=O)(=O)CCN1CCC[C@@H]1c1cccc(C)n1 ZINC000160289554 165033450 /nfs/dbraw/zinc/03/34/50/165033450.db2.gz GMTZFOITTYVWMV-OAHLLOKOSA-N 1 0 296.436 2.352 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C(C)C)N2CCCC2)CC1 ZINC000161268727 277024435 /nfs/dbraw/zinc/02/44/35/277024435.db2.gz NKUGTRJDFABFTH-JCYILVPMSA-N 1 0 295.471 2.144 20 70 CEIDRO COC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC000160741737 277247955 /nfs/dbraw/zinc/24/79/55/277247955.db2.gz WQTNHSVLPUBEJN-IUODEOHRSA-N 1 0 274.364 2.127 20 70 CEIDRO CCCN(C(=O)C[NH2+]C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000160614048 278744105 /nfs/dbraw/zinc/74/41/05/278744105.db2.gz SVPZNLXNAOHBTR-KGLIPLIRSA-N 1 0 282.428 2.182 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000160124473 280095564 /nfs/dbraw/zinc/09/55/64/280095564.db2.gz UTKBLZXNOQPNNK-UHFFFAOYSA-N 1 0 278.249 2.312 20 70 CEIDRO C[C@@]([NH3+])(C(=O)N1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000159793378 289109897 /nfs/dbraw/zinc/10/98/97/289109897.db2.gz HWWUPXQHWSAFPF-ZENOOKHLSA-N 1 0 258.365 2.119 20 70 CEIDRO COc1ccc([C@H](C)CCNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160556193 295234357 /nfs/dbraw/zinc/23/43/57/295234357.db2.gz SRPNUTSLKOIGJU-UKRRQHHQSA-N 1 0 290.407 2.447 20 70 CEIDRO CC[NH+](CC)CCCNC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000159697889 297430012 /nfs/dbraw/zinc/43/00/12/297430012.db2.gz WRXALPIJBBVCIT-KGLIPLIRSA-N 1 0 269.433 2.406 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NCc1ccccc1OCC1CC1 ZINC000160099857 297432912 /nfs/dbraw/zinc/43/29/12/297432912.db2.gz JQSXQVBAGJBHJE-UHFFFAOYSA-N 1 0 290.407 2.480 20 70 CEIDRO CS[C@@H](C)CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000161365309 297444381 /nfs/dbraw/zinc/44/43/81/297444381.db2.gz MBAIHCVIHSJHEL-LBPRGKRZSA-N 1 0 272.458 2.365 20 70 CEIDRO CS[C@H](C)CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000161174208 312643139 /nfs/dbraw/zinc/64/31/39/312643139.db2.gz GOUUIZWEYSPQKL-NEPJUHHUSA-N 1 0 260.447 2.221 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000160574393 519903091 /nfs/dbraw/zinc/90/30/91/519903091.db2.gz MHSPHGXAVPXSAR-XJKSGUPXSA-N 1 0 290.407 2.341 20 70 CEIDRO CCCC[C@H](COC)NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160410583 521195025 /nfs/dbraw/zinc/19/50/25/521195025.db2.gz OKGXVTFYYQFRGM-HUUCEWRRSA-N 1 0 299.459 2.173 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)c2ccccc2n1 ZINC000161185267 522051264 /nfs/dbraw/zinc/05/12/64/522051264.db2.gz PPDULBPEXGMDBS-ZDUSSCGKSA-N 1 0 283.375 2.367 20 70 CEIDRO COC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)C(C)C ZINC000160683499 522355480 /nfs/dbraw/zinc/35/54/80/522355480.db2.gz OPGQYXHFVQVWBR-SWLSCSKDSA-N 1 0 276.380 2.373 20 70 CEIDRO COC[C@H]([NH2+]CCCc1nnc2n1CCCCC2)C(C)C ZINC000161176125 522736163 /nfs/dbraw/zinc/73/61/63/522736163.db2.gz PRDQBXSXUJLZGB-AWEZNQCLSA-N 1 0 294.443 2.198 20 70 CEIDRO CO[C@@H]1CCN(CCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000160982511 523685836 /nfs/dbraw/zinc/68/58/36/523685836.db2.gz WYLLAFHTRZMGHE-JKSUJKDBSA-N 1 0 262.397 2.057 20 70 CEIDRO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160806268 524201084 /nfs/dbraw/zinc/20/10/84/524201084.db2.gz IBSHFVMFMGVMCU-ZIAGYGMSSA-N 1 0 279.428 2.445 20 70 CEIDRO Cc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000161005340 524608962 /nfs/dbraw/zinc/60/89/62/524608962.db2.gz RIWOCHPBXSKYKL-AWEZNQCLSA-N 1 0 269.348 2.246 20 70 CEIDRO COc1ccccc1[C@@H]1CCC[N@H+]1CC(OC)OC ZINC000160876771 524753499 /nfs/dbraw/zinc/75/34/99/524753499.db2.gz WBUOFEHQFDABDW-ZDUSSCGKSA-N 1 0 265.353 2.451 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161231988 525546290 /nfs/dbraw/zinc/54/62/90/525546290.db2.gz IMCFINSIPHLYLV-WDEREUQCSA-N 1 0 260.447 2.398 20 70 CEIDRO O=C(c1ccc(F)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160752843 526692538 /nfs/dbraw/zinc/69/25/38/526692538.db2.gz GRHFEOGTLOJVDW-PHIMTYICSA-N 1 0 282.746 2.446 20 70 CEIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000159667112 526739417 /nfs/dbraw/zinc/73/94/17/526739417.db2.gz CAGBRJZPMLYMMV-KBPBESRZSA-N 1 0 296.455 2.463 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+]C1[C@H](C)CCC[C@@H]1C)CC2 ZINC000160474019 527197869 /nfs/dbraw/zinc/19/78/69/527197869.db2.gz KFWHXLHCSBYHMT-SEZBRQKHSA-N 1 0 262.401 2.316 20 70 CEIDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000159925649 295659629 /nfs/dbraw/zinc/65/96/29/295659629.db2.gz LJMMEFLOTIWLQJ-ZFWWWQNUSA-N 1 0 292.379 2.102 20 70 CEIDRO C[C@@H](CC(=O)N(C)CC[NH+]1CCCC1)c1ccncc1 ZINC000159989046 539278435 /nfs/dbraw/zinc/27/84/35/539278435.db2.gz WQDILGSCCRHUKF-AWEZNQCLSA-N 1 0 275.396 2.129 20 70 CEIDRO CCSCC[N@H+](CCC1CCCCC1)CC(N)=O ZINC000160208406 344457725 /nfs/dbraw/zinc/45/77/25/344457725.db2.gz KZOCGXCZBAPWNK-UHFFFAOYSA-N 1 0 272.458 2.497 20 70 CEIDRO CC1(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCCC1 ZINC000160724740 344461037 /nfs/dbraw/zinc/46/10/37/344461037.db2.gz JNGGNWWSMOJMQQ-AWEZNQCLSA-N 1 0 279.428 2.493 20 70 CEIDRO C[C@H](O)C[N@H+](CCOCC1CC1)C1CCCCC1 ZINC000160311903 232250589 /nfs/dbraw/zinc/25/05/89/232250589.db2.gz NVOSCXLLAWUFAY-ZDUSSCGKSA-N 1 0 255.402 2.429 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000160546417 188479057 /nfs/dbraw/zinc/47/90/57/188479057.db2.gz WHZAHFOOEHDSRF-NSHDSACASA-N 1 0 280.799 2.343 20 70 CEIDRO Cc1noc(C)c1[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159632665 540100918 /nfs/dbraw/zinc/10/09/18/540100918.db2.gz INEBZJWFNYYXLE-JTQLQIEISA-N 1 0 279.384 2.173 20 70 CEIDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000160649446 540120550 /nfs/dbraw/zinc/12/05/50/540120550.db2.gz ZKPVXOSCCLRIKL-LSDHHAIUSA-N 1 0 272.392 2.486 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2cccc(Cl)c2)C1 ZINC000160866527 540125706 /nfs/dbraw/zinc/12/57/06/540125706.db2.gz RYHFFDYWYJJUSN-STQMWFEESA-N 1 0 296.798 2.495 20 70 CEIDRO CCCc1ncc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161192264 540135048 /nfs/dbraw/zinc/13/50/48/540135048.db2.gz MDNFJDNRATYKNR-NXEZZACHSA-N 1 0 267.398 2.095 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(Br)c2)C1 ZINC000161179257 540135151 /nfs/dbraw/zinc/13/51/51/540135151.db2.gz UOLFFFWWXNIKCL-NWDGAFQWSA-N 1 0 297.196 2.449 20 70 CEIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000159532282 540414576 /nfs/dbraw/zinc/41/45/76/540414576.db2.gz MQXYFPVCTNOGAT-OAHLLOKOSA-N 1 0 276.355 2.415 20 70 CEIDRO C[C@H](CC(=O)N(C)CC[NH+]1CCCC1)c1ccncc1 ZINC000159989211 540441428 /nfs/dbraw/zinc/44/14/28/540441428.db2.gz WQDILGSCCRHUKF-CQSZACIVSA-N 1 0 275.396 2.129 20 70 CEIDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC(=O)NCC(F)(F)F ZINC000160532470 540615332 /nfs/dbraw/zinc/61/53/32/540615332.db2.gz PDPUCWDLIIBNMB-LBPRGKRZSA-N 1 0 286.297 2.250 20 70 CEIDRO O=C(NC1CC1)[C@H]([NH2+]C1CC=CC1)c1ccccc1 ZINC000160892381 540677556 /nfs/dbraw/zinc/67/75/56/540677556.db2.gz GJMSMSSSDLHBCH-OAHLLOKOSA-N 1 0 256.349 2.315 20 70 CEIDRO Cc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cn1 ZINC000161473871 540835038 /nfs/dbraw/zinc/83/50/38/540835038.db2.gz GCKCVBYJUNTHBV-UHFFFAOYSA-N 1 0 276.384 2.243 20 70 CEIDRO C[C@@]1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCCS1 ZINC000159732118 366943596 /nfs/dbraw/zinc/94/35/96/366943596.db2.gz UAPWPMSNOJIQAE-HNNXBMFYSA-N 1 0 297.468 2.198 20 70 CEIDRO C[C@@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159374173 366907994 /nfs/dbraw/zinc/90/79/94/366907994.db2.gz HLGFFASEDYMUTE-YOEHRIQHSA-N 1 0 272.392 2.392 20 70 CEIDRO C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CC[C@@H]1O ZINC000159398178 366909450 /nfs/dbraw/zinc/90/94/50/366909450.db2.gz NQCZFBDHVVJTOX-WBMJQRKESA-N 1 0 256.349 2.438 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000159499423 366918942 /nfs/dbraw/zinc/91/89/42/366918942.db2.gz ZDMJATBYDTZPBX-AWEZNQCLSA-N 1 0 291.395 2.199 20 70 CEIDRO Cc1cccc2c(CCNC(=O)[C@H]3CCCC[NH2+]3)c[nH]c21 ZINC000159559268 366925417 /nfs/dbraw/zinc/92/54/17/366925417.db2.gz XLLCHVZPZSEPFQ-OAHLLOKOSA-N 1 0 285.391 2.277 20 70 CEIDRO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159560403 366927399 /nfs/dbraw/zinc/92/73/99/366927399.db2.gz BIUIOXOXLSSYMW-ZDUSSCGKSA-N 1 0 276.380 2.358 20 70 CEIDRO Cc1nc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159602829 366931455 /nfs/dbraw/zinc/93/14/55/366931455.db2.gz JDBHYEQXBBVMII-AVGNSLFASA-N 1 0 264.394 2.499 20 70 CEIDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000159621331 366933110 /nfs/dbraw/zinc/93/31/10/366933110.db2.gz VLNKKVJJUUWEGI-ZDUSSCGKSA-N 1 0 287.363 2.028 20 70 CEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159762967 366946944 /nfs/dbraw/zinc/94/69/44/366946944.db2.gz RBJXRPOROKEYLJ-UONOGXRCSA-N 1 0 269.433 2.452 20 70 CEIDRO CC[C@H](C)OCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000159656549 366937841 /nfs/dbraw/zinc/93/78/41/366937841.db2.gz YNNWEYUPJJEIQS-WFASDCNBSA-N 1 0 296.386 2.360 20 70 CEIDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(C)c1 ZINC000159784022 366948027 /nfs/dbraw/zinc/94/80/27/366948027.db2.gz SVSLCNLSSABZNB-UHFFFAOYSA-N 1 0 260.381 2.391 20 70 CEIDRO COc1ccc(CN(C)Cc2cnc3cnccn23)cc1 ZINC000159853531 366953313 /nfs/dbraw/zinc/95/33/13/366953313.db2.gz FGYNRJRZRLLHPN-UHFFFAOYSA-N 1 0 282.347 2.370 20 70 CEIDRO Cc1ccc(C(C)C)cc1OCC(=O)NCC(C)(C)[NH3+] ZINC000159981449 366964196 /nfs/dbraw/zinc/96/41/96/366964196.db2.gz FXKOCTBXYPAXHZ-UHFFFAOYSA-N 1 0 278.396 2.351 20 70 CEIDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000160134850 366976134 /nfs/dbraw/zinc/97/61/34/366976134.db2.gz RVVSGSMFHZIPLF-MNOVXSKESA-N 1 0 252.383 2.062 20 70 CEIDRO CC[C@@H](C(=O)NC[C@H](C)Cc1cccs1)[NH+](C)C ZINC000160178022 366979969 /nfs/dbraw/zinc/97/99/69/366979969.db2.gz CWLHBPDRZDFKIU-YPMHNXCESA-N 1 0 268.426 2.383 20 70 CEIDRO O=C(CCc1ccsc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160333802 366997250 /nfs/dbraw/zinc/99/72/50/366997250.db2.gz FUOJZSKTPFYOSR-BETUJISGSA-N 1 0 264.394 2.034 20 70 CEIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncccn1 ZINC000160231344 366985405 /nfs/dbraw/zinc/98/54/05/366985405.db2.gz XZCYDCMZPJYJFV-ZFWWWQNUSA-N 1 0 268.364 2.409 20 70 CEIDRO CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160256305 366987804 /nfs/dbraw/zinc/98/78/04/366987804.db2.gz WGPJGNBDPVGIER-YPMHNXCESA-N 1 0 264.394 2.117 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000160258022 366988014 /nfs/dbraw/zinc/98/80/14/366988014.db2.gz ZEYZHRKQAGLIHR-JTQLQIEISA-N 1 0 299.802 2.027 20 70 CEIDRO CCCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1OCC ZINC000160282339 366990618 /nfs/dbraw/zinc/99/06/18/366990618.db2.gz GXCQWFYXRDLXRG-CYBMUJFWSA-N 1 0 292.379 2.047 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NC1CCCCCC1 ZINC000160091304 366971183 /nfs/dbraw/zinc/97/11/83/366971183.db2.gz RDFHUXZHPKBTPF-CPUCHLNUSA-N 1 0 294.439 2.358 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000160610789 367022809 /nfs/dbraw/zinc/02/28/09/367022809.db2.gz UHCUCPZWQCCGBK-JTQLQIEISA-N 1 0 299.802 2.027 20 70 CEIDRO CC(C)(C)c1cnc(CNC(=O)c2ccc(C[NH3+])cc2)o1 ZINC000160638113 367023411 /nfs/dbraw/zinc/02/34/11/367023411.db2.gz BTRLLMOKNLWPOA-UHFFFAOYSA-N 1 0 287.363 2.361 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CSc1ccc(O)cc1 ZINC000160444290 367006369 /nfs/dbraw/zinc/00/63/69/367006369.db2.gz XTSFTHDXNPEODN-UHFFFAOYSA-N 1 0 282.409 2.118 20 70 CEIDRO C[C@@]1(C(=O)NCCc2ccccc2Cl)CCC[NH2+]C1 ZINC000161333744 367079357 /nfs/dbraw/zinc/07/93/57/367079357.db2.gz ZIRZEPDQZWYNMO-OAHLLOKOSA-N 1 0 280.799 2.388 20 70 CEIDRO COC(C)(C)C[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000160968664 367046939 /nfs/dbraw/zinc/04/69/39/367046939.db2.gz YGMHCFPUNLDJLT-OLZOCXBDSA-N 1 0 284.444 2.332 20 70 CEIDRO O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H](c2ccccc2)C1 ZINC000160995099 367048676 /nfs/dbraw/zinc/04/86/76/367048676.db2.gz KWDFOTLFJFEQAP-HZPDHXFCSA-N 1 0 295.386 2.462 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000161024976 367049639 /nfs/dbraw/zinc/04/96/39/367049639.db2.gz NGQUWHGGYMJPEL-OFLPRAFFSA-N 1 0 290.407 2.065 20 70 CEIDRO C[C@H](CNC(=O)CC1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161124273 367059094 /nfs/dbraw/zinc/05/90/94/367059094.db2.gz KEVFFTFEFPVGOF-GFCCVEGCSA-N 1 0 294.370 2.099 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCc1ccc(OC)cc1 ZINC000161161433 367063373 /nfs/dbraw/zinc/06/33/73/367063373.db2.gz BOGBGCZSFZANJL-HNNXBMFYSA-N 1 0 290.407 2.228 20 70 CEIDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000161163367 367063650 /nfs/dbraw/zinc/06/36/50/367063650.db2.gz ZOYZSSSRSCOKOA-LBPRGKRZSA-N 1 0 267.417 2.443 20 70 CEIDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161368997 367080969 /nfs/dbraw/zinc/08/09/69/367080969.db2.gz JIWPDUMXYAAMOX-JQWIXIFHSA-N 1 0 280.368 2.008 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161260825 367073022 /nfs/dbraw/zinc/07/30/22/367073022.db2.gz VTSPFQWFTRTVSV-HUUCEWRRSA-N 1 0 292.448 2.204 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1nc2ccccc2o1 ZINC000161329896 367077948 /nfs/dbraw/zinc/07/79/48/367077948.db2.gz YRGHJSTWKCPXAH-IDVQTMNDSA-N 1 0 285.347 2.051 20 70 CEIDRO CCC(CC)n1ncc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1C ZINC000160653983 367025608 /nfs/dbraw/zinc/02/56/08/367025608.db2.gz OIFADBRHUFVXLM-ZDUSSCGKSA-N 1 0 292.427 2.234 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(C(C)C)cc2)C1 ZINC000160699406 367027761 /nfs/dbraw/zinc/02/77/61/367027761.db2.gz BYQCMSDSCVONMX-AWEZNQCLSA-N 1 0 276.380 2.009 20 70 CEIDRO CC(C)[N@H+](C)CC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160727808 367029614 /nfs/dbraw/zinc/02/96/14/367029614.db2.gz XKZFWUOITSIFJD-UHFFFAOYSA-N 1 0 297.468 2.440 20 70 CEIDRO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C[NH2+]CCOC ZINC000161386029 367082593 /nfs/dbraw/zinc/08/25/93/367082593.db2.gz PQMZEJOXKZNUAT-INIZCTEOSA-N 1 0 292.423 2.011 20 70 CEIDRO CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000161174626 249319647 /nfs/dbraw/zinc/31/96/47/249319647.db2.gz AVEUVRVTGAYAPO-IHRRRGAJSA-N 1 0 282.428 2.086 20 70 CEIDRO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)c(C)c1 ZINC000159561421 395058509 /nfs/dbraw/zinc/05/85/09/395058509.db2.gz URNUETKOIPFBNV-KGLIPLIRSA-N 1 0 278.396 2.251 20 70 CEIDRO Cc1ccc(C[C@H](C)N(C)C(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000159639178 292109696 /nfs/dbraw/zinc/10/96/96/292109696.db2.gz INIICTIMALEGFD-BBRMVZONSA-N 1 0 278.371 2.086 20 70 CEIDRO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000161050968 400283818 /nfs/dbraw/zinc/28/38/18/400283818.db2.gz PPSCNOAFUABGGD-BMIGLBTASA-N 1 0 280.343 2.011 20 70 CEIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCC[NH3+] ZINC000161053351 400284105 /nfs/dbraw/zinc/28/41/05/400284105.db2.gz NWRFIZDBDSSUDV-LLVKDONJSA-N 1 0 268.788 2.468 20 70 CEIDRO CCc1ncnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000217977758 153297038 /nfs/dbraw/zinc/29/70/38/153297038.db2.gz BKLCXPXPPBWKRW-GHMZBOCLSA-N 1 0 264.348 2.217 20 70 CEIDRO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159720186 162312574 /nfs/dbraw/zinc/31/25/74/162312574.db2.gz OFQSDPIPWYWLQI-ABSNHQIMSA-N 1 0 296.455 2.163 20 70 CEIDRO CC(C)c1ncc(C[NH+]2CCC(CC(N)=O)CC2)s1 ZINC000159729649 162314099 /nfs/dbraw/zinc/31/40/99/162314099.db2.gz VIQZDZJBNLKYGU-UHFFFAOYSA-N 1 0 281.425 2.354 20 70 CEIDRO O=C(c1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159880652 162316106 /nfs/dbraw/zinc/31/61/06/162316106.db2.gz YCJIQMLNLITWMW-BETUJISGSA-N 1 0 264.756 2.307 20 70 CEIDRO Cc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159850454 162316340 /nfs/dbraw/zinc/31/63/40/162316340.db2.gz VUMXETPYAVZPLL-SOUVJXGZSA-N 1 0 288.391 2.115 20 70 CEIDRO CN(C(=O)c1coc2ccccc12)[C@H](C[NH3+])C1CC1 ZINC000159851414 162316974 /nfs/dbraw/zinc/31/69/74/162316974.db2.gz KIEXWXMLNVJFCL-CYBMUJFWSA-N 1 0 258.321 2.242 20 70 CEIDRO C[NH2+]C[C@@H](C)CNc1ccncc1Br ZINC000159921742 162318885 /nfs/dbraw/zinc/31/88/85/162318885.db2.gz YPLYLAALDYBWNL-MRVPVSSYSA-N 1 0 258.163 2.112 20 70 CEIDRO COc1cc(CN(C)CC[C@H]([NH3+])C(C)C)cc2c1OCO2 ZINC000159994373 162320417 /nfs/dbraw/zinc/32/04/17/162320417.db2.gz FKDBKYFKLDPEAI-ZDUSSCGKSA-N 1 0 294.395 2.229 20 70 CEIDRO CC(C)Oc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000160038446 162322724 /nfs/dbraw/zinc/32/27/24/162322724.db2.gz KEBQNORBDRQCOM-UKRRQHHQSA-N 1 0 277.412 2.441 20 70 CEIDRO CCOC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160139071 162323184 /nfs/dbraw/zinc/32/31/84/162323184.db2.gz LPSYWNBKZFYTJO-AWEZNQCLSA-N 1 0 262.353 2.480 20 70 CEIDRO C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCCCC2)C1 ZINC000160571030 287371979 /nfs/dbraw/zinc/37/19/79/287371979.db2.gz QSHLLEYEODIXKL-ZIAGYGMSSA-N 1 0 252.402 2.415 20 70 CEIDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000218256206 263135607 /nfs/dbraw/zinc/13/56/07/263135607.db2.gz YRRWKGFTXJRCEA-MQYQWHSLSA-N 1 0 252.402 2.173 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000159517942 276162393 /nfs/dbraw/zinc/16/23/93/276162393.db2.gz LOJRUWMYACXDNC-KBPBESRZSA-N 1 0 267.417 2.302 20 70 CEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161073110 276318030 /nfs/dbraw/zinc/31/80/30/276318030.db2.gz QEVBHVBNDISLHF-GDBMZVCRSA-N 1 0 292.423 2.347 20 70 CEIDRO CCS[C@H]1CCCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000159766398 276511630 /nfs/dbraw/zinc/51/16/30/276511630.db2.gz NRXKXSIJMUXCSY-OLZOCXBDSA-N 1 0 270.442 2.120 20 70 CEIDRO CN(Cc1cn2cc(Cl)ccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000159999197 276997744 /nfs/dbraw/zinc/99/77/44/276997744.db2.gz KJHRZWLPVKWOTH-ZDUSSCGKSA-N 1 0 278.787 2.157 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C)N2CCC(C)CC2)CC1 ZINC000161379998 277024622 /nfs/dbraw/zinc/02/46/22/277024622.db2.gz OVPUBCZABNJCII-ODIFPOPNSA-N 1 0 295.471 2.144 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Oc1ccc(F)cc1 ZINC000161244444 278585394 /nfs/dbraw/zinc/58/53/94/278585394.db2.gz NICJJRROTYDCIQ-LBPRGKRZSA-N 1 0 296.386 2.474 20 70 CEIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C[C@@H]1C ZINC000161477343 279593654 /nfs/dbraw/zinc/59/36/54/279593654.db2.gz HAFWOUHVWPHLDB-NVLWSQAISA-N 1 0 283.412 2.247 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000161178041 282070756 /nfs/dbraw/zinc/07/07/56/282070756.db2.gz LVSDWBXGWMZTCW-UONOGXRCSA-N 1 0 284.444 2.463 20 70 CEIDRO CC(C)c1ccc(N(C)C(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000161461326 519836562 /nfs/dbraw/zinc/83/65/62/519836562.db2.gz WAILDERQNZHOEM-HNNXBMFYSA-N 1 0 264.344 2.474 20 70 CEIDRO C(CN1CCOCC12CCC2)C[NH+]1CCCCC1 ZINC000161447300 518385514 /nfs/dbraw/zinc/38/55/14/518385514.db2.gz OWBOWTGIXWGUKX-UHFFFAOYSA-N 1 0 252.402 2.117 20 70 CEIDRO CC(C)[N@H+]1C[C@H](NC(=O)CNc2cccc(F)c2)[C@@H](C)C1 ZINC000161410703 519696651 /nfs/dbraw/zinc/69/66/51/519696651.db2.gz SMFBYCOOMOUTFQ-WFASDCNBSA-N 1 0 293.386 2.083 20 70 CEIDRO CCN(C)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000160382085 520181658 /nfs/dbraw/zinc/18/16/58/520181658.db2.gz GFXGLRUYPQHVEI-UHFFFAOYSA-N 1 0 253.390 2.008 20 70 CEIDRO CC[NH+](CC)C[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160866126 520742283 /nfs/dbraw/zinc/74/22/83/520742283.db2.gz WRFCXLKVFNXXFY-OAHLLOKOSA-N 1 0 286.423 2.498 20 70 CEIDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC000161323311 521716916 /nfs/dbraw/zinc/71/69/16/521716916.db2.gz PBLHSAFAHWBXHE-BFHYXJOUSA-N 1 0 252.402 2.271 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H]2CC[N@H+](CC)C2)on1 ZINC000161327097 522421161 /nfs/dbraw/zinc/42/11/61/522421161.db2.gz WPHIYVGMCIXGGL-VXGBXAGGSA-N 1 0 279.384 2.260 20 70 CEIDRO CCc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000161329915 523906919 /nfs/dbraw/zinc/90/69/19/523906919.db2.gz DBGSWRMUDOXJOU-INIZCTEOSA-N 1 0 286.419 2.392 20 70 CEIDRO CCc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000161316624 523907838 /nfs/dbraw/zinc/90/78/38/523907838.db2.gz MMISEZUPDLAJPR-INIZCTEOSA-N 1 0 274.408 2.250 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cncc(OC(C)C)c1 ZINC000161387771 523920993 /nfs/dbraw/zinc/92/09/93/523920993.db2.gz DYAAOAQGZSLMNP-ZDUSSCGKSA-N 1 0 293.411 2.329 20 70 CEIDRO CCCN(CCC[NH+]1CCCCC1)CC(=O)OCC ZINC000160708881 528071638 /nfs/dbraw/zinc/07/16/38/528071638.db2.gz BBFGCIJFWGOYHG-UHFFFAOYSA-N 1 0 270.417 2.138 20 70 CEIDRO CC(C)c1ncc(C(=O)NCC2CC[NH+](C)CC2)s1 ZINC000161290746 528341327 /nfs/dbraw/zinc/34/13/27/528341327.db2.gz YAYOJPNXBUMOCT-UHFFFAOYSA-N 1 0 281.425 2.338 20 70 CEIDRO CC(C)[N@H+](CCCN1CCOCC1)CCc1nccs1 ZINC000159911026 528879523 /nfs/dbraw/zinc/87/95/23/528879523.db2.gz YKVQYYBOGUSKCR-UHFFFAOYSA-N 1 0 297.468 2.118 20 70 CEIDRO CC[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000160465147 529271572 /nfs/dbraw/zinc/27/15/72/529271572.db2.gz KZRVWUDUTBXLKD-CYBMUJFWSA-N 1 0 261.431 2.464 20 70 CEIDRO CCOCCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000159606612 344455855 /nfs/dbraw/zinc/45/58/55/344455855.db2.gz LIQVIPVSIGDJMY-UHFFFAOYSA-N 1 0 296.436 2.369 20 70 CEIDRO CCc1ccc(CC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160501099 188476234 /nfs/dbraw/zinc/47/62/34/188476234.db2.gz KBQMPDKTACPBRO-UHFFFAOYSA-N 1 0 262.397 2.425 20 70 CEIDRO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000160905565 188496937 /nfs/dbraw/zinc/49/69/37/188496937.db2.gz POVIHYNDLUOMCX-QEJZJMRPSA-N 1 0 258.365 2.143 20 70 CEIDRO CCCN(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161388214 188525007 /nfs/dbraw/zinc/52/50/07/188525007.db2.gz RUTNXTWDNRQCCV-MRXNPFEDSA-N 1 0 289.423 2.357 20 70 CEIDRO CCCn1nccc1CNCCC[NH+]1CCCCC1 ZINC000159980779 540109040 /nfs/dbraw/zinc/10/90/40/540109040.db2.gz CSSWVNHRWUSZOC-UHFFFAOYSA-N 1 0 264.417 2.259 20 70 CEIDRO CC1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160046560 540110972 /nfs/dbraw/zinc/11/09/72/540110972.db2.gz GOEZPJOBCOTOQD-BLLIMNRGSA-N 1 0 294.439 2.214 20 70 CEIDRO CCCn1nccc1C[NH2+]CC1(O)CCCCCC1 ZINC000160162626 540112945 /nfs/dbraw/zinc/11/29/45/540112945.db2.gz LGZZFJIVRPGBAW-UHFFFAOYSA-N 1 0 265.401 2.468 20 70 CEIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160615093 540119861 /nfs/dbraw/zinc/11/98/61/540119861.db2.gz IQKOSICMNVGVOB-XHSDSOJGSA-N 1 0 291.439 2.445 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)c1c(C)noc1C ZINC000160496670 540117605 /nfs/dbraw/zinc/11/76/05/540117605.db2.gz LMDBZONNQOKWQD-VIFPVBQESA-N 1 0 267.373 2.029 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC000161031981 540130880 /nfs/dbraw/zinc/13/08/80/540130880.db2.gz PISUNUITLSNWII-RYUDHWBXSA-N 1 0 276.355 2.243 20 70 CEIDRO C[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161071678 540132526 /nfs/dbraw/zinc/13/25/26/540132526.db2.gz KFEUFGVJYKGKBO-UGFHNGPFSA-N 1 0 278.371 2.390 20 70 CEIDRO O=C1CCCN1CCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000159532416 540414363 /nfs/dbraw/zinc/41/43/63/540414363.db2.gz MQXYFPVCTNOGAT-HNNXBMFYSA-N 1 0 276.355 2.415 20 70 CEIDRO CCC[N@H+](CC)CCNCc1cnc2ccccc2n1 ZINC000217728251 540449857 /nfs/dbraw/zinc/44/98/57/540449857.db2.gz RXJSFNNYJIIQEO-UHFFFAOYSA-N 1 0 272.396 2.451 20 70 CEIDRO C[C@H](CC(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000160823276 540665092 /nfs/dbraw/zinc/66/50/92/540665092.db2.gz MVOPRFHVFDZXRU-HIFRSBDPSA-N 1 0 275.396 2.128 20 70 CEIDRO CC[C@@H](C(=O)NC[C@@H](OC)c1ccccc1Cl)[NH+](C)C ZINC000161396136 540812541 /nfs/dbraw/zinc/81/25/41/540812541.db2.gz NNCCFKBBFDYKPC-UONOGXRCSA-N 1 0 298.814 2.484 20 70 CEIDRO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000159427029 366911133 /nfs/dbraw/zinc/91/11/33/366911133.db2.gz BQCWKIPBKBFGTC-SNAWJCMRSA-N 1 0 284.281 2.150 20 70 CEIDRO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1NC(=O)C(C)(C)C ZINC000159527832 366922379 /nfs/dbraw/zinc/92/23/79/366922379.db2.gz IYNMJEVFHIZHOL-SNVBAGLBSA-N 1 0 277.368 2.265 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(F)c(C)c2)CC1 ZINC000159571000 366927141 /nfs/dbraw/zinc/92/71/41/366927141.db2.gz CGRKKGACARKDCP-UHFFFAOYSA-N 1 0 293.386 2.371 20 70 CEIDRO Cc1ccc([C@@H](C)CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000159655862 366935326 /nfs/dbraw/zinc/93/53/26/366935326.db2.gz BLPQXCPWQNZDNE-DZGCQCFKSA-N 1 0 260.381 2.357 20 70 CEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1ccnc1 ZINC000159845624 366952688 /nfs/dbraw/zinc/95/26/88/366952688.db2.gz HUHVHYDJDGROFP-QGZVFWFLSA-N 1 0 298.434 2.480 20 70 CEIDRO CN(C(=O)[C@@H]1CCCc2sccc21)[C@@H](C[NH3+])C1CC1 ZINC000159842009 366952752 /nfs/dbraw/zinc/95/27/52/366952752.db2.gz BVTYEQDRZNJGCI-OLZOCXBDSA-N 1 0 278.421 2.364 20 70 CEIDRO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159883061 366956156 /nfs/dbraw/zinc/95/61/56/366956156.db2.gz AQVIIOVRCOMJFQ-UXIGCNINSA-N 1 0 258.365 2.036 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000159882542 366956165 /nfs/dbraw/zinc/95/61/65/366956165.db2.gz MBPRYJYGFYVXIL-BLLLJJGKSA-N 1 0 260.381 2.424 20 70 CEIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159920480 366959428 /nfs/dbraw/zinc/95/94/28/366959428.db2.gz JKQMWYCLLZOHNA-QWHCGFSZSA-N 1 0 267.417 2.349 20 70 CEIDRO COCCC1(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159927288 366960054 /nfs/dbraw/zinc/96/00/54/366960054.db2.gz JIXLALVYIIKVMV-QLFBSQMISA-N 1 0 296.455 2.286 20 70 CEIDRO [NH3+]CCCNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000159978022 366962338 /nfs/dbraw/zinc/96/23/38/366962338.db2.gz ZSTUQUOKRHKAOK-UHFFFAOYSA-N 1 0 264.344 2.103 20 70 CEIDRO CCC1(CC)[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC000160102860 366973109 /nfs/dbraw/zinc/97/31/09/366973109.db2.gz ISMACLKWPBSAHA-MGPQQGTHSA-N 1 0 282.428 2.179 20 70 CEIDRO CCc1cccc(CC(=O)NC[C@H]2CC[N@@H+](CC)C2)c1 ZINC000160130844 366976010 /nfs/dbraw/zinc/97/60/10/366976010.db2.gz PRTCHCGISOFDPV-MRXNPFEDSA-N 1 0 274.408 2.250 20 70 CEIDRO CCCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC000160185788 366981059 /nfs/dbraw/zinc/98/10/59/366981059.db2.gz XIKJBTKFVRMVIB-GDBMZVCRSA-N 1 0 290.407 2.365 20 70 CEIDRO CS[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000160251698 366988083 /nfs/dbraw/zinc/98/80/83/366988083.db2.gz JGUDGIWUCWVROA-OLZOCXBDSA-N 1 0 287.473 2.015 20 70 CEIDRO COc1ccc2cc(C[N@@H+]3CCC[C@@H]3C(N)=O)ccc2c1 ZINC000160315691 366993695 /nfs/dbraw/zinc/99/36/95/366993695.db2.gz HGFCURZQZJIKSB-MRXNPFEDSA-N 1 0 284.359 2.298 20 70 CEIDRO CC[C@H](COC)[NH2+]Cc1cncc(Br)c1 ZINC000160579763 367019153 /nfs/dbraw/zinc/01/91/53/367019153.db2.gz HNNMCGKVPHCSIU-LLVKDONJSA-N 1 0 273.174 2.359 20 70 CEIDRO CC[NH+](CC)CCNC(=O)NCc1nc(C(C)C)cs1 ZINC000160637950 367024319 /nfs/dbraw/zinc/02/43/19/367024319.db2.gz RACKHQGCRDPZSI-UHFFFAOYSA-N 1 0 298.456 2.408 20 70 CEIDRO CC[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000160465201 367008126 /nfs/dbraw/zinc/00/81/26/367008126.db2.gz BBBQQEOQWXIIEJ-MELADBBJSA-N 1 0 252.402 2.412 20 70 CEIDRO CC[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000160465333 367008288 /nfs/dbraw/zinc/00/82/88/367008288.db2.gz BBBQQEOQWXIIEJ-MCIONIFRSA-N 1 0 252.402 2.412 20 70 CEIDRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)N1CCCCCC1 ZINC000160556847 367016549 /nfs/dbraw/zinc/01/65/49/367016549.db2.gz BITBXXWBRJNJRX-CQSZACIVSA-N 1 0 265.401 2.153 20 70 CEIDRO CNc1ccccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000160954133 367045010 /nfs/dbraw/zinc/04/50/10/367045010.db2.gz XAJAPYQXLYLXOG-UHFFFAOYSA-N 1 0 275.396 2.333 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972729 367047504 /nfs/dbraw/zinc/04/75/04/367047504.db2.gz IEEHCFJZLWXWGA-LSDHHAIUSA-N 1 0 292.423 2.117 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000161064630 367053542 /nfs/dbraw/zinc/05/35/42/367053542.db2.gz QORJFTDQDPSZJB-AAEUAGOBSA-N 1 0 274.389 2.495 20 70 CEIDRO Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2O)c1C ZINC000161086658 367054875 /nfs/dbraw/zinc/05/48/75/367054875.db2.gz VFBFKCNDVWMTRA-HOTGVXAUSA-N 1 0 290.407 2.477 20 70 CEIDRO C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Sc1ccccc1 ZINC000161117199 367059375 /nfs/dbraw/zinc/05/93/75/367059375.db2.gz PWMMXIGWEHMPNO-WFASDCNBSA-N 1 0 278.421 2.283 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000161229414 367070144 /nfs/dbraw/zinc/07/01/44/367070144.db2.gz IMCFINSIPHLYLV-MNOVXSKESA-N 1 0 260.447 2.398 20 70 CEIDRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cnn1CC(C)C ZINC000161236424 367070420 /nfs/dbraw/zinc/07/04/20/367070420.db2.gz VKYQDUKGIKHIKK-CQSZACIVSA-N 1 0 292.427 2.014 20 70 CEIDRO CCOCCC1(CNC(=O)C(CC)(CC)C[NH3+])CCC1 ZINC000161258078 367073205 /nfs/dbraw/zinc/07/32/05/367073205.db2.gz DOBZKZVYASLADI-UHFFFAOYSA-N 1 0 284.444 2.465 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000161283603 367074475 /nfs/dbraw/zinc/07/44/75/367074475.db2.gz JAHJUFALVWSTNQ-WFASDCNBSA-N 1 0 278.371 2.215 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1cc(F)ccc1F ZINC000161314899 367076793 /nfs/dbraw/zinc/07/67/93/367076793.db2.gz VKRYMRKIUDPFMS-CYBMUJFWSA-N 1 0 282.334 2.108 20 70 CEIDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000161305650 367077311 /nfs/dbraw/zinc/07/73/11/367077311.db2.gz WKUGGOZVWKSHPL-RAIGVLPGSA-N 1 0 294.345 2.136 20 70 CEIDRO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1OCC1CCOCC1 ZINC000161373894 367081472 /nfs/dbraw/zinc/08/14/72/367081472.db2.gz YXPICEAPBPDVLK-GFCCVEGCSA-N 1 0 292.379 2.086 20 70 CEIDRO CC[C@@H](C)OCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000160676432 367027376 /nfs/dbraw/zinc/02/73/76/367027376.db2.gz XDUFCAVDNANVEA-CQSZACIVSA-N 1 0 278.396 2.050 20 70 CEIDRO CC[C@@H](C(=O)NCc1ccccc1OC(F)F)[NH+](C)C ZINC000161404031 367084034 /nfs/dbraw/zinc/08/40/34/367084034.db2.gz JLNWCLARFNPNQA-NSHDSACASA-N 1 0 286.322 2.244 20 70 CEIDRO CC[C@@H](C(=O)NCc1nc(C(C)C)cs1)[NH+](C)C ZINC000161444209 367086464 /nfs/dbraw/zinc/08/64/64/367086464.db2.gz DASWWBXLCVVFJX-NSHDSACASA-N 1 0 269.414 2.223 20 70 CEIDRO COC(=O)c1ccc([C@@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000217369173 370195172 /nfs/dbraw/zinc/19/51/72/370195172.db2.gz RURNEPPSKXOBGW-CHWSQXEVSA-N 1 0 292.379 2.297 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)CCCCc2ccc(OC)cc2)C1 ZINC000160620263 533030777 /nfs/dbraw/zinc/03/07/77/533030777.db2.gz QGXOMBYYSYPXLL-HNNXBMFYSA-N 1 0 290.407 2.228 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000159517812 285211919 /nfs/dbraw/zinc/21/19/19/285211919.db2.gz LOJRUWMYACXDNC-UONOGXRCSA-N 1 0 267.417 2.302 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000160982950 395062686 /nfs/dbraw/zinc/06/26/86/395062686.db2.gz UWRQIZWQMHTTPK-LLVKDONJSA-N 1 0 281.375 2.067 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000161182239 395063474 /nfs/dbraw/zinc/06/34/74/395063474.db2.gz WDFLAGBGGBCVFL-GMXVVIOVSA-N 1 0 264.394 2.039 20 70 CEIDRO CN(c1nc(C(C)(C)C)ns1)[C@@H]1CCC[N@H+](C)C1 ZINC000159652223 162309847 /nfs/dbraw/zinc/30/98/47/162309847.db2.gz JIINGOKFKSMDMH-SNVBAGLBSA-N 1 0 268.430 2.366 20 70 CEIDRO [NH3+]C1(C(=O)NC[C@@H]2CCc3ccccc32)CCCCC1 ZINC000159733830 162313269 /nfs/dbraw/zinc/31/32/69/162313269.db2.gz CDDAVSSJPKIIHP-AWEZNQCLSA-N 1 0 272.392 2.494 20 70 CEIDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1F ZINC000159769965 162313512 /nfs/dbraw/zinc/31/35/12/162313512.db2.gz KOVPYQKLHJSGGM-UHFFFAOYSA-N 1 0 264.344 2.222 20 70 CEIDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1-n1cccn1 ZINC000159787256 162313776 /nfs/dbraw/zinc/31/37/76/162313776.db2.gz PPNYIJAZMGTNEJ-CJNGLKHVSA-N 1 0 298.390 2.144 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C1CC1 ZINC000159825811 162316075 /nfs/dbraw/zinc/31/60/75/162316075.db2.gz KCUDQDUQFIZOEV-JKSUJKDBSA-N 1 0 272.392 2.266 20 70 CEIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1nccs1 ZINC000159888983 162319414 /nfs/dbraw/zinc/31/94/14/162319414.db2.gz KJGJJGBKBLDZMC-LBPRGKRZSA-N 1 0 296.440 2.331 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)NCCc2ccccc2)CC1 ZINC000160012907 162320072 /nfs/dbraw/zinc/32/00/72/162320072.db2.gz MHCCJTQJNJLDCY-UHFFFAOYSA-N 1 0 289.423 2.356 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000160375097 162328244 /nfs/dbraw/zinc/32/82/44/162328244.db2.gz WBSOTNRGHVSATN-OAHLLOKOSA-N 1 0 284.444 2.382 20 70 CEIDRO CC(C)CN(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160177777 270238390 /nfs/dbraw/zinc/23/83/90/270238390.db2.gz YFEUBJMBHSGHOW-MRXNPFEDSA-N 1 0 289.423 2.342 20 70 CEIDRO CC(C)(C)[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000159823016 275840540 /nfs/dbraw/zinc/84/05/40/275840540.db2.gz SJHJCUZABKZNCC-HUUCEWRRSA-N 1 0 274.408 2.497 20 70 CEIDRO CC(C)C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000160877213 275917457 /nfs/dbraw/zinc/91/74/57/275917457.db2.gz GHSMIOZIJDBDNQ-TZMCWYRMSA-N 1 0 256.365 2.115 20 70 CEIDRO CN(C(=O)[C@@H]1CCCc2sccc21)[C@H](C[NH3+])C1CC1 ZINC000159842127 276741025 /nfs/dbraw/zinc/74/10/25/276741025.db2.gz BVTYEQDRZNJGCI-CHWSQXEVSA-N 1 0 278.421 2.364 20 70 CEIDRO CC(C)C[C@H](C)OCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159404826 277476999 /nfs/dbraw/zinc/47/69/99/277476999.db2.gz MIQJKTBRFUDMHD-SOUVJXGZSA-N 1 0 282.428 2.181 20 70 CEIDRO CC[C@](C)(O)CN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000161019394 281291102 /nfs/dbraw/zinc/29/11/02/281291102.db2.gz YJZJJZTZDBIOAH-HOTGVXAUSA-N 1 0 268.445 2.488 20 70 CEIDRO CN(C(=O)C1C2CC3CC(C2)CC1C3)[C@@H](C[NH3+])C1CC1 ZINC000159877557 288791014 /nfs/dbraw/zinc/79/10/14/288791014.db2.gz FPXIRKYEQLXALL-SCEVWBLRSA-N 1 0 276.424 2.254 20 70 CEIDRO c1csc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159470538 297428866 /nfs/dbraw/zinc/42/88/66/297428866.db2.gz PVZGRUYBYMPKRO-WCQGTBRESA-N 1 0 250.367 2.190 20 70 CEIDRO CC(C)(C)[C@H](COc1ccccc1F)NC(=O)CCC[NH3+] ZINC000159774660 297430557 /nfs/dbraw/zinc/43/05/57/297430557.db2.gz NUMKVFUJGLSOGJ-AWEZNQCLSA-N 1 0 296.386 2.474 20 70 CEIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cnccn2)n1 ZINC000160790164 519902275 /nfs/dbraw/zinc/90/22/75/519902275.db2.gz YQQUXBQGALSACD-NSHDSACASA-N 1 0 275.356 2.266 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000160465700 522500612 /nfs/dbraw/zinc/50/06/12/522500612.db2.gz MXXGTVUPIMAMPO-NSHDSACASA-N 1 0 287.190 2.356 20 70 CEIDRO C[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000161131855 524344869 /nfs/dbraw/zinc/34/48/69/524344869.db2.gz KAOUUFVSRIKANA-HIFRSBDPSA-N 1 0 264.413 2.367 20 70 CEIDRO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(=O)N1CCCC1 ZINC000161316957 525513007 /nfs/dbraw/zinc/51/30/07/525513007.db2.gz QXWUDGZGTFVYGY-SNVBAGLBSA-N 1 0 268.307 2.065 20 70 CEIDRO COc1cccc(CCC[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000160527171 525886082 /nfs/dbraw/zinc/88/60/82/525886082.db2.gz JERPNCBHMLJENW-UKRRQHHQSA-N 1 0 290.407 2.214 20 70 CEIDRO CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160477033 528297963 /nfs/dbraw/zinc/29/79/63/528297963.db2.gz UARLQSHYORUSIB-BETUJISGSA-N 1 0 261.431 2.178 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000160557933 528925004 /nfs/dbraw/zinc/92/50/04/528925004.db2.gz CWNLOJLDDKEDFY-CHWSQXEVSA-N 1 0 270.417 2.215 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000160407580 282127250 /nfs/dbraw/zinc/12/72/50/282127250.db2.gz MANYZSGZQXEYJT-KHIZAZIESA-N 1 0 282.391 2.424 20 70 CEIDRO CCn1nccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000160030095 539278454 /nfs/dbraw/zinc/27/84/54/539278454.db2.gz IXVUBOFUEKCUKY-UHFFFAOYSA-N 1 0 299.422 2.052 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1cccc(CC)c1 ZINC000159399243 344454389 /nfs/dbraw/zinc/45/43/89/344454389.db2.gz IOEISFHQFLPWCJ-HNNXBMFYSA-N 1 0 295.423 2.393 20 70 CEIDRO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159513358 344454901 /nfs/dbraw/zinc/45/49/01/344454901.db2.gz LVLIQGJOPMIOKC-UONOGXRCSA-N 1 0 292.398 2.462 20 70 CEIDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccs1 ZINC000159495868 344455035 /nfs/dbraw/zinc/45/50/35/344455035.db2.gz SLMSVFPIGYACHE-YPMHNXCESA-N 1 0 278.421 2.452 20 70 CEIDRO Cc1cccc([C@H]2CCCN2Cc2nncn2C)c1 ZINC000160829717 344461875 /nfs/dbraw/zinc/46/18/75/344461875.db2.gz QSMPBKPSHIBCNN-CQSZACIVSA-N 1 0 256.353 2.461 20 70 CEIDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@@H]21 ZINC000216984297 344535095 /nfs/dbraw/zinc/53/50/95/344535095.db2.gz ICNDDNVSMJSCPH-CABCVRRESA-N 1 0 297.358 2.118 20 70 CEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncccn1 ZINC000160231207 188461133 /nfs/dbraw/zinc/46/11/33/188461133.db2.gz XZCYDCMZPJYJFV-HIFRSBDPSA-N 1 0 268.364 2.409 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N(Cc1ccccc1)CC(F)F ZINC000161484177 188530383 /nfs/dbraw/zinc/53/03/83/188530383.db2.gz MEHZJIGBSLXWAA-UHFFFAOYSA-N 1 0 282.334 2.280 20 70 CEIDRO CCCn1nccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000159977685 540108983 /nfs/dbraw/zinc/10/89/83/540108983.db2.gz KKXATRNZHVRIAH-UHFFFAOYSA-N 1 0 273.336 2.312 20 70 CEIDRO CCCn1nccc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000160057729 540110826 /nfs/dbraw/zinc/11/08/26/540110826.db2.gz OQCYTWBXFVOCGN-AWEZNQCLSA-N 1 0 273.384 2.194 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000160758795 540122251 /nfs/dbraw/zinc/12/22/51/540122251.db2.gz PJZWUXOTZAGIJY-VXGBXAGGSA-N 1 0 273.380 2.044 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000160918436 540127667 /nfs/dbraw/zinc/12/76/67/540127667.db2.gz FKTCRYUIXODKHM-VHSXEESVSA-N 1 0 296.754 2.068 20 70 CEIDRO Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161047049 540131904 /nfs/dbraw/zinc/13/19/04/540131904.db2.gz XEJSFNLEZBRZBN-KBPBESRZSA-N 1 0 298.390 2.180 20 70 CEIDRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000161463981 540138488 /nfs/dbraw/zinc/13/84/88/540138488.db2.gz YFXXIQACTJHYLF-DCAQKATOSA-N 1 0 252.383 2.238 20 70 CEIDRO CC[C@H](C(=O)NC1CCC(OC(C)C)CC1)[NH+](C)C ZINC000159572469 540416220 /nfs/dbraw/zinc/41/62/20/540416220.db2.gz KUSPHTFFEVYRHE-JXQTWKCFSA-N 1 0 270.417 2.179 20 70 CEIDRO Cc1nccc(NC(=O)N(C)CCC[NH+](C)C)c1Cl ZINC000159778658 540430986 /nfs/dbraw/zinc/43/09/86/540430986.db2.gz PQBPCXWAADTMTD-UHFFFAOYSA-N 1 0 284.791 2.459 20 70 CEIDRO CC[N@H+](CCCCS(C)(=O)=O)CCc1ccccc1 ZINC000161473283 540836598 /nfs/dbraw/zinc/83/65/98/540836598.db2.gz FAFHVAJITSIPJU-UHFFFAOYSA-N 1 0 283.437 2.376 20 70 CEIDRO O=C(NCC1(Sc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000159704090 366940222 /nfs/dbraw/zinc/94/02/22/366940222.db2.gz DWGNMXOFZLUPKT-ZDUSSCGKSA-N 1 0 290.432 2.427 20 70 CEIDRO CC(C)OC(=O)CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000159376760 366907236 /nfs/dbraw/zinc/90/72/36/366907236.db2.gz HZDUUQQEEABYNR-IHRRRGAJSA-N 1 0 298.427 2.096 20 70 CEIDRO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)cc1 ZINC000159429397 366911218 /nfs/dbraw/zinc/91/12/18/366911218.db2.gz MOGXZAKIJPQEFN-MNOVXSKESA-N 1 0 282.409 2.048 20 70 CEIDRO COCCN(C)CC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000159434972 366913165 /nfs/dbraw/zinc/91/31/65/366913165.db2.gz INYULKFTABGRJF-GOSISDBHSA-N 1 0 290.451 2.484 20 70 CEIDRO CCN(CC[NH2+][C@H]1CCSC1)C(=O)OC(C)(C)C ZINC000159450951 366915064 /nfs/dbraw/zinc/91/50/64/366915064.db2.gz WOKJGTALIZIFCC-NSHDSACASA-N 1 0 274.430 2.339 20 70 CEIDRO COC(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000159466659 366915889 /nfs/dbraw/zinc/91/58/89/366915889.db2.gz YWDWRAIMZSMSPU-VIFPVBQESA-N 1 0 296.754 2.207 20 70 CEIDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@H](C)[NH3+] ZINC000159526334 366922199 /nfs/dbraw/zinc/92/21/99/366922199.db2.gz WLVCIRSMXKYTRB-JTQLQIEISA-N 1 0 277.368 2.265 20 70 CEIDRO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159526555 366922928 /nfs/dbraw/zinc/92/29/28/366922928.db2.gz QJWSKSIBXUAPRB-OLZOCXBDSA-N 1 0 278.396 2.450 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2C)CC1 ZINC000159543034 366924217 /nfs/dbraw/zinc/92/42/17/366924217.db2.gz XTPUEOJUDMPIMY-UHFFFAOYSA-N 1 0 275.396 2.232 20 70 CEIDRO CC(C)[N@@H+](CCN(C)Cc1ccc(F)cc1)C[C@@H](C)O ZINC000159548529 366926109 /nfs/dbraw/zinc/92/61/09/366926109.db2.gz SOKAEIFSFLHUAI-CQSZACIVSA-N 1 0 282.403 2.349 20 70 CEIDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)o1 ZINC000159575958 366928112 /nfs/dbraw/zinc/92/81/12/366928112.db2.gz HLTZWQCLWDIHDJ-LBPRGKRZSA-N 1 0 250.342 2.251 20 70 CEIDRO C[NH2+]CC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000159591960 366929347 /nfs/dbraw/zinc/92/93/47/366929347.db2.gz YTNLVHMAOLMJJY-UHFFFAOYSA-N 1 0 278.299 2.341 20 70 CEIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159592131 366930157 /nfs/dbraw/zinc/93/01/57/366930157.db2.gz XOSIMPIGZODFMZ-GXTWGEPZSA-N 1 0 286.379 2.177 20 70 CEIDRO Cc1csc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159632235 366933949 /nfs/dbraw/zinc/93/39/49/366933949.db2.gz LYRCAWQHHXSTSC-RTXFEEFZSA-N 1 0 264.394 2.499 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159627790 366934490 /nfs/dbraw/zinc/93/44/90/366934490.db2.gz BZQGJLSWHGFUAV-NWDGAFQWSA-N 1 0 258.431 2.119 20 70 CEIDRO c1cc2c(c(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)c1)OCO2 ZINC000159643127 366935232 /nfs/dbraw/zinc/93/52/32/366935232.db2.gz TZSZNEZAURQFCV-RCBQFDQVSA-N 1 0 287.359 2.463 20 70 CEIDRO C[C@H](CNC(=O)NCC1(C2CC2)CC1)C[NH+]1CCCC1 ZINC000159664700 366937247 /nfs/dbraw/zinc/93/72/47/366937247.db2.gz CGIFVSOKBFJGCX-CYBMUJFWSA-N 1 0 279.428 2.208 20 70 CEIDRO Cc1c([C@@H](C)[NH2+]CCO)cnn1-c1cc(C)ccc1C ZINC000159676941 366938635 /nfs/dbraw/zinc/93/86/35/366938635.db2.gz XTMXVCHDNGDXQG-CYBMUJFWSA-N 1 0 273.380 2.440 20 70 CEIDRO CCCn1c(C)nnc1CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000159833496 366953333 /nfs/dbraw/zinc/95/33/33/366953333.db2.gz OZXTZLYEIIBLHS-OAHLLOKOSA-N 1 0 293.459 2.160 20 70 CEIDRO O=C(NCC[NH+]1CCCCCC1)c1ccnc(Cl)c1F ZINC000159867684 366954811 /nfs/dbraw/zinc/95/48/11/366954811.db2.gz RLFQENJESICOGR-UHFFFAOYSA-N 1 0 299.777 2.480 20 70 CEIDRO C[C@H](NC(=O)N(C)CC1CCOCC1)C(C)(C)C[NH+](C)C ZINC000159867694 366955189 /nfs/dbraw/zinc/95/51/89/366955189.db2.gz UHSYUOLGQUVZAO-ZDUSSCGKSA-N 1 0 299.459 2.031 20 70 CEIDRO Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160055346 366969738 /nfs/dbraw/zinc/96/97/38/366969738.db2.gz JJWUYKLYSBYRKR-AWEZNQCLSA-N 1 0 295.814 2.256 20 70 CEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(Cl)c1F ZINC000159897282 366958404 /nfs/dbraw/zinc/95/84/04/366958404.db2.gz IGYPGOPMQUGYSI-SNVBAGLBSA-N 1 0 299.777 2.478 20 70 CEIDRO C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000160006791 366965256 /nfs/dbraw/zinc/96/52/56/366965256.db2.gz NVCJUHARSFEKLK-WCQYABFASA-N 1 0 277.412 2.101 20 70 CEIDRO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000160038906 366967391 /nfs/dbraw/zinc/96/73/91/366967391.db2.gz CHVFZBRSBZNACH-GRDNDAEWSA-N 1 0 288.391 2.466 20 70 CEIDRO Cc1cccc2nc(C[NH2+][C@@H](C)[C@H]3CCOC3)cn21 ZINC000160298487 366991879 /nfs/dbraw/zinc/99/18/79/366991879.db2.gz XPLVDYJXGDVDNW-STQMWFEESA-N 1 0 259.353 2.157 20 70 CEIDRO CC(C)[NH+]1CCN(C(=O)N2CCCCCC2)CC1 ZINC000160365392 366999607 /nfs/dbraw/zinc/99/96/07/366999607.db2.gz OSEWGHXYFRGLKJ-UHFFFAOYSA-N 1 0 253.390 2.008 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)c1cccc(OC)c1 ZINC000160437027 367005065 /nfs/dbraw/zinc/00/50/65/367005065.db2.gz CRUKNXCETRRDCT-GFCCVEGCSA-N 1 0 278.396 2.432 20 70 CEIDRO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000160452854 367006806 /nfs/dbraw/zinc/00/68/06/367006806.db2.gz CXUANWLVYSPNOG-QWRGUYRKSA-N 1 0 254.399 2.387 20 70 CEIDRO CC(=O)Nc1ccccc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000160479756 367009753 /nfs/dbraw/zinc/00/97/53/367009753.db2.gz ZSYQKFVOLOIAIS-UHFFFAOYSA-N 1 0 292.379 2.466 20 70 CEIDRO COc1ccc([C@@H](C)CCNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160555817 367016845 /nfs/dbraw/zinc/01/68/45/367016845.db2.gz SRPNUTSLKOIGJU-ZFWWWQNUSA-N 1 0 290.407 2.447 20 70 CEIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160554018 367017161 /nfs/dbraw/zinc/01/71/61/367017161.db2.gz ZOKOGDDEBUTXTM-IKGGRYGDSA-N 1 0 277.408 2.385 20 70 CEIDRO CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)CCC[NH3+] ZINC000160832763 367036650 /nfs/dbraw/zinc/03/66/50/367036650.db2.gz BBRYXHWGKLDVHE-OAHLLOKOSA-N 1 0 296.386 2.083 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCOc2ccccc2C)CC1 ZINC000161335879 367079568 /nfs/dbraw/zinc/07/95/68/367079568.db2.gz QXGHXIVOYQWMHR-UHFFFAOYSA-N 1 0 290.407 2.411 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000161044877 367050895 /nfs/dbraw/zinc/05/08/95/367050895.db2.gz HAMVMVCGKUZEIX-SWHYSGLUSA-N 1 0 264.344 2.473 20 70 CEIDRO COCCC1(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000161080144 367055083 /nfs/dbraw/zinc/05/50/83/367055083.db2.gz CCXXUPQGOCOILD-AWEZNQCLSA-N 1 0 282.428 2.040 20 70 CEIDRO CC[C@H](C(=O)N[C@@H](C)COc1cccc(C)c1)[NH+](C)C ZINC000161109183 367058041 /nfs/dbraw/zinc/05/80/41/367058041.db2.gz WZVIXNMYFSUPDW-DZGCQCFKSA-N 1 0 278.396 2.219 20 70 CEIDRO C[C@@H]([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161134976 367060752 /nfs/dbraw/zinc/06/07/52/367060752.db2.gz UPRYSEDZCCRDLU-LLVKDONJSA-N 1 0 262.353 2.432 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)NCc1ccccc1 ZINC000161187719 367065257 /nfs/dbraw/zinc/06/52/57/367065257.db2.gz CRMFCCIKONSRJV-QWHCGFSZSA-N 1 0 260.381 2.470 20 70 CEIDRO CCCc1nc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])cs1 ZINC000161188945 367067522 /nfs/dbraw/zinc/06/75/22/367067522.db2.gz OVRXRMILDCETHX-CHWSQXEVSA-N 1 0 283.441 2.034 20 70 CEIDRO CCC[N@H+](CCO)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000161216014 367069254 /nfs/dbraw/zinc/06/92/54/367069254.db2.gz VZWYDHSRYNHWSC-NSHDSACASA-N 1 0 268.426 2.472 20 70 CEIDRO CCC[N@H+](CCO)Cc1ccc(Oc2cnccn2)cc1 ZINC000161230781 367069907 /nfs/dbraw/zinc/06/99/07/367069907.db2.gz RCJCYDQNEHJXFT-UHFFFAOYSA-N 1 0 287.363 2.473 20 70 CEIDRO CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160706230 367028110 /nfs/dbraw/zinc/02/81/10/367028110.db2.gz JTCFOKLNTIQXLB-UONOGXRCSA-N 1 0 290.407 2.399 20 70 CEIDRO Cc1nn(C)cc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000161327788 367078742 /nfs/dbraw/zinc/07/87/42/367078742.db2.gz JRDZSFYPAIUUCR-UHFFFAOYSA-N 1 0 254.337 2.500 20 70 CEIDRO CC(C)S(=O)(=O)CCC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000160790946 367033922 /nfs/dbraw/zinc/03/39/22/367033922.db2.gz AXLCUXCJNAACMW-GFCCVEGCSA-N 1 0 273.442 2.463 20 70 CEIDRO CC1(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCC1 ZINC000161401039 367084053 /nfs/dbraw/zinc/08/40/53/367084053.db2.gz WOAFAEAMDUNVAA-GFCCVEGCSA-N 1 0 265.401 2.245 20 70 CEIDRO CCc1ccc(/C=C/C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)o1 ZINC000161399462 367084122 /nfs/dbraw/zinc/08/41/22/367084122.db2.gz FVPRPASDQPWTBZ-TYDXBBDOSA-N 1 0 276.380 2.406 20 70 CEIDRO c1ccc2c(c1)C[C@@H]([NH2+]C1CCC3(CC1)OCCO3)CO2 ZINC000161449014 367087542 /nfs/dbraw/zinc/08/75/42/367087542.db2.gz OFLDPUSALNBVFU-OAHLLOKOSA-N 1 0 289.375 2.265 20 70 CEIDRO COC(=O)c1ccc(C[NH2+]CCc2ccccc2OC)o1 ZINC000218484693 370209703 /nfs/dbraw/zinc/20/97/03/370209703.db2.gz AJMCUQQYTAXBJU-UHFFFAOYSA-N 1 0 289.331 2.407 20 70 CEIDRO CCc1ncnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1F ZINC000217975404 370202252 /nfs/dbraw/zinc/20/22/52/370202252.db2.gz SLGZFILGKZCCTI-RYUDHWBXSA-N 1 0 264.348 2.217 20 70 CEIDRO C[C@H](CNc1ccc(C(F)(F)F)nn1)[N@H+](C)C1CC1 ZINC000218004293 370203674 /nfs/dbraw/zinc/20/36/74/370203674.db2.gz DLSWVDOYHKRJAC-MRVPVSSYSA-N 1 0 274.290 2.390 20 70 CEIDRO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCOC(C)(C)C2)CC1 ZINC000161268836 249319753 /nfs/dbraw/zinc/31/97/53/249319753.db2.gz WIVSJHQOHVPTDH-CQSZACIVSA-N 1 0 297.443 2.118 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000217844965 130763852 /nfs/dbraw/zinc/76/38/52/130763852.db2.gz BOVJSPHFMDAARI-HNNXBMFYSA-N 1 0 291.420 2.076 20 70 CEIDRO CC(=O)Nc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217651719 394454314 /nfs/dbraw/zinc/45/43/14/394454314.db2.gz CREPVJBHWVZSKS-IRXDYDNUSA-N 1 0 287.407 2.361 20 70 CEIDRO COCCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159398572 395058238 /nfs/dbraw/zinc/05/82/38/395058238.db2.gz WKXBJBHIYMBPQB-MRXNPFEDSA-N 1 0 261.365 2.197 20 70 CEIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000160053383 395060326 /nfs/dbraw/zinc/06/03/26/395060326.db2.gz BFWMWDJQCFKUFT-KBPBESRZSA-N 1 0 252.402 2.365 20 70 CEIDRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160611679 297439042 /nfs/dbraw/zinc/43/90/42/297439042.db2.gz IMJQZOPIIDKSPX-DJJJIMSYSA-N 1 0 281.421 2.471 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000217852939 153297235 /nfs/dbraw/zinc/29/72/35/153297235.db2.gz FHQZABCQNKDQPX-OAHLLOKOSA-N 1 0 292.404 2.144 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159773075 162312246 /nfs/dbraw/zinc/31/22/46/162312246.db2.gz YIAHBILBEHKJCI-MFKMUULPSA-N 1 0 282.359 2.083 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707436 162312950 /nfs/dbraw/zinc/31/29/50/162312950.db2.gz AABYPEOIWOQRQW-JSGCOSHPSA-N 1 0 298.390 2.163 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1OC1CCC1 ZINC000159711553 162313600 /nfs/dbraw/zinc/31/36/00/162313600.db2.gz IRMWGSVLCDZMRI-AWEZNQCLSA-N 1 0 288.391 2.376 20 70 CEIDRO Cc1ccc(C)c(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159798144 162316910 /nfs/dbraw/zinc/31/69/10/162316910.db2.gz AITFLFKFIJXFBP-HNNXBMFYSA-N 1 0 260.381 2.042 20 70 CEIDRO CN(C(=O)c1cccc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000159807362 162316961 /nfs/dbraw/zinc/31/69/61/162316961.db2.gz YAXNKKODKOIIIS-AWEZNQCLSA-N 1 0 269.348 2.044 20 70 CEIDRO CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C)C ZINC000159980518 162319803 /nfs/dbraw/zinc/31/98/03/162319803.db2.gz RWQGYMSLKOOQIF-UHFFFAOYSA-N 1 0 280.416 2.386 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)Nc2ccnn2C(C)C)CC1 ZINC000160011225 162319867 /nfs/dbraw/zinc/31/98/67/162319867.db2.gz OCKQNDILAKILTJ-UHFFFAOYSA-N 1 0 293.415 2.414 20 70 CEIDRO Cc1ccc(F)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160057311 162324379 /nfs/dbraw/zinc/32/43/79/162324379.db2.gz BLFMDBXFEXQJRF-BETUJISGSA-N 1 0 262.328 2.101 20 70 CEIDRO C[C@@H]1CCO[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000160214019 162326013 /nfs/dbraw/zinc/32/60/13/162326013.db2.gz CJIRUUADFPFTLQ-IIAWOOMASA-N 1 0 294.439 2.325 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000160558635 278534024 /nfs/dbraw/zinc/53/40/24/278534024.db2.gz SORVWTGIDMATEC-OAHLLOKOSA-N 1 0 279.428 2.399 20 70 CEIDRO C[C@]1(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC[NH2+]C1 ZINC000160341988 278557506 /nfs/dbraw/zinc/55/75/06/278557506.db2.gz AGURXJRMZAQSHU-DYVFJYSZSA-N 1 0 288.391 2.405 20 70 CEIDRO C[C@H]1C[C@H](Nc2nnc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000160177045 280014660 /nfs/dbraw/zinc/01/46/60/280014660.db2.gz ZJURGEJTBHDMIL-NKWVEPMBSA-N 1 0 280.319 2.452 20 70 CEIDRO CCCC[N@H+](CCO)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217620847 280209379 /nfs/dbraw/zinc/20/93/79/280209379.db2.gz LXMZEZQSHIBIOY-QLFBSQMISA-N 1 0 284.444 2.022 20 70 CEIDRO CCn1ccnc1C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000217800859 280209823 /nfs/dbraw/zinc/20/98/23/280209823.db2.gz BGXNKJHWEJGLRA-LBPRGKRZSA-N 1 0 296.415 2.296 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccnc1 ZINC000160917527 290008948 /nfs/dbraw/zinc/00/89/48/290008948.db2.gz SGIMWXHFNUNEQW-IACUBPJLSA-N 1 0 282.409 2.088 20 70 CEIDRO C[NH+](C)Cc1ccc(C(=O)NCCc2cccnc2)cc1 ZINC000159562845 297429161 /nfs/dbraw/zinc/42/91/61/297429161.db2.gz NYQIRSHLJLNIGO-UHFFFAOYSA-N 1 0 283.375 2.116 20 70 CEIDRO CC(C)(C)[NH+]1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000159738446 297430437 /nfs/dbraw/zinc/43/04/37/297430437.db2.gz QBSZTZMHRHFHRC-UHFFFAOYSA-N 1 0 267.417 2.491 20 70 CEIDRO Cc1ccc(-c2nc(C(=O)NCCC[NH3+])cs2)cc1 ZINC000160051780 534207075 /nfs/dbraw/zinc/20/70/75/534207075.db2.gz STUHBMKZBIWURH-UHFFFAOYSA-N 1 0 275.377 2.197 20 70 CEIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CNc2cccc(F)c2)C1 ZINC000161410561 519691170 /nfs/dbraw/zinc/69/11/70/519691170.db2.gz SMFBYCOOMOUTFQ-DOMZBBRYSA-N 1 0 293.386 2.083 20 70 CEIDRO CCN1CCC([N@H+](C)CCCCn2ccnc2C)CC1 ZINC000161352643 521561557 /nfs/dbraw/zinc/56/15/57/521561557.db2.gz LAXYDGVWFRFSDY-UHFFFAOYSA-N 1 0 278.444 2.388 20 70 CEIDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000160546027 521659320 /nfs/dbraw/zinc/65/93/20/521659320.db2.gz HWUJRGUAFIDZEF-UHFFFAOYSA-N 1 0 293.411 2.411 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000161341336 522031492 /nfs/dbraw/zinc/03/14/92/522031492.db2.gz LURNNPUCNBICDB-NWDGAFQWSA-N 1 0 291.395 2.402 20 70 CEIDRO COC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)C(C)C ZINC000160683763 522358984 /nfs/dbraw/zinc/35/89/84/522358984.db2.gz OPGQYXHFVQVWBR-IUODEOHRSA-N 1 0 276.380 2.373 20 70 CEIDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)[C@@H]1CCOC1 ZINC000161199619 522853776 /nfs/dbraw/zinc/85/37/76/522853776.db2.gz CFLXECIARSFLKR-QLFBSQMISA-N 1 0 254.418 2.266 20 70 CEIDRO CCn1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000161083948 523476014 /nfs/dbraw/zinc/47/60/14/523476014.db2.gz BQZGKWCVEAWDOV-CFVMTHIKSA-N 1 0 264.417 2.426 20 70 CEIDRO CCc1cc(C)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000160369309 523780617 /nfs/dbraw/zinc/78/06/17/523780617.db2.gz FNWLACCWPWLQAI-LBPRGKRZSA-N 1 0 264.369 2.174 20 70 CEIDRO C[N@@H+]1CCN(CCOCC2CC2)[C@H](c2ccccc2)C1 ZINC000161337754 523903645 /nfs/dbraw/zinc/90/36/45/523903645.db2.gz PWJCEJDMKIBVFP-KRWDZBQOSA-N 1 0 274.408 2.402 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161076820 525543643 /nfs/dbraw/zinc/54/36/43/525543643.db2.gz IBCQSJHODGRLRV-CQSZACIVSA-N 1 0 294.464 2.452 20 70 CEIDRO O=C(Nc1cccnn1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000160522991 527449385 /nfs/dbraw/zinc/44/93/85/527449385.db2.gz QZPDTBUKRCMVSJ-UHFFFAOYSA-N 1 0 289.383 2.005 20 70 CEIDRO CC(C)(C)CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159489436 344455024 /nfs/dbraw/zinc/45/50/24/344455024.db2.gz XSRFVJGFGFWSPT-ZDUSSCGKSA-N 1 0 252.402 2.413 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000160119788 344457018 /nfs/dbraw/zinc/45/70/18/344457018.db2.gz WKOFLDKOOKHBSA-INIZCTEOSA-N 1 0 274.408 2.390 20 70 CEIDRO Cn1ncc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C(F)(F)F ZINC000159810261 530018103 /nfs/dbraw/zinc/01/81/03/530018103.db2.gz XGGYPEUIRRGTMR-KOLCDFICSA-N 1 0 291.317 2.032 20 70 CEIDRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)N1CCc2ccccc2C1 ZINC000159797617 188442408 /nfs/dbraw/zinc/44/24/08/188442408.db2.gz PVFIGFXOCYQIAQ-IIDMSEBBSA-N 1 0 288.435 2.448 20 70 CEIDRO CC[N@H+](C)CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160147705 188457361 /nfs/dbraw/zinc/45/73/61/188457361.db2.gz UWYQYHACUURDQI-UHFFFAOYSA-N 1 0 293.392 2.014 20 70 CEIDRO Cc1cccc(C2(C(=O)N3CC[C@@H]([NH3+])C3)CCCC2)c1 ZINC000160275074 188463077 /nfs/dbraw/zinc/46/30/77/188463077.db2.gz HQYNTDZCEDKPGD-OAHLLOKOSA-N 1 0 272.392 2.366 20 70 CEIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cn1 ZINC000160045686 188452546 /nfs/dbraw/zinc/45/25/46/188452546.db2.gz NFKMHQGNESSVQA-JSGCOSHPSA-N 1 0 264.369 2.383 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)C1CCC1 ZINC000161187598 188514095 /nfs/dbraw/zinc/51/40/95/188514095.db2.gz CRMFCCIKONSRJV-OLZOCXBDSA-N 1 0 260.381 2.470 20 70 CEIDRO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CC[NH3+])C1 ZINC000161042995 188504862 /nfs/dbraw/zinc/50/48/62/188504862.db2.gz NEAUPWXHMURANB-GWCFXTLKSA-N 1 0 250.317 2.084 20 70 CEIDRO CCCn1nccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000159983921 540109018 /nfs/dbraw/zinc/10/90/18/540109018.db2.gz CHXMUGHRJCTEGX-AWEZNQCLSA-N 1 0 287.363 2.223 20 70 CEIDRO CCCn1nccc1CNC1CC[NH+](CCC)CC1 ZINC000159988942 540109603 /nfs/dbraw/zinc/10/96/03/540109603.db2.gz RNCOVDDXWRGIBH-UHFFFAOYSA-N 1 0 264.417 2.257 20 70 CEIDRO [NH3+]Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000160063931 540111153 /nfs/dbraw/zinc/11/11/53/540111153.db2.gz OFPUGUHXFHXLTF-STQMWFEESA-N 1 0 259.353 2.409 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000160245621 540113984 /nfs/dbraw/zinc/11/39/84/540113984.db2.gz BTAKJMHLVNTKIC-AWEZNQCLSA-N 1 0 281.396 2.058 20 70 CEIDRO COc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000160886510 540126259 /nfs/dbraw/zinc/12/62/59/540126259.db2.gz HNWGNYWNLAUQBI-NEPJUHHUSA-N 1 0 262.353 2.003 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC000161168123 540134462 /nfs/dbraw/zinc/13/44/62/540134462.db2.gz RPFILJAMVZHMRN-GHMZBOCLSA-N 1 0 282.771 2.105 20 70 CEIDRO CSc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000161030356 540131181 /nfs/dbraw/zinc/13/11/81/540131181.db2.gz GLQPGIOFLGXKKN-DTWKUNHWSA-N 1 0 254.355 2.001 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCCC2 ZINC000161177904 540135059 /nfs/dbraw/zinc/13/50/59/540135059.db2.gz MYFIJPIEYJKDOG-LXTVHRRPSA-N 1 0 294.439 2.358 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)c1ccccc1OC ZINC000161202277 283555140 /nfs/dbraw/zinc/55/51/40/283555140.db2.gz DEUGZCHJXBYLCS-KBPBESRZSA-N 1 0 290.407 2.399 20 70 CEIDRO CC(C)c1ncc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000159549065 366925314 /nfs/dbraw/zinc/92/53/14/366925314.db2.gz XUJIOFYZQBQBIZ-NSHDSACASA-N 1 0 293.436 2.481 20 70 CEIDRO COc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(OC)c1 ZINC000159553682 366925630 /nfs/dbraw/zinc/92/56/30/366925630.db2.gz SOJBKKDIZCYYOP-UHFFFAOYSA-N 1 0 292.379 2.095 20 70 CEIDRO CC(C)c1ncc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000159549187 366925746 /nfs/dbraw/zinc/92/57/46/366925746.db2.gz XUJIOFYZQBQBIZ-LLVKDONJSA-N 1 0 293.436 2.481 20 70 CEIDRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2ccccc21 ZINC000159910360 366957897 /nfs/dbraw/zinc/95/78/97/366957897.db2.gz GQSWTQUIWUHLFB-OFQRWUPVSA-N 1 0 274.408 2.452 20 70 CEIDRO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159863639 366954191 /nfs/dbraw/zinc/95/41/91/366954191.db2.gz QUSIZQXWYPQNQL-CQSZACIVSA-N 1 0 291.439 2.345 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCC1CCC1 ZINC000159861382 366955289 /nfs/dbraw/zinc/95/52/89/366955289.db2.gz WLNZLBJZSMBQRT-UHFFFAOYSA-N 1 0 295.452 2.312 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159996035 366964319 /nfs/dbraw/zinc/96/43/19/366964319.db2.gz QEGVEBUOQYABDT-RWMBFGLXSA-N 1 0 267.417 2.345 20 70 CEIDRO CC(C)([NH3+])CNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000159979544 366964450 /nfs/dbraw/zinc/96/44/50/366964450.db2.gz GMLHOPHHLQWJEY-UHFFFAOYSA-N 1 0 266.772 2.225 20 70 CEIDRO [NH3+]CCCNC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000160068173 366970329 /nfs/dbraw/zinc/97/03/29/366970329.db2.gz XLDGKDGELFIFDY-AATRIKPKSA-N 1 0 273.163 2.472 20 70 CEIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cn1 ZINC000160045426 366968224 /nfs/dbraw/zinc/96/82/24/366968224.db2.gz NFKMHQGNESSVQA-GXTWGEPZSA-N 1 0 264.369 2.383 20 70 CEIDRO O=C(NCc1ccccc1OCC1CC1)[C@H]1CCC[NH2+]C1 ZINC000160100126 366973651 /nfs/dbraw/zinc/97/36/51/366973651.db2.gz VWAXXBFXMXWQRD-HNNXBMFYSA-N 1 0 288.391 2.091 20 70 CEIDRO C[NH2+]C[C@H]1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC000160197896 366982130 /nfs/dbraw/zinc/98/21/30/366982130.db2.gz GOQGZLYTOUUNJE-WFWUXJIDSA-N 1 0 276.424 2.127 20 70 CEIDRO C[N@H+](CCCNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000160220146 366984448 /nfs/dbraw/zinc/98/44/48/366984448.db2.gz BDQORKDKURDNIN-MRXNPFEDSA-N 1 0 290.407 2.194 20 70 CEIDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)O1 ZINC000160266431 366987345 /nfs/dbraw/zinc/98/73/45/366987345.db2.gz JNSPMDCVTMZHEH-ZDUSSCGKSA-N 1 0 297.420 2.137 20 70 CEIDRO CC[C@]1(C(=O)Nc2ccc(F)c(OC)c2)CCC[NH2+]1 ZINC000160349896 366997857 /nfs/dbraw/zinc/99/78/57/366997857.db2.gz PSGGMWQZRGLDEP-CQSZACIVSA-N 1 0 266.316 2.305 20 70 CEIDRO CC1(C)C[C@H]([NH2+]Cc2nccn2CC(F)(F)F)CCO1 ZINC000160581112 367019409 /nfs/dbraw/zinc/01/94/09/367019409.db2.gz AYDWYPNRTQLIPP-SNVBAGLBSA-N 1 0 291.317 2.493 20 70 CEIDRO CC[C@](C)(O)C[NH2+]Cc1cncc(Br)c1 ZINC000160583118 367019861 /nfs/dbraw/zinc/01/98/61/367019861.db2.gz JAVVADFDZGVBQF-NSHDSACASA-N 1 0 273.174 2.095 20 70 CEIDRO COCC[N@H+](Cc1c[nH]nc1C)Cc1ccccc1 ZINC000160455035 367008491 /nfs/dbraw/zinc/00/84/91/367008491.db2.gz XLMIAXXIYVMLHA-UHFFFAOYSA-N 1 0 259.353 2.367 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000160553648 367016634 /nfs/dbraw/zinc/01/66/34/367016634.db2.gz MUZMTVQAAMDKAV-OLZOCXBDSA-N 1 0 278.396 2.161 20 70 CEIDRO COc1ccc([C@H](C)CCNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160555943 367017047 /nfs/dbraw/zinc/01/70/47/367017047.db2.gz SRPNUTSLKOIGJU-HIFRSBDPSA-N 1 0 290.407 2.447 20 70 CEIDRO CCCC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000160780466 367034048 /nfs/dbraw/zinc/03/40/48/367034048.db2.gz WWDAEBVYGQTKMN-KGLIPLIRSA-N 1 0 252.402 2.461 20 70 CEIDRO CN(C[C@H]1CCCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160834024 367036977 /nfs/dbraw/zinc/03/69/77/367036977.db2.gz SFVRWRICIZQYDZ-MRXNPFEDSA-N 1 0 290.407 2.389 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160907304 367042919 /nfs/dbraw/zinc/04/29/19/367042919.db2.gz MDCBFHJFJRMUED-BPLDGKMQSA-N 1 0 292.448 2.471 20 70 CEIDRO CO[C@@H]1CCN(Cc2ccc(SC)cc2)[C@H](C[NH3+])C1 ZINC000160982788 367047357 /nfs/dbraw/zinc/04/73/57/367047357.db2.gz POKWJFBUJLTACL-UONOGXRCSA-N 1 0 280.437 2.347 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161039834 367051502 /nfs/dbraw/zinc/05/15/02/367051502.db2.gz FQKYGDOLHZLCOT-SOUVJXGZSA-N 1 0 292.379 2.045 20 70 CEIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000161070809 367053305 /nfs/dbraw/zinc/05/33/05/367053305.db2.gz BSPPDAZMYCADSC-RDBSUJKOSA-N 1 0 252.402 2.445 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000161124329 367059626 /nfs/dbraw/zinc/05/96/26/367059626.db2.gz UASVXGVTJLCGHM-GFCCVEGCSA-N 1 0 259.353 2.121 20 70 CEIDRO COC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C(C)C ZINC000161141049 367061022 /nfs/dbraw/zinc/06/10/22/367061022.db2.gz TWTQTYZTRXWDNO-ZDUSSCGKSA-N 1 0 265.353 2.218 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000161171334 367063632 /nfs/dbraw/zinc/06/36/32/367063632.db2.gz JJGBTMVWXALITD-JSGCOSHPSA-N 1 0 280.437 2.295 20 70 CEIDRO COCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000161217016 367068169 /nfs/dbraw/zinc/06/81/69/367068169.db2.gz VTTSBGUTSWIMPD-CQSZACIVSA-N 1 0 284.444 2.286 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccccc1OC(F)F ZINC000161252096 367071301 /nfs/dbraw/zinc/07/13/01/367071301.db2.gz KNYFEYCVYOZOCI-LBPRGKRZSA-N 1 0 298.333 2.041 20 70 CEIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)N3CCCCCC3)CC[C@@H]21 ZINC000160705527 367028122 /nfs/dbraw/zinc/02/81/22/367028122.db2.gz RJLVJWQBLOSNKS-GJZGRUSLSA-N 1 0 279.428 2.399 20 70 CEIDRO Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)ccc1O ZINC000160688542 367028757 /nfs/dbraw/zinc/02/87/57/367028757.db2.gz KTQXHAIKFDXOPD-GFCCVEGCSA-N 1 0 280.393 2.076 20 70 CEIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC2(CCC2)C1 ZINC000160705085 367028783 /nfs/dbraw/zinc/02/87/83/367028783.db2.gz DLROKOKWPVNTKJ-ZDUSSCGKSA-N 1 0 277.412 2.056 20 70 CEIDRO CC[C@@H]([NH2+]CCCC(N)=O)c1ccc(F)cc1F ZINC000160756263 367031634 /nfs/dbraw/zinc/03/16/34/367031634.db2.gz ALFSMUGSXZVFSF-GFCCVEGCSA-N 1 0 256.296 2.271 20 70 CEIDRO COCC[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160766828 367032167 /nfs/dbraw/zinc/03/21/67/367032167.db2.gz KVFJGARKQWBIGI-ZBFHGGJFSA-N 1 0 290.407 2.365 20 70 CEIDRO CC[C@](C)(O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000160761942 367032238 /nfs/dbraw/zinc/03/22/38/367032238.db2.gz WFNCNYWKSKFDDN-BBRMVZONSA-N 1 0 284.444 2.020 20 70 CEIDRO CC(C)C(=O)NCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218071070 370205043 /nfs/dbraw/zinc/20/50/43/370205043.db2.gz LRHIHEYPMQWJAT-UHFFFAOYSA-N 1 0 259.353 2.030 20 70 CEIDRO Cc1nc(CC[NH2+]Cc2cn3ccccc3n2)cs1 ZINC000218207254 370206892 /nfs/dbraw/zinc/20/68/92/370206892.db2.gz IHTNLQLHVINGMV-UHFFFAOYSA-N 1 0 272.377 2.432 20 70 CEIDRO COCCN(C)CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000159403068 395058539 /nfs/dbraw/zinc/05/85/39/395058539.db2.gz MFGLNJZNBOSZBI-INIZCTEOSA-N 1 0 294.464 2.185 20 70 CEIDRO COc1ccc([C@@H]2CC[N@@H+](CC(OC)OC)C2)cc1 ZINC000160775625 395062011 /nfs/dbraw/zinc/06/20/11/395062011.db2.gz XVLAANTWEZXZEC-CYBMUJFWSA-N 1 0 265.353 2.103 20 70 CEIDRO CCc1ncnc(NCC(C)(C)C[NH+](C)C)c1F ZINC000217954927 153295525 /nfs/dbraw/zinc/29/55/25/153295525.db2.gz MCEOLIFVMAQBRG-UHFFFAOYSA-N 1 0 254.353 2.178 20 70 CEIDRO CN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000159788600 162311882 /nfs/dbraw/zinc/31/18/82/162311882.db2.gz GZCLUGWDWSJRSB-LBPRGKRZSA-N 1 0 288.725 2.428 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)NC1(c2ccccc2F)CC1 ZINC000159760499 162314123 /nfs/dbraw/zinc/31/41/23/162314123.db2.gz AHFBJUDLLGLOBN-LLVKDONJSA-N 1 0 262.328 2.073 20 70 CEIDRO CCc1nn(C)c(CC)c1CNC[C@@H](C)[NH+](CC)CC ZINC000159847617 162315657 /nfs/dbraw/zinc/31/56/57/162315657.db2.gz IDQARZYMOYJBRU-CYBMUJFWSA-N 1 0 280.460 2.365 20 70 CEIDRO COCCC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000159847209 162316851 /nfs/dbraw/zinc/31/68/51/162316851.db2.gz KIQSNVJONXYJCR-UHFFFAOYSA-N 1 0 294.439 2.184 20 70 CEIDRO CC(C)Cc1ncc(C[NH+]2CCC(CC(N)=O)CC2)s1 ZINC000159844464 162317051 /nfs/dbraw/zinc/31/70/51/162317051.db2.gz ICALVXMNGLREBA-UHFFFAOYSA-N 1 0 295.452 2.429 20 70 CEIDRO CCOCCC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000159966925 162319697 /nfs/dbraw/zinc/31/96/97/162319697.db2.gz RFYVBTUDXVMXCY-AWEZNQCLSA-N 1 0 284.444 2.286 20 70 CEIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1nccs1 ZINC000159889111 162320802 /nfs/dbraw/zinc/32/08/02/162320802.db2.gz KJGJJGBKBLDZMC-GFCCVEGCSA-N 1 0 296.440 2.331 20 70 CEIDRO COc1cc(C[NH2+]CC2(CO)CCCC2)cc(OC)c1 ZINC000160090797 162322487 /nfs/dbraw/zinc/32/24/87/162322487.db2.gz NSDKXIHESXYCFB-UHFFFAOYSA-N 1 0 279.380 2.346 20 70 CEIDRO CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CCCC1 ZINC000160217098 162325870 /nfs/dbraw/zinc/32/58/70/162325870.db2.gz URWQINVGJRAUCG-BETUJISGSA-N 1 0 250.386 2.310 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(-n2cnnn2)cc1 ZINC000160144052 274254677 /nfs/dbraw/zinc/25/46/77/274254677.db2.gz ZPAFLRIDTHBEPJ-WDEREUQCSA-N 1 0 257.341 2.111 20 70 CEIDRO CCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160087476 276067455 /nfs/dbraw/zinc/06/74/55/276067455.db2.gz HAFFHJBFNVPPNW-HIFRSBDPSA-N 1 0 275.396 2.311 20 70 CEIDRO CC[C@H](COC)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160142074 287888176 /nfs/dbraw/zinc/88/81/76/287888176.db2.gz BPTAXYAYGRTXFD-OAHLLOKOSA-N 1 0 268.376 2.272 20 70 CEIDRO CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc2C1 ZINC000160120281 276743727 /nfs/dbraw/zinc/74/37/27/276743727.db2.gz JFRWOARFSBCWPH-HOTGVXAUSA-N 1 0 272.392 2.002 20 70 CEIDRO O=C(/C=C\c1ccc(Cl)cc1)NCC1CC[NH2+]CC1 ZINC000217469423 280209393 /nfs/dbraw/zinc/20/93/93/280209393.db2.gz XZZPPTYNBYDROW-UTCJRWHESA-N 1 0 278.783 2.469 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000160253393 295318121 /nfs/dbraw/zinc/31/81/21/295318121.db2.gz SWSCYSMHGWDEJM-NEPJUHHUSA-N 1 0 286.297 2.282 20 70 CEIDRO CS[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159687288 312633540 /nfs/dbraw/zinc/63/35/40/312633540.db2.gz JUMRISVGSRCGTO-CHWSQXEVSA-N 1 0 287.473 2.159 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000159882396 312635070 /nfs/dbraw/zinc/63/50/70/312635070.db2.gz MBPRYJYGFYVXIL-MLGOLLRUSA-N 1 0 260.381 2.424 20 70 CEIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000160913759 312643181 /nfs/dbraw/zinc/64/31/81/312643181.db2.gz FOWPDYBNXHWGLO-KBPBESRZSA-N 1 0 279.428 2.349 20 70 CEIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2(C3CC3)CC2)C1 ZINC000160913873 312643281 /nfs/dbraw/zinc/64/32/81/312643281.db2.gz FOWPDYBNXHWGLO-ZIAGYGMSSA-N 1 0 279.428 2.349 20 70 CEIDRO CCCCOCCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000160408906 520753038 /nfs/dbraw/zinc/75/30/38/520753038.db2.gz FXZSDIDATIWDPU-UHFFFAOYSA-N 1 0 279.384 2.474 20 70 CEIDRO CCN(CC1CC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160875078 520948576 /nfs/dbraw/zinc/94/85/76/520948576.db2.gz NNWBADVYBDVGFF-AWEZNQCLSA-N 1 0 279.428 2.445 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000160430529 521649835 /nfs/dbraw/zinc/64/98/35/521649835.db2.gz SIMMGQKFVQCMFZ-FUNVUKJBSA-N 1 0 280.412 2.016 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000161314546 522322866 /nfs/dbraw/zinc/32/28/66/522322866.db2.gz MSCZIHFLGQNPCQ-ZLDLUXBVSA-N 1 0 276.380 2.137 20 70 CEIDRO COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)c(OC)c1 ZINC000160354017 525329684 /nfs/dbraw/zinc/32/96/84/525329684.db2.gz NDHPHHMQQUXRGM-RYUDHWBXSA-N 1 0 299.436 2.468 20 70 CEIDRO COc1cccc(CCC[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000160527023 525885404 /nfs/dbraw/zinc/88/54/04/525885404.db2.gz JERPNCBHMLJENW-ZFWWWQNUSA-N 1 0 290.407 2.214 20 70 CEIDRO C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160806613 526266054 /nfs/dbraw/zinc/26/60/54/526266054.db2.gz IBSHFVMFMGVMCU-KBPBESRZSA-N 1 0 279.428 2.445 20 70 CEIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000160098688 527255674 /nfs/dbraw/zinc/25/56/74/527255674.db2.gz POAIBVFOBNCBBG-QWRGUYRKSA-N 1 0 298.333 2.245 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1c(F)ccc(F)c1OC ZINC000160524967 528945679 /nfs/dbraw/zinc/94/56/79/528945679.db2.gz VLGGTSMUIHYAKS-UHFFFAOYSA-N 1 0 286.322 2.221 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1C)CC2 ZINC000160407703 282118712 /nfs/dbraw/zinc/11/87/12/282118712.db2.gz MANYZSGZQXEYJT-YLVFBTJISA-N 1 0 282.391 2.424 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3ccc(C)cc31)CC2 ZINC000160494535 282119278 /nfs/dbraw/zinc/11/92/78/282119278.db2.gz LTQYMOSRCWSINJ-HOCLYGCPSA-N 1 0 282.391 2.487 20 70 CEIDRO Cc1cccc(CC[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000159843874 344456380 /nfs/dbraw/zinc/45/63/80/344456380.db2.gz DEZGQCVOTVRYGE-INIZCTEOSA-N 1 0 268.360 2.354 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)c1cccs1 ZINC000160183235 344457438 /nfs/dbraw/zinc/45/74/38/344457438.db2.gz QIJGYZKPPFEZCQ-LLVKDONJSA-N 1 0 254.399 2.308 20 70 CEIDRO C[NH+](C)C1(CNC(=O)CCC(C)(C)C)CCOCC1 ZINC000160333559 344458441 /nfs/dbraw/zinc/45/84/41/344458441.db2.gz XJICCVLYQDOVJN-UHFFFAOYSA-N 1 0 270.417 2.040 20 70 CEIDRO CCS[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000161472848 344464395 /nfs/dbraw/zinc/46/43/95/344464395.db2.gz ITJUYNHXZGFEJI-TUAOUCFPSA-N 1 0 258.431 2.150 20 70 CEIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000160283402 232250538 /nfs/dbraw/zinc/25/05/38/232250538.db2.gz SLVCDLNSZPPDTM-YPMHNXCESA-N 1 0 297.420 2.222 20 70 CEIDRO Cc1cccc(C(C)(C)NC(=O)C[NH2+]CC2CC2)c1 ZINC000159645202 188435453 /nfs/dbraw/zinc/43/54/53/188435453.db2.gz YMCVEWIOHCDXPJ-UHFFFAOYSA-N 1 0 260.381 2.346 20 70 CEIDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCc1cc2ccccc2o1 ZINC000160486459 188476665 /nfs/dbraw/zinc/47/66/65/188476665.db2.gz ZBJGFWLCUHZPAV-OQUILHJVSA-N 1 0 298.386 2.465 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CCc1c(C)noc1Cl ZINC000160426376 188471801 /nfs/dbraw/zinc/47/18/01/188471801.db2.gz JPTWZMSLMPDKDA-UHFFFAOYSA-N 1 0 287.791 2.203 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(F)cc1OC(F)F ZINC000161084713 188507037 /nfs/dbraw/zinc/50/70/37/188507037.db2.gz YXTBVBIHUAZMLG-SSDOTTSWSA-N 1 0 276.258 2.221 20 70 CEIDRO Cc1ccc(OC[C@@H](O)C[NH2+]CCOC(C)C)c(C)c1 ZINC000160200539 540113613 /nfs/dbraw/zinc/11/36/13/540113613.db2.gz FRSQXCTYQGIYFW-HNNXBMFYSA-N 1 0 281.396 2.058 20 70 CEIDRO COc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000160886284 540126342 /nfs/dbraw/zinc/12/63/42/540126342.db2.gz HNWGNYWNLAUQBI-RYUDHWBXSA-N 1 0 262.353 2.003 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC000160964281 540128487 /nfs/dbraw/zinc/12/84/87/540128487.db2.gz ORUKRPRNQKYTDU-ZJUUUORDSA-N 1 0 252.745 2.340 20 70 CEIDRO C[C@H]1CN(C(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)CO1 ZINC000161089890 540132953 /nfs/dbraw/zinc/13/29/53/540132953.db2.gz MMXYKYVCFNRXCI-ZFWWWQNUSA-N 1 0 288.391 2.247 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccccc2F)C1 ZINC000161133223 540133475 /nfs/dbraw/zinc/13/34/75/540133475.db2.gz YWTPOXOFBWIOGS-STQMWFEESA-N 1 0 264.344 2.144 20 70 CEIDRO COc1ccc(SCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161137406 540133837 /nfs/dbraw/zinc/13/38/37/540133837.db2.gz ADRPBPSNAPLZOE-NWDGAFQWSA-N 1 0 294.420 2.173 20 70 CEIDRO CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161413635 540137461 /nfs/dbraw/zinc/13/74/61/540137461.db2.gz WXJMYKRSHIDREL-OUAUKWLOSA-N 1 0 297.424 2.159 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(OC(F)F)cc2)C1 ZINC000161385470 540137501 /nfs/dbraw/zinc/13/75/01/540137501.db2.gz DTEIAORDYICWSF-MNOVXSKESA-N 1 0 284.306 2.288 20 70 CEIDRO COc1cc(C)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000161446554 540138330 /nfs/dbraw/zinc/13/83/30/540138330.db2.gz NQKTUUXRHHWADF-RYUDHWBXSA-N 1 0 292.379 2.012 20 70 CEIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc3ccccn23)CCO1 ZINC000160625439 540628817 /nfs/dbraw/zinc/62/88/17/540628817.db2.gz XPQPOOPEUDHOPT-LBPRGKRZSA-N 1 0 259.353 2.382 20 70 CEIDRO Cc1ccn(-c2ccccc2NC(=O)[C@H](C)[NH+](C)C)n1 ZINC000161200693 540739296 /nfs/dbraw/zinc/73/92/96/540739296.db2.gz PEJBYKHFMOXTMX-LBPRGKRZSA-N 1 0 272.352 2.069 20 70 CEIDRO CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)O ZINC000159686100 366939193 /nfs/dbraw/zinc/93/91/93/366939193.db2.gz LZXBVYGILZABRG-UHFFFAOYSA-N 1 0 298.471 2.364 20 70 CEIDRO COCC(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000159711425 366941458 /nfs/dbraw/zinc/94/14/58/366941458.db2.gz SSICQIORHNJXAR-ZDUSSCGKSA-N 1 0 270.417 2.040 20 70 CEIDRO COC(=O)c1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(C)s1 ZINC000159707362 366941662 /nfs/dbraw/zinc/94/16/62/366941662.db2.gz YGMOCGZNIBOMCD-YPMHNXCESA-N 1 0 297.420 2.436 20 70 CEIDRO CC(C)c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)[nH]n1 ZINC000159741486 366944870 /nfs/dbraw/zinc/94/48/70/366944870.db2.gz COHARJGGNGCPDO-UHFFFAOYSA-N 1 0 290.411 2.137 20 70 CEIDRO Cn1cc(Cl)cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159741833 366945375 /nfs/dbraw/zinc/94/53/75/366945375.db2.gz AJSSJUKIYXAKIX-UHFFFAOYSA-N 1 0 269.776 2.070 20 70 CEIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cnccn1 ZINC000159375261 366907384 /nfs/dbraw/zinc/90/73/84/366907384.db2.gz LRXQGTFJFUUWBM-OCCSQVGLSA-N 1 0 251.374 2.314 20 70 CEIDRO COCCC1(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000159377809 366907885 /nfs/dbraw/zinc/90/78/85/366907885.db2.gz BXWLNEZUESYOFM-UHFFFAOYSA-N 1 0 282.428 2.182 20 70 CEIDRO O=C([C@H](OC1CCCC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000159389278 366909443 /nfs/dbraw/zinc/90/94/43/366909443.db2.gz VZYDHVFMJZFIQK-MRXNPFEDSA-N 1 0 288.391 2.119 20 70 CEIDRO O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000159388104 366909476 /nfs/dbraw/zinc/90/94/76/366909476.db2.gz UFVYSVMEFUCFFN-GFCCVEGCSA-N 1 0 286.297 2.154 20 70 CEIDRO C[N@H+](CCNC(=O)c1cccc2[nH]cnc21)C1CCCC1 ZINC000159422287 366911687 /nfs/dbraw/zinc/91/16/87/366911687.db2.gz JKTXCJFFJKEYCZ-UHFFFAOYSA-N 1 0 286.379 2.167 20 70 CEIDRO C[N@@H+](Cc1cccc(Cl)n1)C[C@H]1CCC[C@@H]1O ZINC000159448716 366914362 /nfs/dbraw/zinc/91/43/62/366914362.db2.gz UYIGNFJWVMEDRL-PWSUYJOCSA-N 1 0 254.761 2.328 20 70 CEIDRO CCCO[C@H]1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000159470822 366917062 /nfs/dbraw/zinc/91/70/62/366917062.db2.gz KUSVMLTZSJSEKW-AWEZNQCLSA-N 1 0 270.417 2.182 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cnn(-c2ccccc2F)c1 ZINC000159484976 366917417 /nfs/dbraw/zinc/91/74/17/366917417.db2.gz IHEYNCOXBBEXRV-LLVKDONJSA-N 1 0 288.326 2.092 20 70 CEIDRO [NH3+]C1(CNC(=O)c2ccccc2F)CCCCC1 ZINC000159509866 366921601 /nfs/dbraw/zinc/92/16/01/366921601.db2.gz KULKQEXZXKEWKD-UHFFFAOYSA-N 1 0 250.317 2.217 20 70 CEIDRO Cc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1C ZINC000159767914 366946531 /nfs/dbraw/zinc/94/65/31/366946531.db2.gz LQQMUWZXDPLNBW-UHFFFAOYSA-N 1 0 260.381 2.391 20 70 CEIDRO COc1ccc(OC)c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159560214 366927360 /nfs/dbraw/zinc/92/73/60/366927360.db2.gz MKNOKDMWNNZCJK-UHFFFAOYSA-N 1 0 292.379 2.095 20 70 CEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(CCOC)CCCC1 ZINC000159570385 366927431 /nfs/dbraw/zinc/92/74/31/366927431.db2.gz YYQHLXQKHYOQJY-AWEZNQCLSA-N 1 0 282.428 2.184 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159560543 366927460 /nfs/dbraw/zinc/92/74/60/366927460.db2.gz BIUIOXOXLSSYMW-CYBMUJFWSA-N 1 0 276.380 2.358 20 70 CEIDRO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000159604553 366931216 /nfs/dbraw/zinc/93/12/16/366931216.db2.gz GJFXUDWGRDZNSS-LGVMCUBASA-N 1 0 288.391 2.294 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159625783 366932179 /nfs/dbraw/zinc/93/21/79/366932179.db2.gz HOYBVLXMITZSGP-OLZOCXBDSA-N 1 0 267.417 2.205 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159859667 366954159 /nfs/dbraw/zinc/95/41/59/366954159.db2.gz GAYYMPLESGMEGF-RYUDHWBXSA-N 1 0 255.406 2.203 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159995766 366963222 /nfs/dbraw/zinc/96/32/22/366963222.db2.gz QEGVEBUOQYABDT-AVGNSLFASA-N 1 0 267.417 2.345 20 70 CEIDRO CCSCc1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160013037 366965017 /nfs/dbraw/zinc/96/50/17/366965017.db2.gz KZUCCGXFOSTSRJ-UHFFFAOYSA-N 1 0 266.410 2.407 20 70 CEIDRO COc1cc(C(=O)NCC(C)(C)[NH3+])ccc1OCC(C)C ZINC000160011927 366966160 /nfs/dbraw/zinc/96/61/60/366966160.db2.gz GEDXHGQYRIOBDT-UHFFFAOYSA-N 1 0 294.395 2.197 20 70 CEIDRO CCCOc1ccc(CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160052829 366968396 /nfs/dbraw/zinc/96/83/96/366968396.db2.gz LQHPMOXNDFWFTF-UHFFFAOYSA-N 1 0 278.396 2.262 20 70 CEIDRO CN(Cc1ccc(-n2ccnc2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000160110119 366975570 /nfs/dbraw/zinc/97/55/70/366975570.db2.gz LBLGJTPJEOEJNM-INIZCTEOSA-N 1 0 270.380 2.041 20 70 CEIDRO Cc1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000160151445 366978124 /nfs/dbraw/zinc/97/81/24/366978124.db2.gz IDBKXKCGRRPWEG-CQSZACIVSA-N 1 0 295.814 2.256 20 70 CEIDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000160240675 366985832 /nfs/dbraw/zinc/98/58/32/366985832.db2.gz XVJYCMDNFGDEPM-SNVBAGLBSA-N 1 0 274.286 2.324 20 70 CEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(C)CCCS1 ZINC000160305613 366993211 /nfs/dbraw/zinc/99/32/11/366993211.db2.gz WIBKFQVYTFLSOV-HIFRSBDPSA-N 1 0 299.484 2.446 20 70 CEIDRO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)CN1C1CC1 ZINC000160071506 366970525 /nfs/dbraw/zinc/97/05/25/366970525.db2.gz HNVZVOONFBCDOE-ZLDLUXBVSA-N 1 0 280.437 2.170 20 70 CEIDRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160611420 367022618 /nfs/dbraw/zinc/02/26/18/367022618.db2.gz IMJQZOPIIDKSPX-ORAYPTAESA-N 1 0 281.421 2.471 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)COC)c1 ZINC000160635110 367023539 /nfs/dbraw/zinc/02/35/39/367023539.db2.gz PGPDIYIBEWQQDU-OAHLLOKOSA-N 1 0 278.396 2.341 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(F)cc2nccnc21 ZINC000160466230 367008604 /nfs/dbraw/zinc/00/86/04/367008604.db2.gz CCKNGKWPHKAESF-UHFFFAOYSA-N 1 0 290.342 2.016 20 70 CEIDRO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc12 ZINC000160479460 367009923 /nfs/dbraw/zinc/00/99/23/367009923.db2.gz SSQJWPGRZXEYIC-CYBMUJFWSA-N 1 0 288.395 2.324 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc(OC)c(OC)cc1C ZINC000160523088 367013810 /nfs/dbraw/zinc/01/38/10/367013810.db2.gz KQPNRGZEXOQUJX-UHFFFAOYSA-N 1 0 294.395 2.260 20 70 CEIDRO CSCC[C@@H]([NH3+])C(=O)NCc1oc2ccccc2c1C ZINC000160818677 367035578 /nfs/dbraw/zinc/03/55/78/367035578.db2.gz RNCWDYDFAWVACO-GFCCVEGCSA-N 1 0 292.404 2.438 20 70 CEIDRO C[N@H+](CCNC(=O)NC1(C)CCC1)C1CCCC1 ZINC000160843567 367038507 /nfs/dbraw/zinc/03/85/07/367038507.db2.gz JZYBGDSOGZMBLC-UHFFFAOYSA-N 1 0 253.390 2.103 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160890535 367041112 /nfs/dbraw/zinc/04/11/12/367041112.db2.gz NMDVLVMDBGRXNO-OBJOEFQTSA-N 1 0 280.437 2.375 20 70 CEIDRO C[C@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161070803 367053198 /nfs/dbraw/zinc/05/31/98/367053198.db2.gz NYRWERTYIDLLJC-VIFPVBQESA-N 1 0 250.346 2.133 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)c2cccnc2Cl)CC1 ZINC000161077188 367053414 /nfs/dbraw/zinc/05/34/14/367053414.db2.gz KLSRXWYGIDZHQW-UHFFFAOYSA-N 1 0 281.787 2.197 20 70 CEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161350861 367080220 /nfs/dbraw/zinc/08/02/20/367080220.db2.gz OUXBYXDEMLDYBN-GDBMZVCRSA-N 1 0 274.408 2.493 20 70 CEIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)C[NH2+]C ZINC000161106732 367057966 /nfs/dbraw/zinc/05/79/66/367057966.db2.gz PUHHVJROFALPLI-HIFRSBDPSA-N 1 0 262.397 2.322 20 70 CEIDRO CCO[C@H]1C[C@H](NC(=O)CC[NH2+]C(C)C)C12CCCC2 ZINC000161112403 367058364 /nfs/dbraw/zinc/05/83/64/367058364.db2.gz CTWBWXOOMNRQJQ-KBPBESRZSA-N 1 0 282.428 2.229 20 70 CEIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CCOCC1 ZINC000161154676 367062426 /nfs/dbraw/zinc/06/24/26/367062426.db2.gz VOUBOPUQKVXFJR-LBPRGKRZSA-N 1 0 277.364 2.363 20 70 CEIDRO CCC[N@H+](CCO)Cc1cc(-c2ccccc2)n[nH]1 ZINC000161236614 367070202 /nfs/dbraw/zinc/07/02/02/367070202.db2.gz ONNOBXKEPXHTTH-UHFFFAOYSA-N 1 0 259.353 2.281 20 70 CEIDRO C[C@]1(C(=O)NCCOc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000161468691 367089549 /nfs/dbraw/zinc/08/95/49/367089549.db2.gz VBMPLUWXGFCWAI-HNNXBMFYSA-N 1 0 296.798 2.225 20 70 CEIDRO Cc1cccc(C(=O)N2CC[NH+](CC3CC3)CC2)c1F ZINC000161482074 367090514 /nfs/dbraw/zinc/09/05/14/367090514.db2.gz MULBPUUVBJZNTC-UHFFFAOYSA-N 1 0 276.355 2.302 20 70 CEIDRO CCCC[N@H+](CCO)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000217622516 370199223 /nfs/dbraw/zinc/19/92/23/370199223.db2.gz NJSLOBGJCPYTAC-HZPDHXFCSA-N 1 0 296.455 2.262 20 70 CEIDRO COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000217725215 370200571 /nfs/dbraw/zinc/20/05/71/370200571.db2.gz GPOLHQIASNMAFE-NEPJUHHUSA-N 1 0 292.354 2.143 20 70 CEIDRO CCc1ncnc(NCC[N@@H+](C)[C@H](C)CC)c1F ZINC000218002896 370204348 /nfs/dbraw/zinc/20/43/48/370204348.db2.gz PIBIOGJNVVZJEB-SNVBAGLBSA-N 1 0 254.353 2.320 20 70 CEIDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cccc2cc[nH]c21 ZINC000218128695 370204985 /nfs/dbraw/zinc/20/49/85/370204985.db2.gz DEPPWTSNFFGKAH-GFCCVEGCSA-N 1 0 271.364 2.268 20 70 CEIDRO Cn1nccc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000218236507 370207379 /nfs/dbraw/zinc/20/73/79/370207379.db2.gz RQNGPQJOFWGIOF-UHFFFAOYSA-N 1 0 270.380 2.179 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000160618309 532968576 /nfs/dbraw/zinc/96/85/76/532968576.db2.gz NNCZUSFIUDFERI-GFCCVEGCSA-N 1 0 292.427 2.195 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc2cccnc21 ZINC000217865298 130764080 /nfs/dbraw/zinc/76/40/80/130764080.db2.gz RKCONIFXBHKIJS-HNNXBMFYSA-N 1 0 276.405 2.438 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000160903559 395061940 /nfs/dbraw/zinc/06/19/40/395061940.db2.gz KIIXUWKPDJDAHP-LBPRGKRZSA-N 1 0 282.384 2.477 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000161314299 395063480 /nfs/dbraw/zinc/06/34/80/395063480.db2.gz MSCZIHFLGQNPCQ-WHOFXGATSA-N 1 0 276.380 2.137 20 70 CEIDRO Cc1cccc(O[C@@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000161168633 395063604 /nfs/dbraw/zinc/06/36/04/395063604.db2.gz AVKPXUWPYFJMDB-UONOGXRCSA-N 1 0 276.380 2.021 20 70 CEIDRO CC[C@@](C)(C[NH3+])c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000217092780 153296597 /nfs/dbraw/zinc/29/65/97/153296597.db2.gz SGPSQMXMRNKZBF-HNNXBMFYSA-N 1 0 291.351 2.380 20 70 CEIDRO O=C(CSC(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159758717 162311761 /nfs/dbraw/zinc/31/17/61/162311761.db2.gz QBWKERIHRNPLOE-UHFFFAOYSA-N 1 0 296.358 2.230 20 70 CEIDRO CN(C(=O)[C@@H]1CSc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159852177 162315818 /nfs/dbraw/zinc/31/58/18/162315818.db2.gz RFTOEUJFFFFDHA-CHWSQXEVSA-N 1 0 276.405 2.072 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNCc1ccccc1NC(C)=O ZINC000160246182 162324859 /nfs/dbraw/zinc/32/48/59/162324859.db2.gz KKZOIOYXQNQDLH-ZDUSSCGKSA-N 1 0 277.412 2.465 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000161245044 275954471 /nfs/dbraw/zinc/95/44/71/275954471.db2.gz WRJJSDQXTFYIIY-GFCCVEGCSA-N 1 0 296.386 2.474 20 70 CEIDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C[C@@H]1C ZINC000161477594 276287291 /nfs/dbraw/zinc/28/72/91/276287291.db2.gz HAFWOUHVWPHLDB-MQQNCABISA-N 1 0 283.412 2.247 20 70 CEIDRO CCN(CC)C(=O)[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000160709600 276319101 /nfs/dbraw/zinc/31/91/01/276319101.db2.gz OVUOCOMXQADYBQ-INIZCTEOSA-N 1 0 295.471 2.195 20 70 CEIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160123069 280095503 /nfs/dbraw/zinc/09/55/03/280095503.db2.gz WPQSXJOHHGNTNW-ZDUSSCGKSA-N 1 0 290.386 2.342 20 70 CEIDRO Cc1ccc2c(CN(C)[C@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000160128093 280095548 /nfs/dbraw/zinc/09/55/48/280095548.db2.gz VUXMOXIRMGRFDM-OAHLLOKOSA-N 1 0 286.375 2.271 20 70 CEIDRO CC(C)[C@H]([NH3+])CNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000216997408 280208852 /nfs/dbraw/zinc/20/88/52/280208852.db2.gz UHFRHCIBUTYFBT-DMTLFAOVSA-N 1 0 266.772 2.453 20 70 CEIDRO CN(C(=O)[C@H]1CCCc2sccc21)[C@@H](C[NH3+])C1CC1 ZINC000159842266 281857942 /nfs/dbraw/zinc/85/79/42/281857942.db2.gz BVTYEQDRZNJGCI-STQMWFEESA-N 1 0 278.421 2.364 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)O)CCCO2 ZINC000160593453 295270726 /nfs/dbraw/zinc/27/07/26/295270726.db2.gz HNYYLKXVPRRSSG-ZDUSSCGKSA-N 1 0 265.353 2.269 20 70 CEIDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000159717276 297430141 /nfs/dbraw/zinc/43/01/41/297430141.db2.gz KEOUZIHOYHZNQV-LBPRGKRZSA-N 1 0 252.402 2.412 20 70 CEIDRO CC(C)[NH+](CCNC(=O)[C@@H](C)C1CCOCC1)C(C)C ZINC000160361085 297435923 /nfs/dbraw/zinc/43/59/23/297435923.db2.gz LQEWKXTWQBYYAC-AWEZNQCLSA-N 1 0 284.444 2.284 20 70 CEIDRO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1(CC)CC ZINC000161294140 297443543 /nfs/dbraw/zinc/44/35/43/297443543.db2.gz XBJIEXZJYRQABK-KBPBESRZSA-N 1 0 297.443 2.103 20 70 CEIDRO O[C@@H](C1CC[NH+](C[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC000161314533 297443634 /nfs/dbraw/zinc/44/36/34/297443634.db2.gz UGPMSRACFHZEMR-RYUDHWBXSA-N 1 0 281.318 2.191 20 70 CEIDRO COc1cc(C)c(C[NH+]2CCC(C)(O)CC2)cc1OC ZINC000160836344 522192259 /nfs/dbraw/zinc/19/22/59/522192259.db2.gz RKUWNTJDHZEZEN-UHFFFAOYSA-N 1 0 279.380 2.359 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000160765771 522503359 /nfs/dbraw/zinc/50/33/59/522503359.db2.gz QVWPZWMMDGQBHC-JTQLQIEISA-N 1 0 293.417 2.306 20 70 CEIDRO COCC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000160816822 522791265 /nfs/dbraw/zinc/79/12/65/522791265.db2.gz RKQKRRPDMYOFKU-CYBMUJFWSA-N 1 0 282.428 2.134 20 70 CEIDRO COCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000160914283 522796794 /nfs/dbraw/zinc/79/67/94/522796794.db2.gz OWKMGXNYOCNQMJ-DZGCQCFKSA-N 1 0 294.439 2.134 20 70 CEIDRO CCc1cc(C)c(C(=O)N2CC[C@H](C[NH+](C)C)C2)o1 ZINC000160369179 523782906 /nfs/dbraw/zinc/78/29/06/523782906.db2.gz FNWLACCWPWLQAI-GFCCVEGCSA-N 1 0 264.369 2.174 20 70 CEIDRO COc1ncccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160801906 525049833 /nfs/dbraw/zinc/04/98/33/525049833.db2.gz DLRFPGDVJLPXHT-ZBFHGGJFSA-N 1 0 276.380 2.217 20 70 CEIDRO C[C@H]([NH2+]C1CCOCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000161346598 525297817 /nfs/dbraw/zinc/29/78/17/525297817.db2.gz MNBVSAGGYGHNHH-NSHDSACASA-N 1 0 274.364 2.401 20 70 CEIDRO COc1cccc(CCC[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1 ZINC000160527284 525885111 /nfs/dbraw/zinc/88/51/11/525885111.db2.gz JERPNCBHMLJENW-DZGCQCFKSA-N 1 0 290.407 2.214 20 70 CEIDRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161195381 526084578 /nfs/dbraw/zinc/08/45/78/526084578.db2.gz SITWYZKQMYFQCR-AWEZNQCLSA-N 1 0 290.407 2.053 20 70 CEIDRO O=C(NCC[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000160686708 526335538 /nfs/dbraw/zinc/33/55/38/526335538.db2.gz PXIFAHIBRDRMQB-UHFFFAOYSA-N 1 0 258.365 2.180 20 70 CEIDRO O=C(c1ccc2c(c1)CCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160702281 526722691 /nfs/dbraw/zinc/72/26/91/526722691.db2.gz DWOXQKGDXBTJPG-IYBDPMFKSA-N 1 0 270.376 2.142 20 70 CEIDRO Cc1nccn1CCCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000161468689 527399166 /nfs/dbraw/zinc/39/91/66/527399166.db2.gz XOSJOOVBBGGPEU-ZDUSSCGKSA-N 1 0 265.401 2.471 20 70 CEIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000160068999 539278481 /nfs/dbraw/zinc/27/84/81/539278481.db2.gz YAXFDUXJIXJBDD-MRXNPFEDSA-N 1 0 261.365 2.271 20 70 CEIDRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000159456001 344454895 /nfs/dbraw/zinc/45/48/95/344454895.db2.gz VDGCVKGADNMYOA-NEPJUHHUSA-N 1 0 296.440 2.235 20 70 CEIDRO CC(C)[C@H](CNC(=O)CCC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000160049081 344456771 /nfs/dbraw/zinc/45/67/71/344456771.db2.gz QOEWNNRSBXIJSR-HNNXBMFYSA-N 1 0 297.487 2.201 20 70 CEIDRO CCSCC[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160217022 344457540 /nfs/dbraw/zinc/45/75/40/344457540.db2.gz RAILPTOSGLNRSS-MWLCHTKSSA-N 1 0 298.374 2.176 20 70 CEIDRO CCSCC[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160217192 344457779 /nfs/dbraw/zinc/45/77/79/344457779.db2.gz RAILPTOSGLNRSS-GXSJLCMTSA-N 1 0 298.374 2.176 20 70 CEIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000160623046 344460132 /nfs/dbraw/zinc/46/01/32/344460132.db2.gz NYPFJSIHPMNOCU-AWEZNQCLSA-N 1 0 265.401 2.056 20 70 CEIDRO CC1(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CCC1 ZINC000160830736 344462117 /nfs/dbraw/zinc/46/21/17/344462117.db2.gz CPEQSOJKIWHLAR-AWEZNQCLSA-N 1 0 258.365 2.180 20 70 CEIDRO C[C@H]([NH3+])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160121709 232249568 /nfs/dbraw/zinc/24/95/68/232249568.db2.gz AYLHGABHXBZMRK-ZDUSSCGKSA-N 1 0 262.397 2.499 20 70 CEIDRO COc1cc(NC(=O)C2(C[NH3+])CCCC2)ccc1F ZINC000160225208 188461191 /nfs/dbraw/zinc/46/11/91/188461191.db2.gz OCXGWDCJSPAPRO-UHFFFAOYSA-N 1 0 266.316 2.292 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000160266184 188462533 /nfs/dbraw/zinc/46/25/33/188462533.db2.gz YCASBLOEVYXNPM-MRXNPFEDSA-N 1 0 281.359 2.312 20 70 CEIDRO COc1ccc(C(=O)NCC(C)(C)[NH3+])c2ccccc12 ZINC000160017566 188450984 /nfs/dbraw/zinc/45/09/84/188450984.db2.gz MNFMMGMUACFENE-UHFFFAOYSA-N 1 0 272.348 2.316 20 70 CEIDRO CC[NH2+]CCNCc1ccc(C)cc1Br ZINC000161292208 188520036 /nfs/dbraw/zinc/52/00/36/188520036.db2.gz KIZLBHIOJWXYRG-UHFFFAOYSA-N 1 0 271.202 2.457 20 70 CEIDRO CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H](C[NH3+])C1CC1 ZINC000159830568 540103800 /nfs/dbraw/zinc/10/38/00/540103800.db2.gz USTBPQKZUFRFDA-INIZCTEOSA-N 1 0 285.391 2.296 20 70 CEIDRO CCCn1nccc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000159975773 540108978 /nfs/dbraw/zinc/10/89/78/540108978.db2.gz YGWYUFPDNPYWJE-CQSZACIVSA-N 1 0 276.384 2.279 20 70 CEIDRO C[C@@H]([NH3+])CNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000160682438 540120390 /nfs/dbraw/zinc/12/03/90/540120390.db2.gz VGFMYLWHRWENIJ-SSDOTTSWSA-N 1 0 277.246 2.054 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC000161060491 540132289 /nfs/dbraw/zinc/13/22/89/540132289.db2.gz RJTDRORBWHDXDD-UONOGXRCSA-N 1 0 288.391 2.475 20 70 CEIDRO [NH3+]C1(CC(=O)N[C@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000161070263 540132493 /nfs/dbraw/zinc/13/24/93/540132493.db2.gz QNWVMDBPTZUAQZ-STQMWFEESA-N 1 0 250.386 2.343 20 70 CEIDRO C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)CO1 ZINC000161089758 540132813 /nfs/dbraw/zinc/13/28/13/540132813.db2.gz MMXYKYVCFNRXCI-HIFRSBDPSA-N 1 0 288.391 2.247 20 70 CEIDRO Cc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161123864 540133406 /nfs/dbraw/zinc/13/34/06/540133406.db2.gz NEWQCWZHLNMTCQ-HUUCEWRRSA-N 1 0 260.381 2.314 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC000161167944 540134171 /nfs/dbraw/zinc/13/41/71/540134171.db2.gz RPFILJAMVZHMRN-WDEREUQCSA-N 1 0 282.771 2.105 20 70 CEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000161345330 540137143 /nfs/dbraw/zinc/13/71/43/540137143.db2.gz XZQYMTPQXPMZBS-IMJJTQAJSA-N 1 0 274.408 2.478 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC000161381144 540137499 /nfs/dbraw/zinc/13/74/99/540137499.db2.gz HZTZZSQVQPWIAQ-UONOGXRCSA-N 1 0 276.380 2.232 20 70 CEIDRO Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000161457888 540138193 /nfs/dbraw/zinc/13/81/93/540138193.db2.gz MXLZNNBCYLCQFX-NXEZZACHSA-N 1 0 268.307 2.273 20 70 CEIDRO CCCC[N@H+](C)CCNC(=O)C[C@H](C)c1ccncc1 ZINC000160319578 540597056 /nfs/dbraw/zinc/59/70/56/540597056.db2.gz KPLZUEISIQOLGQ-AWEZNQCLSA-N 1 0 277.412 2.423 20 70 CEIDRO CC[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161091522 540718713 /nfs/dbraw/zinc/71/87/13/540718713.db2.gz CYPWFFQKPDOOQF-UHFFFAOYSA-N 1 0 269.410 2.333 20 70 CEIDRO COCC(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000159711298 366941882 /nfs/dbraw/zinc/94/18/82/366941882.db2.gz SSICQIORHNJXAR-CYBMUJFWSA-N 1 0 270.417 2.040 20 70 CEIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cc[nH]n1 ZINC000159382270 366907007 /nfs/dbraw/zinc/90/70/07/366907007.db2.gz SRDCOYOIBQTRIQ-UHFFFAOYSA-N 1 0 272.396 2.410 20 70 CEIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCO2 ZINC000159476876 366918026 /nfs/dbraw/zinc/91/80/26/366918026.db2.gz PNFLDHLYSLPVPD-LBPRGKRZSA-N 1 0 290.363 2.078 20 70 CEIDRO CC[C@@H](O)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000159568784 366927245 /nfs/dbraw/zinc/92/72/45/366927245.db2.gz YAPJARDXISNTDH-HUUCEWRRSA-N 1 0 263.381 2.303 20 70 CEIDRO CCC[C@H]1CN(C(=O)NCCC(C)C)CC[N@@H+]1CCOC ZINC000159657959 366937719 /nfs/dbraw/zinc/93/77/19/366937719.db2.gz JNMPKZMHUSRWSQ-HNNXBMFYSA-N 1 0 299.459 2.175 20 70 CEIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000159792275 366949709 /nfs/dbraw/zinc/94/97/09/366949709.db2.gz YCYJBYHRYJLWMU-LBPRGKRZSA-N 1 0 292.427 2.073 20 70 CEIDRO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159790752 366950148 /nfs/dbraw/zinc/95/01/48/366950148.db2.gz JWJNYWWKAFKBJA-SMDDNHRTSA-N 1 0 276.380 2.490 20 70 CEIDRO Cc1ccc(CC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1C ZINC000159819148 366951096 /nfs/dbraw/zinc/95/10/96/366951096.db2.gz YKBRBWCUPWLUPG-OAHLLOKOSA-N 1 0 260.381 2.042 20 70 CEIDRO CN(C)c1cccc(C[N@H+](C)CCOC[C@@H]2CCCO2)c1 ZINC000159870922 366956320 /nfs/dbraw/zinc/95/63/20/366956320.db2.gz NABMMYJTFFXSIS-KRWDZBQOSA-N 1 0 292.423 2.380 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(C)cc2)CC1 ZINC000159870026 366956619 /nfs/dbraw/zinc/95/66/19/366956619.db2.gz LJWVTDWLCBXOFL-UHFFFAOYSA-N 1 0 289.423 2.275 20 70 CEIDRO C[N@H+](CCNc1ccncc1Br)C1CC1 ZINC000159842520 366953796 /nfs/dbraw/zinc/95/37/96/366953796.db2.gz FZWAHAAHQYHFES-UHFFFAOYSA-N 1 0 270.174 2.350 20 70 CEIDRO C[N@H+](C[C@@H](O)c1ccc(F)cc1)CC1(O)CCCC1 ZINC000159859016 366955060 /nfs/dbraw/zinc/95/50/60/366955060.db2.gz XAVYUFNBKRYKHX-CQSZACIVSA-N 1 0 267.344 2.096 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(F)c1 ZINC000160011402 366965618 /nfs/dbraw/zinc/96/56/18/366965618.db2.gz YNFQPECWEZKYMW-IOASZLSFSA-N 1 0 292.354 2.297 20 70 CEIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000160102945 366972673 /nfs/dbraw/zinc/97/26/73/366972673.db2.gz DCZKHTHUKHIUKJ-NVXWUHKLSA-N 1 0 272.392 2.319 20 70 CEIDRO CCn1nccc1C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000160103964 366973035 /nfs/dbraw/zinc/97/30/35/366973035.db2.gz YJNGUVDZAWIMTI-HNNXBMFYSA-N 1 0 259.353 2.035 20 70 CEIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000160114803 366974792 /nfs/dbraw/zinc/97/47/92/366974792.db2.gz CWXOYTGGCPBQKK-OAHLLOKOSA-N 1 0 290.455 2.370 20 70 CEIDRO Cc1cc(C)cc(-c2nnc(NC(=O)C(C)(C)[NH3+])s2)c1 ZINC000160115728 366974810 /nfs/dbraw/zinc/97/48/10/366974810.db2.gz URYWCWYBFQLJTK-UHFFFAOYSA-N 1 0 290.392 2.498 20 70 CEIDRO CCCCc1ccc(CC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160107597 366975683 /nfs/dbraw/zinc/97/56/83/366975683.db2.gz GRXSKQUXHFIVPK-UHFFFAOYSA-N 1 0 262.397 2.425 20 70 CEIDRO Cc1cccc(-c2nc(CC(=O)NCCC[NH3+])cs2)c1 ZINC000160163889 366978419 /nfs/dbraw/zinc/97/84/19/366978419.db2.gz UFJMIWBMFJEVQD-UHFFFAOYSA-N 1 0 289.404 2.126 20 70 CEIDRO C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CN1C1CC1 ZINC000160071745 366970729 /nfs/dbraw/zinc/97/07/29/366970729.db2.gz HNVZVOONFBCDOE-KYOSRNDESA-N 1 0 280.437 2.170 20 70 CEIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cncc(F)c1 ZINC000160597083 367021038 /nfs/dbraw/zinc/02/10/38/367021038.db2.gz UYCOICSSWHECDS-GYSYKLTISA-N 1 0 252.333 2.422 20 70 CEIDRO Cc1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000160646038 367023779 /nfs/dbraw/zinc/02/37/79/367023779.db2.gz MBACLEKVPXGVGH-UHFFFAOYSA-N 1 0 283.375 2.382 20 70 CEIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N2CCCCCC2)C1 ZINC000160650633 367023800 /nfs/dbraw/zinc/02/38/00/367023800.db2.gz QPLCTMKGSBNPEX-CYBMUJFWSA-N 1 0 253.390 2.008 20 70 CEIDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC000160454329 367008566 /nfs/dbraw/zinc/00/85/66/367008566.db2.gz PVPBHNNKDFNGJF-CYBMUJFWSA-N 1 0 264.369 2.438 20 70 CEIDRO CN(CC[NH+]1CCCC1)C(=O)N1CCCCCC1 ZINC000160562066 367016405 /nfs/dbraw/zinc/01/64/05/367016405.db2.gz RZUMAUHHHAZHFJ-UHFFFAOYSA-N 1 0 253.390 2.010 20 70 CEIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160553894 367016684 /nfs/dbraw/zinc/01/66/84/367016684.db2.gz ZOKOGDDEBUTXTM-ZACQAIPSSA-N 1 0 277.408 2.385 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1 ZINC000160789369 367034174 /nfs/dbraw/zinc/03/41/74/367034174.db2.gz NURCXVZKEAKUHU-AWEZNQCLSA-N 1 0 297.358 2.308 20 70 CEIDRO COc1ccc2c(c1)[C@@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160915922 367042339 /nfs/dbraw/zinc/04/23/39/367042339.db2.gz PYRZWRXWHXJOAL-AWEZNQCLSA-N 1 0 292.379 2.023 20 70 CEIDRO CCc1ccc(CN2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000161019279 367049751 /nfs/dbraw/zinc/04/97/51/367049751.db2.gz RFFDEVSSZWLLEA-HZPDHXFCSA-N 1 0 262.397 2.187 20 70 CEIDRO CC(C)(CNC(=O)[C@@H]1CSCN1)Cc1ccccc1 ZINC000161075080 367053638 /nfs/dbraw/zinc/05/36/38/367053638.db2.gz XXAAIFJYQMGIQY-ZDUSSCGKSA-N 1 0 278.421 2.034 20 70 CEIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)C[NH2+]C ZINC000161106847 367058227 /nfs/dbraw/zinc/05/82/27/367058227.db2.gz PUHHVJROFALPLI-UKRRQHHQSA-N 1 0 262.397 2.322 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCN1CC ZINC000161203434 367068693 /nfs/dbraw/zinc/06/86/93/367068693.db2.gz YOWGROPYTHTHOZ-GJZGRUSLSA-N 1 0 283.460 2.097 20 70 CEIDRO CCC[N@H+](CCO)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000161229835 367070159 /nfs/dbraw/zinc/07/01/59/367070159.db2.gz GEOGWHMMQAHNEO-UHFFFAOYSA-N 1 0 297.395 2.307 20 70 CEIDRO Cc1cnn(-c2ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc2F)c1 ZINC000161233426 367070358 /nfs/dbraw/zinc/07/03/58/367070358.db2.gz RJKRVRQTLNJUIT-AWEZNQCLSA-N 1 0 290.342 2.242 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC000161244913 367071664 /nfs/dbraw/zinc/07/16/64/367071664.db2.gz KHEKOVTYUOSAEA-LBPRGKRZSA-N 1 0 296.386 2.474 20 70 CEIDRO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCOC1 ZINC000160769871 367032881 /nfs/dbraw/zinc/03/28/81/367032881.db2.gz JRQNDXJGSOPURQ-CHWSQXEVSA-N 1 0 261.321 2.187 20 70 CEIDRO [NH3+][C@H]1CC[C@H](C(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000161449775 367088056 /nfs/dbraw/zinc/08/80/56/367088056.db2.gz HJELUOUCCQNPSK-STQMWFEESA-N 1 0 282.453 2.392 20 70 CEIDRO Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1F ZINC000161448433 367088099 /nfs/dbraw/zinc/08/80/99/367088099.db2.gz HADLBOZGFBLLLR-UHFFFAOYSA-N 1 0 264.344 2.300 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnc2c(c1)c(C)nn2C ZINC000217392876 370195295 /nfs/dbraw/zinc/19/52/95/370195295.db2.gz LDDLXWPKTNOOQY-GFCCVEGCSA-N 1 0 289.427 2.097 20 70 CEIDRO CCC[N@H+](CC)CCNCc1cc(OC)c(O)c(OC)c1 ZINC000217719009 370200510 /nfs/dbraw/zinc/20/05/10/370200510.db2.gz BFPIFLVXLJENFK-UHFFFAOYSA-N 1 0 296.411 2.231 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1ccccc1OC(F)F ZINC000217859711 370201092 /nfs/dbraw/zinc/20/10/92/370201092.db2.gz QWWWBPUVKIZWOR-CYBMUJFWSA-N 1 0 291.363 2.492 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000159567579 395058046 /nfs/dbraw/zinc/05/80/46/395058046.db2.gz SCOWZOYMUOCYTR-MRXNPFEDSA-N 1 0 287.407 2.411 20 70 CEIDRO CC1(C)C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000160345586 395060585 /nfs/dbraw/zinc/06/05/85/395060585.db2.gz CESLDVMGHDIKMU-YPMHNXCESA-N 1 0 274.364 2.015 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000161046564 400283849 /nfs/dbraw/zinc/28/38/49/400283849.db2.gz IERQDIZGOLEQPV-CWSCBRNRSA-N 1 0 250.317 2.082 20 70 CEIDRO COc1cccc(F)c1[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000161053841 400284378 /nfs/dbraw/zinc/28/43/78/400284378.db2.gz ROFQOPSSNYTJFL-QWRGUYRKSA-N 1 0 280.343 2.154 20 70 CEIDRO CC[C@](C)(C[NH3+])c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000217092804 153298662 /nfs/dbraw/zinc/29/86/62/153298662.db2.gz SGPSQMXMRNKZBF-OAHLLOKOSA-N 1 0 291.351 2.380 20 70 CEIDRO C[C@@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161071250 286907113 /nfs/dbraw/zinc/90/71/13/286907113.db2.gz NYRWERTYIDLLJC-SECBINFHSA-N 1 0 250.346 2.133 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707686 162312439 /nfs/dbraw/zinc/31/24/39/162312439.db2.gz AABYPEOIWOQRQW-GXTWGEPZSA-N 1 0 298.390 2.163 20 70 CEIDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1-n1cccn1 ZINC000159787538 162312656 /nfs/dbraw/zinc/31/26/56/162312656.db2.gz PPNYIJAZMGTNEJ-CZUORRHYSA-N 1 0 298.390 2.144 20 70 CEIDRO COC1(C(=O)N[C@@H](C)CCC(C)(C)C)CC[NH2+]CC1 ZINC000159773435 162312705 /nfs/dbraw/zinc/31/27/05/162312705.db2.gz KXMBAXDWBZAZPJ-LBPRGKRZSA-N 1 0 270.417 2.086 20 70 CEIDRO COc1cc(OC)nc(NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000159776456 162314267 /nfs/dbraw/zinc/31/42/67/162314267.db2.gz DSBFIFFECLCUMY-GFCCVEGCSA-N 1 0 294.399 2.028 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000159846316 162315835 /nfs/dbraw/zinc/31/58/35/162315835.db2.gz SJAPISDFYUFGEP-ZFWWWQNUSA-N 1 0 276.380 2.184 20 70 CEIDRO Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C[NH3+])s1 ZINC000160324941 162327993 /nfs/dbraw/zinc/32/79/93/162327993.db2.gz VFVGEGQVHBNSGY-IJLUTSLNSA-N 1 0 264.394 2.110 20 70 CEIDRO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160133608 261206307 /nfs/dbraw/zinc/20/63/07/261206307.db2.gz APCZUJATJHXKST-GXTWGEPZSA-N 1 0 278.371 2.215 20 70 CEIDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCn2ccnc2)C1 ZINC000159860237 276398784 /nfs/dbraw/zinc/39/87/84/276398784.db2.gz STUQEOMBIDKMRE-CHWSQXEVSA-N 1 0 253.415 2.489 20 70 CEIDRO CC(C)(C)C1CCC(C[N@@H+]2CCO[C@H](C(N)=O)C2)CC1 ZINC000159900480 278300557 /nfs/dbraw/zinc/30/05/57/278300557.db2.gz FJORLWJKHZVMNC-RUXDESIVSA-N 1 0 282.428 2.025 20 70 CEIDRO CC1(C)C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000160345957 278366668 /nfs/dbraw/zinc/36/66/68/278366668.db2.gz CESLDVMGHDIKMU-WCQYABFASA-N 1 0 274.364 2.015 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)on1 ZINC000159423538 297428843 /nfs/dbraw/zinc/42/88/43/297428843.db2.gz MRWVZVGAALWKSG-SDDRHHMPSA-N 1 0 277.368 2.155 20 70 CEIDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160122138 300325034 /nfs/dbraw/zinc/32/50/34/300325034.db2.gz UELCANDHBUBLOA-IGRMKNIWSA-N 1 0 276.424 2.173 20 70 CEIDRO C[C@@H](CNC(=O)NCC1(C2CC2)CC1)C[NH+]1CCCC1 ZINC000159664559 312632895 /nfs/dbraw/zinc/63/28/95/312632895.db2.gz CGIFVSOKBFJGCX-ZDUSSCGKSA-N 1 0 279.428 2.208 20 70 CEIDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000160833919 519807171 /nfs/dbraw/zinc/80/71/71/519807171.db2.gz WEMXNKMNPOCRQJ-DOMZBBRYSA-N 1 0 290.398 2.367 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)COC2CCCCC2)CC1 ZINC000160379262 519848386 /nfs/dbraw/zinc/84/83/86/519848386.db2.gz AVGWVKDCYLTQFE-UHFFFAOYSA-N 1 0 282.428 2.280 20 70 CEIDRO CCCCn1ncc(C(=O)NC[C@H](C)[NH+](CC)CC)c1C ZINC000161426532 521399450 /nfs/dbraw/zinc/39/94/50/521399450.db2.gz FBNFFEFRRKKSRE-ZDUSSCGKSA-N 1 0 294.443 2.452 20 70 CEIDRO CC[C@H](C)[NH+]1CCN(C(=O)NC2CCCC2)CC1 ZINC000160516663 523950329 /nfs/dbraw/zinc/95/03/29/523950329.db2.gz ABHRHFCDJDPMRZ-LBPRGKRZSA-N 1 0 253.390 2.055 20 70 CEIDRO C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000159392785 524229363 /nfs/dbraw/zinc/22/93/63/524229363.db2.gz YUUJUMPQPDVCNU-QUEVPRLRSA-N 1 0 294.439 2.322 20 70 CEIDRO C[C@@H](Sc1ccccn1)C(=O)NCC[NH2+]C(C)(C)C ZINC000161021443 525996388 /nfs/dbraw/zinc/99/63/88/525996388.db2.gz AOIZZDAHQLFWGE-LLVKDONJSA-N 1 0 281.425 2.067 20 70 CEIDRO CCN(C(=O)C[NH+]1CCC(C)(O)CC1)C1CCCCC1 ZINC000161228372 535662160 /nfs/dbraw/zinc/66/21/60/535662160.db2.gz IDSBMEBOLKZXBG-UHFFFAOYSA-N 1 0 282.428 2.014 20 70 CEIDRO C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccncc1 ZINC000159916870 539278376 /nfs/dbraw/zinc/27/83/76/539278376.db2.gz RWGUBSDWRBJXLM-STQMWFEESA-N 1 0 275.396 2.174 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000160242067 344457784 /nfs/dbraw/zinc/45/77/84/344457784.db2.gz HIPHJTMJISYJKO-LLVKDONJSA-N 1 0 287.787 2.094 20 70 CEIDRO Cn1cnnc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000160715400 344460772 /nfs/dbraw/zinc/46/07/72/344460772.db2.gz HVDFAACCUKYVJQ-UHFFFAOYSA-N 1 0 260.316 2.119 20 70 CEIDRO CC(C)CCSCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160833707 344461669 /nfs/dbraw/zinc/46/16/69/344461669.db2.gz AEYHXUYWNUXRSO-NWDGAFQWSA-N 1 0 258.431 2.152 20 70 CEIDRO CSCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161509697 344464296 /nfs/dbraw/zinc/46/42/96/344464296.db2.gz RQWGTROJSOPKHE-UHFFFAOYSA-N 1 0 287.473 2.113 20 70 CEIDRO CCn1c(C)cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161345851 232254562 /nfs/dbraw/zinc/25/45/62/232254562.db2.gz WZOABLGYPAKYAI-STQMWFEESA-N 1 0 263.385 2.125 20 70 CEIDRO CC[NH+]1CCC(CCNC(=O)c2ccnn2C(C)C)CC1 ZINC000160872186 188495730 /nfs/dbraw/zinc/49/57/30/188495730.db2.gz WSUINFBQIGXJGR-UHFFFAOYSA-N 1 0 292.427 2.316 20 70 CEIDRO CC[C@@H](C(=O)N[C@@H](C)Cc1ccccc1F)[NH+](C)C ZINC000161128508 188509634 /nfs/dbraw/zinc/50/96/34/188509634.db2.gz HVPNNDOJIWGBKY-FZMZJTMJSA-N 1 0 266.360 2.213 20 70 CEIDRO CCn1c(C)cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000161345734 188522375 /nfs/dbraw/zinc/52/23/75/188522375.db2.gz WZOABLGYPAKYAI-QWHCGFSZSA-N 1 0 263.385 2.125 20 70 CEIDRO [NH3+]C1(CC(=O)NC2(c3cccc(F)c3)CC2)CCC1 ZINC000160525381 540117784 /nfs/dbraw/zinc/11/77/84/540117784.db2.gz SNKUNAICFTVYKV-UHFFFAOYSA-N 1 0 262.328 2.203 20 70 CEIDRO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000160819113 540124472 /nfs/dbraw/zinc/12/44/72/540124472.db2.gz UJYDALRWDSIDIV-KBPBESRZSA-N 1 0 278.371 2.489 20 70 CEIDRO Cc1ccc(OCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000160865353 540125767 /nfs/dbraw/zinc/12/57/67/540125767.db2.gz SMDDZDZURAQZJG-GJZGRUSLSA-N 1 0 290.407 2.458 20 70 CEIDRO CCc1ccsc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161292020 540136468 /nfs/dbraw/zinc/13/64/68/540136468.db2.gz QRUIAFHHPZXVCC-GHMZBOCLSA-N 1 0 252.383 2.310 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccc(Cl)cc2)C1 ZINC000161396959 540137690 /nfs/dbraw/zinc/13/76/90/540137690.db2.gz RAYWWYWZRYMXFV-NWDGAFQWSA-N 1 0 282.771 2.105 20 70 CEIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2(C)COC2)cc1 ZINC000159505004 540413181 /nfs/dbraw/zinc/41/31/81/540413181.db2.gz PQLRSANSEDLBNF-LBPRGKRZSA-N 1 0 297.420 2.167 20 70 CEIDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CO)o1 ZINC000217936350 540451050 /nfs/dbraw/zinc/45/10/50/540451050.db2.gz ZSKKWRPHHDBXBI-TZMCWYRMSA-N 1 0 294.395 2.012 20 70 CEIDRO COCc1nc(C[NH2+][C@@H]2CCOC(C)(C)C2)cs1 ZINC000160502281 540615448 /nfs/dbraw/zinc/61/54/48/540615448.db2.gz ISAWHRJPDLJRRX-SNVBAGLBSA-N 1 0 270.398 2.337 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161069267 283859100 /nfs/dbraw/zinc/85/91/00/283859100.db2.gz UPJPWZCYITYGFL-IHRRRGAJSA-N 1 0 250.386 2.214 20 70 CEIDRO CCC(CC)(C[NH2+]Cc1ncc(Cl)n1C)C(=O)OC ZINC000159675253 366939379 /nfs/dbraw/zinc/93/93/79/366939379.db2.gz LLTLVSLXMMHPDZ-UHFFFAOYSA-N 1 0 287.791 2.143 20 70 CEIDRO O=C1C[C@@H]([NH2+]CCc2cccc3cccnc32)CCCN1 ZINC000159361111 366905885 /nfs/dbraw/zinc/90/58/85/366905885.db2.gz ORADXIJMFPHHQO-HNNXBMFYSA-N 1 0 283.375 2.036 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000159402919 366908847 /nfs/dbraw/zinc/90/88/47/366908847.db2.gz MFGLNJZNBOSZBI-MRXNPFEDSA-N 1 0 294.464 2.185 20 70 CEIDRO COC[C@H]([NH3+])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000159414063 366909700 /nfs/dbraw/zinc/90/97/00/366909700.db2.gz JBJIRIRGZCFDPX-LBPRGKRZSA-N 1 0 291.376 2.031 20 70 CEIDRO CCc1ccc([C@@H](C)[NH2+]CCN(C)CCOC)o1 ZINC000159431829 366911752 /nfs/dbraw/zinc/91/17/52/366911752.db2.gz NTFVFTZRNHXVLX-GFCCVEGCSA-N 1 0 254.374 2.071 20 70 CEIDRO CSc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O)cc1 ZINC000159429252 366911803 /nfs/dbraw/zinc/91/18/03/366911803.db2.gz MOGXZAKIJPQEFN-QWRGUYRKSA-N 1 0 282.409 2.048 20 70 CEIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159438659 366913242 /nfs/dbraw/zinc/91/32/42/366913242.db2.gz NHIJTKXWQFGDJI-BXKDBHETSA-N 1 0 266.389 2.310 20 70 CEIDRO CCO[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159478240 366917508 /nfs/dbraw/zinc/91/75/08/366917508.db2.gz AEHFCDSUZXRRNK-OWCLPIDISA-N 1 0 288.391 2.117 20 70 CEIDRO Oc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159476046 366917663 /nfs/dbraw/zinc/91/76/63/366917663.db2.gz PGFIMIODQMIPNV-KKUMJFAQSA-N 1 0 259.349 2.439 20 70 CEIDRO COc1ccc(CC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159493064 366919974 /nfs/dbraw/zinc/91/99/74/366919974.db2.gz YWEMQHSGMXEEGA-UHFFFAOYSA-N 1 0 276.380 2.016 20 70 CEIDRO CC(=O)c1cnc(NC(=O)CCCCCC[NH3+])s1 ZINC000159505070 366920584 /nfs/dbraw/zinc/92/05/84/366920584.db2.gz NUNNZWJBVIEXHC-UHFFFAOYSA-N 1 0 269.370 2.193 20 70 CEIDRO [NH3+]CCCC(=O)NCCCCCOC1CCCCC1 ZINC000159534754 366923855 /nfs/dbraw/zinc/92/38/55/366923855.db2.gz KWPSIBCRFIKQTC-UHFFFAOYSA-N 1 0 270.417 2.361 20 70 CEIDRO CCC[C@@H](O)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000159558970 366925210 /nfs/dbraw/zinc/92/52/10/366925210.db2.gz WSFJUEDVLMSVST-HUUCEWRRSA-N 1 0 263.381 2.303 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cccc(F)c2)CC1 ZINC000159557840 366925515 /nfs/dbraw/zinc/92/55/15/366925515.db2.gz UHOCRLUQMPETAM-UHFFFAOYSA-N 1 0 293.386 2.105 20 70 CEIDRO C[C@@H](CNc1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000159579108 366928349 /nfs/dbraw/zinc/92/83/49/366928349.db2.gz NUWZOVNIGOOIGY-HNNXBMFYSA-N 1 0 289.423 2.335 20 70 CEIDRO CC(C)[C@@H](C(=O)N[C@@H](C)CNc1ccccc1)[NH+](C)C ZINC000159585075 366929464 /nfs/dbraw/zinc/92/94/64/366929464.db2.gz BYKXEFUOEGZKAW-ZFWWWQNUSA-N 1 0 277.412 2.189 20 70 CEIDRO Cc1cccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1C ZINC000159583731 366930090 /nfs/dbraw/zinc/93/00/90/366930090.db2.gz XXVVONFOGGJDBR-SWLSCSKDSA-N 1 0 260.381 2.389 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000159600567 366931421 /nfs/dbraw/zinc/93/14/21/366931421.db2.gz NDZIKFJLCWITNF-IUODEOHRSA-N 1 0 286.375 2.048 20 70 CEIDRO CS[C@@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000159644251 366935315 /nfs/dbraw/zinc/93/53/15/366935315.db2.gz RMLSHBGGQDMXBO-RYUDHWBXSA-N 1 0 275.462 2.013 20 70 CEIDRO CC(C)(NC(=O)[C@]1(F)CC[NH2+]C1)c1cccc(Cl)c1 ZINC000159648285 366935905 /nfs/dbraw/zinc/93/59/05/366935905.db2.gz RHKIJOURPZDJOG-AWEZNQCLSA-N 1 0 284.762 2.393 20 70 CEIDRO Cc1cccc(OCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159666260 366936811 /nfs/dbraw/zinc/93/68/11/366936811.db2.gz FBZXVEWUJJIITI-HOCLYGCPSA-N 1 0 263.381 2.467 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1F ZINC000159685097 366938460 /nfs/dbraw/zinc/93/84/60/366938460.db2.gz IDPYAAWJMGTGCS-AAEUAGOBSA-N 1 0 264.344 2.220 20 70 CEIDRO COc1ccc(OC)c(CSCCN2CCOCC2)c1 ZINC000159975125 366962263 /nfs/dbraw/zinc/96/22/63/366962263.db2.gz MAVRWTJNINRKCH-UHFFFAOYSA-N 1 0 297.420 2.269 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1csc(Cc2ccccc2)n1 ZINC000159963850 366962405 /nfs/dbraw/zinc/96/24/05/366962405.db2.gz NZEGNJYBHBDSNI-UHFFFAOYSA-N 1 0 289.404 2.201 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc(F)c1 ZINC000160011145 366966098 /nfs/dbraw/zinc/96/60/98/366966098.db2.gz YNFQPECWEZKYMW-ZENOOKHLSA-N 1 0 292.354 2.297 20 70 CEIDRO CCc1cccc(C)c1NC(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160027475 366967174 /nfs/dbraw/zinc/96/71/74/366967174.db2.gz JNAGAOBFLLVYDY-OAHLLOKOSA-N 1 0 289.423 2.165 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cnc(C)nc1C ZINC000160085846 366971662 /nfs/dbraw/zinc/97/16/62/366971662.db2.gz VSZNDAQQDQNPAW-RYUDHWBXSA-N 1 0 264.417 2.474 20 70 CEIDRO CC[C@H](COC)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160100378 366972787 /nfs/dbraw/zinc/97/27/87/366972787.db2.gz LXHGJCJJYKRNFX-CYBMUJFWSA-N 1 0 252.358 2.383 20 70 CEIDRO C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])c1ccc(Cl)s1 ZINC000160184642 366980818 /nfs/dbraw/zinc/98/08/18/366980818.db2.gz VHSWZBMBOBIBCY-DTWKUNHWSA-N 1 0 272.801 2.455 20 70 CEIDRO COc1cc(CCNC(=O)CC[NH2+]C(C)C)ccc1C ZINC000160320269 366994530 /nfs/dbraw/zinc/99/45/30/366994530.db2.gz ZIHBGLYTOIRLNS-UHFFFAOYSA-N 1 0 278.396 2.050 20 70 CEIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000160603731 367022805 /nfs/dbraw/zinc/02/28/05/367022805.db2.gz OFGGJDSDNOOMAP-AWEZNQCLSA-N 1 0 286.379 2.315 20 70 CEIDRO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000160396496 367002480 /nfs/dbraw/zinc/00/24/80/367002480.db2.gz XDOMXBZKHLHOEB-GJZGRUSLSA-N 1 0 290.382 2.216 20 70 CEIDRO [NH3+][C@@H]1CC[C@H](C(=O)NC2(c3cccc(F)c3)CC2)C1 ZINC000160524181 367014216 /nfs/dbraw/zinc/01/42/16/367014216.db2.gz ZNKBZHMLVSLQDZ-GXFFZTMASA-N 1 0 262.328 2.058 20 70 CEIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2(C)CCC2)C1 ZINC000160825578 367036247 /nfs/dbraw/zinc/03/62/47/367036247.db2.gz PWTOUCFHQYBWFF-ZDUSSCGKSA-N 1 0 267.417 2.349 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000160926749 367043557 /nfs/dbraw/zinc/04/35/57/367043557.db2.gz JHTFMDKADVNHNH-CYBMUJFWSA-N 1 0 280.343 2.154 20 70 CEIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc2c(c1)OCCO2 ZINC000160932109 367044111 /nfs/dbraw/zinc/04/41/11/367044111.db2.gz JQLRQCAANPZMKM-ZDUSSCGKSA-N 1 0 292.379 2.023 20 70 CEIDRO CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)[NH3+] ZINC000160921983 367044421 /nfs/dbraw/zinc/04/44/21/367044421.db2.gz FPMKWHGKTDUGPY-QMMMGPOBSA-N 1 0 256.733 2.413 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000160982797 367046926 /nfs/dbraw/zinc/04/69/26/367046926.db2.gz UWRQIZWQMHTTPK-NSHDSACASA-N 1 0 281.375 2.067 20 70 CEIDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(N)c1 ZINC000161001984 367048224 /nfs/dbraw/zinc/04/82/24/367048224.db2.gz UYNQAEBHILGPIY-ZDUSSCGKSA-N 1 0 277.368 2.090 20 70 CEIDRO CCO[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161088271 367055472 /nfs/dbraw/zinc/05/54/72/367055472.db2.gz DCUBBVDJFCXITC-INIZCTEOSA-N 1 0 290.407 2.389 20 70 CEIDRO CC(C)n1cccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000161139507 367061088 /nfs/dbraw/zinc/06/10/88/367061088.db2.gz HIXWAFVQYVVZLR-UHFFFAOYSA-N 1 0 265.401 2.387 20 70 CEIDRO CO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000161156286 367062018 /nfs/dbraw/zinc/06/20/18/367062018.db2.gz OPLJMXDWWUZPRF-UONOGXRCSA-N 1 0 286.778 2.417 20 70 CEIDRO Cc1ccc(NC(=O)CC[NH3+])cc1OCC1CCOCC1 ZINC000161373620 367081754 /nfs/dbraw/zinc/08/17/54/367081754.db2.gz XZKDOKFGSZWLGF-UHFFFAOYSA-N 1 0 292.379 2.088 20 70 CEIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000161183460 367065249 /nfs/dbraw/zinc/06/52/49/367065249.db2.gz KXDZHYDPJCFCRW-CQSZACIVSA-N 1 0 289.414 2.180 20 70 CEIDRO CC(=O)c1ccccc1OCC[NH+]1CCC(C)(O)CC1 ZINC000161217461 367068289 /nfs/dbraw/zinc/06/82/89/367068289.db2.gz XJCCULPPGOUTEW-UHFFFAOYSA-N 1 0 277.364 2.115 20 70 CEIDRO C[C@@H]([NH3+])C(=O)NC(c1cccs1)c1cccs1 ZINC000161299514 367076196 /nfs/dbraw/zinc/07/61/96/367076196.db2.gz SBDHUEDGKSTVRO-MRVPVSSYSA-N 1 0 266.391 2.362 20 70 CEIDRO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)C1CCCC1 ZINC000160706690 367028732 /nfs/dbraw/zinc/02/87/32/367028732.db2.gz ATQXHNRGHZWTNG-PLNCSYRRSA-N 1 0 294.439 2.214 20 70 CEIDRO [NH3+][C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000161399839 367083980 /nfs/dbraw/zinc/08/39/80/367083980.db2.gz FRFCGYQJDRBCFD-NSHDSACASA-N 1 0 288.269 2.052 20 70 CEIDRO COC(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)OC ZINC000161458935 367088175 /nfs/dbraw/zinc/08/81/75/367088175.db2.gz SZQWQAVSUPGGIH-NEPJUHHUSA-N 1 0 285.409 2.255 20 70 CEIDRO C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1c1cccc(F)c1 ZINC000161488277 367091202 /nfs/dbraw/zinc/09/12/02/367091202.db2.gz FTMIPEKABYJWKW-UXIGCNINSA-N 1 0 276.355 2.345 20 70 CEIDRO CCOc1cc(C[NH2+]C[C@@H](C)N(C)C2CC2)ccc1O ZINC000217608926 370199186 /nfs/dbraw/zinc/19/91/86/370199186.db2.gz ZBNCDUJHEDKQPE-GFCCVEGCSA-N 1 0 278.396 2.363 20 70 CEIDRO CNc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217860427 370201062 /nfs/dbraw/zinc/20/10/62/370201062.db2.gz OXAZVERLXLWSBP-GJZGRUSLSA-N 1 0 273.380 2.085 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(OC)c(O)c(OC)c1 ZINC000217886982 370202566 /nfs/dbraw/zinc/20/25/66/370202566.db2.gz OCSHICJFHGXSFT-GFCCVEGCSA-N 1 0 296.411 2.229 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000160230522 249318962 /nfs/dbraw/zinc/31/89/62/249318962.db2.gz IUXZFOAEAOTZAS-AWEZNQCLSA-N 1 0 284.444 2.166 20 70 CEIDRO CCCC(O)(CCC)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000160230650 249319020 /nfs/dbraw/zinc/31/90/20/249319020.db2.gz IUXZFOAEAOTZAS-CQSZACIVSA-N 1 0 284.444 2.166 20 70 CEIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1nccs1 ZINC000159584208 395058794 /nfs/dbraw/zinc/05/87/94/395058794.db2.gz VRWICJDQLVACDD-QWRGUYRKSA-N 1 0 265.382 2.346 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCc3occc32)CC1 ZINC000159662380 395059327 /nfs/dbraw/zinc/05/93/27/395059327.db2.gz JAJVLNHACQJTBE-AWEZNQCLSA-N 1 0 291.395 2.394 20 70 CEIDRO [NH3+]Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000160064197 395060350 /nfs/dbraw/zinc/06/03/50/395060350.db2.gz IYQKCPKGZHWBAO-CHWSQXEVSA-N 1 0 259.353 2.409 20 70 CEIDRO C[C@H]1CN(C(=O)C2([NH3+])CC2)CC[C@H]1c1ccccc1 ZINC000161231477 395063621 /nfs/dbraw/zinc/06/36/21/395063621.db2.gz QMIANWNUSOQNAA-GXTWGEPZSA-N 1 0 258.365 2.130 20 70 CEIDRO C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160652224 297439180 /nfs/dbraw/zinc/43/91/80/297439180.db2.gz BPCARKZVRRQQQS-CFVMTHIKSA-N 1 0 255.402 2.332 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000161052625 400284328 /nfs/dbraw/zinc/28/43/28/400284328.db2.gz NVEMNDDGJSATOZ-MFKMUULPSA-N 1 0 268.788 2.467 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000159678758 162310373 /nfs/dbraw/zinc/31/03/73/162310373.db2.gz YCOFBCKPILCOTB-JQWIXIFHSA-N 1 0 293.436 2.496 20 70 CEIDRO CC[NH+](CC)CCC[C@H](C)Nc1nc(OC)cc(OC)n1 ZINC000159771092 162314293 /nfs/dbraw/zinc/31/42/93/162314293.db2.gz XWTIRGGRAFGVCA-LBPRGKRZSA-N 1 0 296.415 2.416 20 70 CEIDRO CC[C@]1(C)C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159809518 162315388 /nfs/dbraw/zinc/31/53/88/162315388.db2.gz SREPCSQZHHOAMC-GDBMZVCRSA-N 1 0 264.413 2.413 20 70 CEIDRO CN(C(=O)[C@H]1CSc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159852449 162316956 /nfs/dbraw/zinc/31/69/56/162316956.db2.gz RFTOEUJFFFFDHA-QWHCGFSZSA-N 1 0 276.405 2.072 20 70 CEIDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c(F)cc1F ZINC000159861651 162317265 /nfs/dbraw/zinc/31/72/65/162317265.db2.gz OPBKUNWOABBQBH-CYBMUJFWSA-N 1 0 268.307 2.083 20 70 CEIDRO OCC1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCCC1 ZINC000160084511 162321415 /nfs/dbraw/zinc/32/14/15/162321415.db2.gz FPSZTLGFTFXKCP-UHFFFAOYSA-N 1 0 294.361 2.155 20 70 CEIDRO O=C(c1ccc2ncccc2c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160156122 162324034 /nfs/dbraw/zinc/32/40/34/162324034.db2.gz FDEMRJFBOPVWOD-GASCZTMLSA-N 1 0 281.359 2.201 20 70 CEIDRO CCCCOC(=O)[C@@H](C)N1CCC[C@H](n2cccn2)C1 ZINC000160252698 162325503 /nfs/dbraw/zinc/32/55/03/162325503.db2.gz YUIAREGFQVGFRT-KGLIPLIRSA-N 1 0 279.384 2.252 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CCO)CSC)CC2 ZINC000160219964 162326124 /nfs/dbraw/zinc/32/61/24/162326124.db2.gz FUEWKLMVJTUOPR-IUODEOHRSA-N 1 0 281.421 2.386 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000161351479 277025219 /nfs/dbraw/zinc/02/52/19/277025219.db2.gz QHNZEFBPZUKICW-HOBHPSKFSA-N 1 0 295.471 2.144 20 70 CEIDRO COCCN(C)CC[NH2+][C@H]1c2cc(F)ccc2C[C@@H]1C ZINC000159433362 277213826 /nfs/dbraw/zinc/21/38/26/277213826.db2.gz MCTLDPONWNSJLS-BLLLJJGKSA-N 1 0 280.387 2.227 20 70 CEIDRO CC(=O)NC1CCC([NH2+]C[C@H](C(C)C)N2CCCC2)CC1 ZINC000161268613 278088423 /nfs/dbraw/zinc/08/84/23/278088423.db2.gz NKUGTRJDFABFTH-OFLPRAFFSA-N 1 0 295.471 2.144 20 70 CEIDRO CC[C@@H](C(=O)NCCc1nc2c(s1)CCCC2)[NH+](C)C ZINC000160898956 280076746 /nfs/dbraw/zinc/07/67/46/280076746.db2.gz OHLQXEQQNVPVLQ-LBPRGKRZSA-N 1 0 295.452 2.021 20 70 CEIDRO CC[C@@H](C)[NH+]1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000160518362 280104521 /nfs/dbraw/zinc/10/45/21/280104521.db2.gz AGJPFZPECDHWEN-CQSZACIVSA-N 1 0 267.417 2.254 20 70 CEIDRO [NH3+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000217535726 280209375 /nfs/dbraw/zinc/20/93/75/280209375.db2.gz NWADHPNZXQJSEP-UJZCVKTISA-N 1 0 262.328 2.036 20 70 CEIDRO CC[C@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159973738 288230970 /nfs/dbraw/zinc/23/09/70/288230970.db2.gz LUHKOAYYUMUAOH-UONOGXRCSA-N 1 0 267.417 2.302 20 70 CEIDRO COCCC1(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000159583982 297429152 /nfs/dbraw/zinc/42/91/52/297429152.db2.gz GNRGWHRPHZWUBY-PBHICJAKSA-N 1 0 296.455 2.430 20 70 CEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159627646 297429296 /nfs/dbraw/zinc/42/92/96/297429296.db2.gz BZQGJLSWHGFUAV-VXGBXAGGSA-N 1 0 258.431 2.119 20 70 CEIDRO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000159696740 297429898 /nfs/dbraw/zinc/42/98/98/297429898.db2.gz KUVBFWSEWSTJQQ-KKUMJFAQSA-N 1 0 260.381 2.245 20 70 CEIDRO C[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159883489 312634846 /nfs/dbraw/zinc/63/48/46/312634846.db2.gz AQVIIOVRCOMJFQ-LNSITVRQSA-N 1 0 258.365 2.036 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000160228630 312637623 /nfs/dbraw/zinc/63/76/23/312637623.db2.gz NBCLXJKYIDBXEO-CQSZACIVSA-N 1 0 281.396 2.058 20 70 CEIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000160283275 533789820 /nfs/dbraw/zinc/78/98/20/533789820.db2.gz SLVCDLNSZPPDTM-AAEUAGOBSA-N 1 0 297.420 2.222 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCN(C)C2CCCCC2)CC1 ZINC000161370545 519645413 /nfs/dbraw/zinc/64/54/13/519645413.db2.gz XDYTWFHUCFACRH-UHFFFAOYSA-N 1 0 295.471 2.288 20 70 CEIDRO CCCCO[C@@H](C)C(=O)N1CCC[N@H+](CCC)CC1 ZINC000160366217 520814458 /nfs/dbraw/zinc/81/44/58/520814458.db2.gz JSDJDQWFJBHHLJ-AWEZNQCLSA-N 1 0 270.417 2.136 20 70 CEIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N2CCC(C)CC2)C1 ZINC000160555968 520842410 /nfs/dbraw/zinc/84/24/10/520842410.db2.gz OQFQLWZRQFYHOL-CQSZACIVSA-N 1 0 267.417 2.254 20 70 CEIDRO CC[C@@H](C)[NH+]1CCN(C(=O)NC2CCCC2)CC1 ZINC000160516519 522111718 /nfs/dbraw/zinc/11/17/18/522111718.db2.gz ABHRHFCDJDPMRZ-GFCCVEGCSA-N 1 0 253.390 2.055 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000160380201 524753967 /nfs/dbraw/zinc/75/39/67/524753967.db2.gz VMGDOCNVIFJQOV-ZIAGYGMSSA-N 1 0 288.391 2.153 20 70 CEIDRO COc1ccccc1[C@H]1CCC[N@H+]1CC(OC)OC ZINC000160876899 524809218 /nfs/dbraw/zinc/80/92/18/524809218.db2.gz WBUOFEHQFDABDW-CYBMUJFWSA-N 1 0 265.353 2.451 20 70 CEIDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)NC1CC1 ZINC000160822363 525662268 /nfs/dbraw/zinc/66/22/68/525662268.db2.gz GXIIWIXVJSQKBG-CHWSQXEVSA-N 1 0 298.390 2.190 20 70 CEIDRO O=C(CC1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160579711 526359656 /nfs/dbraw/zinc/35/96/56/526359656.db2.gz OTQZZJYUHNNHSO-OKILXGFUSA-N 1 0 250.386 2.310 20 70 CEIDRO OCCOC1CC[NH+](CCSc2ccccc2)CC1 ZINC000160435451 527555006 /nfs/dbraw/zinc/55/50/06/527555006.db2.gz VVPBXCGAZQYGLX-UHFFFAOYSA-N 1 0 281.421 2.252 20 70 CEIDRO CC[C@@H](C)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000160517587 539278719 /nfs/dbraw/zinc/27/87/19/539278719.db2.gz IISPDMHGBRSZIU-CYBMUJFWSA-N 1 0 253.390 2.008 20 70 CEIDRO C[C@H](CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1ccncc1 ZINC000160823012 539279083 /nfs/dbraw/zinc/27/90/83/539279083.db2.gz MVOPRFHVFDZXRU-UKRRQHHQSA-N 1 0 275.396 2.128 20 70 CEIDRO CC(C)OC[C@@H](O)C[NH2+]Cc1cccc2cccnc21 ZINC000159413915 344454980 /nfs/dbraw/zinc/45/49/80/344454980.db2.gz NTKVMKWRPLPYSR-HNNXBMFYSA-N 1 0 274.364 2.110 20 70 CEIDRO FC(F)CN1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159575301 344455124 /nfs/dbraw/zinc/45/51/24/344455124.db2.gz RQQXCHRVANQJCC-NSHDSACASA-N 1 0 264.385 2.201 20 70 CEIDRO CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159711291 344455721 /nfs/dbraw/zinc/45/57/21/344455721.db2.gz FFJFLNQNIGSCKQ-GJZGRUSLSA-N 1 0 282.428 2.184 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NCCOC1CCCCCC1 ZINC000160087567 344456992 /nfs/dbraw/zinc/45/69/92/344456992.db2.gz GBYGPQMVANUUKV-UHFFFAOYSA-N 1 0 270.417 2.230 20 70 CEIDRO C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160653447 344460741 /nfs/dbraw/zinc/46/07/41/344460741.db2.gz KATIKZINILXEJV-ZFWWWQNUSA-N 1 0 279.428 2.302 20 70 CEIDRO Cn1ccnc1CN1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000160745539 344461286 /nfs/dbraw/zinc/46/12/86/344461286.db2.gz YPCNEUHQAKMKTE-UHFFFAOYSA-N 1 0 299.374 2.221 20 70 CEIDRO CC[C@H](C(=O)NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000218237251 344536243 /nfs/dbraw/zinc/53/62/43/344536243.db2.gz IDLZAFZERQVBQS-AWEZNQCLSA-N 1 0 264.344 2.188 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000161030269 232253175 /nfs/dbraw/zinc/25/31/75/232253175.db2.gz RRGLBUGQUTXMGI-MELADBBJSA-N 1 0 250.386 2.214 20 70 CEIDRO COc1cc(C(=O)NCCC[NH3+])ccc1OC1CCCC1 ZINC000160080325 188454133 /nfs/dbraw/zinc/45/41/33/188454133.db2.gz VUOHJWPLICGZSO-UHFFFAOYSA-N 1 0 292.379 2.095 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160278966 188464195 /nfs/dbraw/zinc/46/41/95/188464195.db2.gz DWTDIRWELVGMCA-ZIAGYGMSSA-N 1 0 292.398 2.414 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1cccc(F)c1F ZINC000161170034 188512847 /nfs/dbraw/zinc/51/28/47/188512847.db2.gz DJIWMFBTJJBVRB-LBPRGKRZSA-N 1 0 282.334 2.108 20 70 CEIDRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000161134998 188510674 /nfs/dbraw/zinc/51/06/74/188510674.db2.gz MUVHRXRILDZWAU-SNVBAGLBSA-N 1 0 285.338 2.277 20 70 CEIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000161350597 188523079 /nfs/dbraw/zinc/52/30/79/188523079.db2.gz OUXBYXDEMLDYBN-ZBFHGGJFSA-N 1 0 274.408 2.493 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)C12CCCC2 ZINC000159557981 540096399 /nfs/dbraw/zinc/09/63/99/540096399.db2.gz KJGYQEMRKUKQTO-QWHCGFSZSA-N 1 0 280.412 2.112 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160540830 540118077 /nfs/dbraw/zinc/11/80/77/540118077.db2.gz CNLQRUDLFMIUTI-UONOGXRCSA-N 1 0 276.355 2.101 20 70 CEIDRO CCCn1nccc1CNCC[NH+]1CCCCCC1 ZINC000160114615 540112113 /nfs/dbraw/zinc/11/21/13/540112113.db2.gz AHAHRWCYJBOUQA-UHFFFAOYSA-N 1 0 264.417 2.259 20 70 CEIDRO COc1cc(C)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160795482 540123396 /nfs/dbraw/zinc/12/33/96/540123396.db2.gz KVOCBAQWUZVLLF-UWVGGRQHSA-N 1 0 268.382 2.065 20 70 CEIDRO CSc1ccsc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161027856 540131324 /nfs/dbraw/zinc/13/13/24/540131324.db2.gz IZFVSTGCVXYPPD-RKDXNWHRSA-N 1 0 270.423 2.470 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2OCC2CC2)C1 ZINC000161060801 540132513 /nfs/dbraw/zinc/13/25/13/540132513.db2.gz RJTDRORBWHDXDD-ZIAGYGMSSA-N 1 0 288.391 2.475 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2ccccc2Cl)C1 ZINC000161093015 540133151 /nfs/dbraw/zinc/13/31/51/540133151.db2.gz YLDMDXMYABXZGX-RYUDHWBXSA-N 1 0 296.798 2.495 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000161316123 540136394 /nfs/dbraw/zinc/13/63/94/540136394.db2.gz FCHINPZPCJXGOR-IUCAKERBSA-N 1 0 272.270 2.104 20 70 CEIDRO CC(C)Oc1cccc(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161298396 540136616 /nfs/dbraw/zinc/13/66/16/540136616.db2.gz SOQPPJUCMQJNHL-CABCVRRESA-N 1 0 290.407 2.402 20 70 CEIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@H](O)C2CC2)cc1 ZINC000160068855 540444771 /nfs/dbraw/zinc/44/47/71/540444771.db2.gz YAXFDUXJIXJBDD-INIZCTEOSA-N 1 0 261.365 2.271 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1c(F)cccc1F ZINC000159688416 366940127 /nfs/dbraw/zinc/94/01/27/366940127.db2.gz YIPFCYLYHVPNGV-VHSXEESVSA-N 1 0 268.307 2.051 20 70 CEIDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C)nc(OC)c2C)C1 ZINC000159413024 366909745 /nfs/dbraw/zinc/90/97/45/366909745.db2.gz QTMQAJAPIWBWKY-CQSZACIVSA-N 1 0 292.427 2.270 20 70 CEIDRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1NC(=O)C(C)(C)C ZINC000159527538 366922911 /nfs/dbraw/zinc/92/29/11/366922911.db2.gz IYNMJEVFHIZHOL-JTQLQIEISA-N 1 0 277.368 2.265 20 70 CEIDRO C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000159540052 366923462 /nfs/dbraw/zinc/92/34/62/366923462.db2.gz JOEFCNNEGDPPIE-LLVKDONJSA-N 1 0 266.410 2.404 20 70 CEIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC000159572445 366927413 /nfs/dbraw/zinc/92/74/13/366927413.db2.gz PBUKAJNFRBBDOJ-LBPRGKRZSA-N 1 0 264.344 2.348 20 70 CEIDRO COc1ccccc1/C=C/C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000159604828 366931581 /nfs/dbraw/zinc/93/15/81/366931581.db2.gz GJFXUDWGRDZNSS-RLWBPUTGSA-N 1 0 288.391 2.294 20 70 CEIDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCOCC2CC2)C1 ZINC000159611972 366932704 /nfs/dbraw/zinc/93/27/04/366932704.db2.gz HNLOLCHNDRUFHP-GOEBONIOSA-N 1 0 296.455 2.430 20 70 CEIDRO CC(C)(C)c1nsc(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000159661307 366936787 /nfs/dbraw/zinc/93/67/87/366936787.db2.gz CBHDNBWPONJDGI-LLVKDONJSA-N 1 0 278.425 2.286 20 70 CEIDRO COc1ccc(C(=O)NCC2([NH3+])CCCCC2)c(C)c1 ZINC000159658854 366937228 /nfs/dbraw/zinc/93/72/28/366937228.db2.gz DULDSXFAUBFFKA-UHFFFAOYSA-N 1 0 276.380 2.395 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)CC1CC1 ZINC000159804358 366950193 /nfs/dbraw/zinc/95/01/93/366950193.db2.gz IEKBJGAEGSYTHS-UHFFFAOYSA-N 1 0 295.452 2.264 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159859543 366955083 /nfs/dbraw/zinc/95/50/83/366955083.db2.gz GAYYMPLESGMEGF-NEPJUHHUSA-N 1 0 255.406 2.203 20 70 CEIDRO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159879349 366955878 /nfs/dbraw/zinc/95/58/78/366955878.db2.gz DDOCVQXJQDVKDI-SYQHCUMBSA-N 1 0 250.386 2.166 20 70 CEIDRO C[N@@H+]1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159969972 366962187 /nfs/dbraw/zinc/96/21/87/366962187.db2.gz OKPAAFZDNCWXOM-LBPRGKRZSA-N 1 0 252.402 2.271 20 70 CEIDRO CC[C@@H](C)OCC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000159992070 366964014 /nfs/dbraw/zinc/96/40/14/366964014.db2.gz SORUKZGCQSWMAG-ZBFHGGJFSA-N 1 0 292.423 2.091 20 70 CEIDRO CC(C)([NH3+])CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000160078504 366971895 /nfs/dbraw/zinc/97/18/95/366971895.db2.gz RIKRIVZETBPUFL-UHFFFAOYSA-N 1 0 278.396 2.216 20 70 CEIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000160113524 366974913 /nfs/dbraw/zinc/97/49/13/366974913.db2.gz DBXNTAAWYXSXGU-HIFRSBDPSA-N 1 0 280.387 2.272 20 70 CEIDRO CC(C)c1cccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160154732 366977612 /nfs/dbraw/zinc/97/76/12/366977612.db2.gz UYOZMTIZDRQKSI-MRXNPFEDSA-N 1 0 289.423 2.418 20 70 CEIDRO C[C@@]1([NH2+]Cc2ccc(Br)cn2)CCOC1 ZINC000160189914 366980778 /nfs/dbraw/zinc/98/07/78/366980778.db2.gz HQJQVSHZBWSPBR-LLVKDONJSA-N 1 0 271.158 2.113 20 70 CEIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2ccccc21 ZINC000160209603 366982184 /nfs/dbraw/zinc/98/21/84/366982184.db2.gz OQSJHXKIJLDZCB-GXTWGEPZSA-N 1 0 251.395 2.378 20 70 CEIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cnccn1 ZINC000160216084 366983496 /nfs/dbraw/zinc/98/34/96/366983496.db2.gz CKPLDCWZSVTQDF-HIFRSBDPSA-N 1 0 268.364 2.409 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000160252465 366987048 /nfs/dbraw/zinc/98/70/48/366987048.db2.gz IYBVJNLLIKYDID-SNVBAGLBSA-N 1 0 299.802 2.170 20 70 CEIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000160250995 366987290 /nfs/dbraw/zinc/98/72/90/366987290.db2.gz WKZZOKFNJIDXMH-CQSZACIVSA-N 1 0 293.455 2.454 20 70 CEIDRO CN(CCC[NH+](C)C)c1nc(C(C)(C)C)ns1 ZINC000160276114 366989000 /nfs/dbraw/zinc/98/90/00/366989000.db2.gz ROIRNNFBEZADKM-UHFFFAOYSA-N 1 0 256.419 2.224 20 70 CEIDRO CC1CC[NH+](CCNC(=O)NC[C@]2(C)CCCS2)CC1 ZINC000160272940 366989039 /nfs/dbraw/zinc/98/90/39/366989039.db2.gz DZGVAHXHMQFIDM-HNNXBMFYSA-N 1 0 299.484 2.303 20 70 CEIDRO Cc1cccc2nc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160313963 366992978 /nfs/dbraw/zinc/99/29/78/366992978.db2.gz MEYHHPOKSUWWBG-JGGQBBKZSA-N 1 0 286.423 2.461 20 70 CEIDRO Cc1cccc2nc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn21 ZINC000160313711 366993145 /nfs/dbraw/zinc/99/31/45/366993145.db2.gz MEYHHPOKSUWWBG-DUVNUKRYSA-N 1 0 286.423 2.461 20 70 CEIDRO COC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)C1CC1 ZINC000160346248 366996470 /nfs/dbraw/zinc/99/64/70/366996470.db2.gz VYOLDSCPYOWPFO-AWEZNQCLSA-N 1 0 259.353 2.157 20 70 CEIDRO CC(C)(O)C[NH+]1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000160591118 367020800 /nfs/dbraw/zinc/02/08/00/367020800.db2.gz QVVMGPVAOGGKLZ-UHFFFAOYSA-N 1 0 296.455 2.262 20 70 CEIDRO CC[C@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+](C)C ZINC000160629946 367022221 /nfs/dbraw/zinc/02/22/21/367022221.db2.gz KUVGOGPEIYBGDG-GFCCVEGCSA-N 1 0 297.468 2.440 20 70 CEIDRO Cc1noc(C)c1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160418486 367003638 /nfs/dbraw/zinc/00/36/38/367003638.db2.gz QAAZTMGUZBWACA-CQSZACIVSA-N 1 0 293.411 2.071 20 70 CEIDRO Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)cc[nH+]1 ZINC000160918914 367042727 /nfs/dbraw/zinc/04/27/27/367042727.db2.gz IYQMYQIDKPRXLL-UHFFFAOYSA-N 1 0 276.361 2.406 20 70 CEIDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160959455 367045763 /nfs/dbraw/zinc/04/57/63/367045763.db2.gz XVEKDWBLFGUPOP-QWHCGFSZSA-N 1 0 278.396 2.336 20 70 CEIDRO CC(C)(CNC(=O)[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000161076310 367053057 /nfs/dbraw/zinc/05/30/57/367053057.db2.gz ULVATZJAQQWINK-OAHLLOKOSA-N 1 0 274.408 2.371 20 70 CEIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CCC[NH3+])cc1 ZINC000161104072 367058125 /nfs/dbraw/zinc/05/81/25/367058125.db2.gz HCMJCNFKGMLMGX-NVXWUHKLSA-N 1 0 290.407 2.318 20 70 CEIDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000161134868 367060712 /nfs/dbraw/zinc/06/07/12/367060712.db2.gz MUVHRXRILDZWAU-JTQLQIEISA-N 1 0 285.338 2.277 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000161138664 367060875 /nfs/dbraw/zinc/06/08/75/367060875.db2.gz MZBIQQYBIDSOEZ-JTQLQIEISA-N 1 0 277.393 2.454 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCc1cccc(F)c1F ZINC000161170169 367063532 /nfs/dbraw/zinc/06/35/32/367063532.db2.gz DJIWMFBTJJBVRB-GFCCVEGCSA-N 1 0 282.334 2.108 20 70 CEIDRO Cc1cccc(O[C@H](C)CNC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000161168502 367064470 /nfs/dbraw/zinc/06/44/70/367064470.db2.gz AVKPXUWPYFJMDB-KGLIPLIRSA-N 1 0 276.380 2.021 20 70 CEIDRO CCC(CC)c1cc(C(=O)N2CCC[C@H]2C[NH2+]C)on1 ZINC000161177429 367065357 /nfs/dbraw/zinc/06/53/57/367065357.db2.gz MZOXVDLTPUDNOC-LBPRGKRZSA-N 1 0 279.384 2.402 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc(C)cc1 ZINC000161268743 367072679 /nfs/dbraw/zinc/07/26/79/367072679.db2.gz PWRASOSQMSEBQS-HNNXBMFYSA-N 1 0 288.391 2.168 20 70 CEIDRO CC(C)CSCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160738369 367031353 /nfs/dbraw/zinc/03/13/53/367031353.db2.gz WQGXADGQWVOHDW-CYBMUJFWSA-N 1 0 274.474 2.468 20 70 CEIDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160776080 367033846 /nfs/dbraw/zinc/03/38/46/367033846.db2.gz QZJCBOYYKIBHTL-GFCCVEGCSA-N 1 0 295.452 2.194 20 70 CEIDRO CN(CCC[NH+]1CCCCC1)CCc1ccccn1 ZINC000161464201 367088960 /nfs/dbraw/zinc/08/89/60/367088960.db2.gz YLCLUJGPDLGNFT-UHFFFAOYSA-N 1 0 261.413 2.432 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc2c(c(OC)c1)OCO2 ZINC000217373920 370194810 /nfs/dbraw/zinc/19/48/10/370194810.db2.gz DQMVCWZWPFDODU-GFCCVEGCSA-N 1 0 294.395 2.244 20 70 CEIDRO O=C(/C=C\c1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000217464479 370196877 /nfs/dbraw/zinc/19/68/77/370196877.db2.gz RWUFVGOELGAAIX-UJZCVKTISA-N 1 0 278.783 2.469 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CSc2ccccc2)C1 ZINC000160720213 532967753 /nfs/dbraw/zinc/96/77/53/532967753.db2.gz QOPWFEYRKDXPQQ-CHWSQXEVSA-N 1 0 278.421 2.235 20 70 CEIDRO C[C@@H]1C[C@H](CC(=O)N2CC[NH2+]CC2)CC(C)(C)C1 ZINC000159450260 288684965 /nfs/dbraw/zinc/68/49/65/288684965.db2.gz OTGDUEFMLNXLCB-CHWSQXEVSA-N 1 0 252.402 2.271 20 70 CEIDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CCCCC1 ZINC000160668341 395061904 /nfs/dbraw/zinc/06/19/04/395061904.db2.gz FDBCKSVUIGBHHN-ZDUSSCGKSA-N 1 0 253.390 2.055 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159628058 297429493 /nfs/dbraw/zinc/42/94/93/297429493.db2.gz BZQGJLSWHGFUAV-RYUDHWBXSA-N 1 0 258.431 2.119 20 70 CEIDRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C[NH3+] ZINC000160078427 297432807 /nfs/dbraw/zinc/43/28/07/297432807.db2.gz BILRCNFNIFCWTC-CYBMUJFWSA-N 1 0 254.761 2.454 20 70 CEIDRO CCc1ncnc(N[C@H](C)C[NH+](CC)CC)c1F ZINC000217991910 153295676 /nfs/dbraw/zinc/29/56/76/153295676.db2.gz ZSBBVMWVVJTANW-SNVBAGLBSA-N 1 0 254.353 2.320 20 70 CEIDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1O ZINC000217914700 153297965 /nfs/dbraw/zinc/29/79/65/153297965.db2.gz BNNXKPPRONOEMN-LSDHHAIUSA-N 1 0 290.407 2.317 20 70 CEIDRO CCOCCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000159511327 162310000 /nfs/dbraw/zinc/31/00/00/162310000.db2.gz XVXAEYXNAUKTFK-UHFFFAOYSA-N 1 0 256.434 2.467 20 70 CEIDRO CN(C(=O)c1ccc2ncccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159809893 162315652 /nfs/dbraw/zinc/31/56/52/162315652.db2.gz RRIBGTNGLDEBGI-HNNXBMFYSA-N 1 0 269.348 2.044 20 70 CEIDRO Cc1ccccc1-c1nc(CN2CCCC[C@@H]2CO)no1 ZINC000159863457 162316451 /nfs/dbraw/zinc/31/64/51/162316451.db2.gz VWTVDXKXPFQZLF-CYBMUJFWSA-N 1 0 287.363 2.392 20 70 CEIDRO CN(C(=O)c1cc2c(s1)CCCC2)[C@H](C[NH3+])C1CC1 ZINC000159836064 162316489 /nfs/dbraw/zinc/31/64/89/162316489.db2.gz AIXDCHCABAHPFN-GFCCVEGCSA-N 1 0 278.421 2.436 20 70 CEIDRO CCCC1(CNC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159986697 162320502 /nfs/dbraw/zinc/32/05/02/162320502.db2.gz OWOBTQPKGJYHFH-UHFFFAOYSA-N 1 0 267.417 2.304 20 70 CEIDRO CCOc1cc(C[NH2+]CC2(CO)CCCC2)ccc1O ZINC000160095012 162321763 /nfs/dbraw/zinc/32/17/63/162321763.db2.gz DCKXAJLTDLSTMW-UHFFFAOYSA-N 1 0 279.380 2.433 20 70 CEIDRO COCC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160374585 162327216 /nfs/dbraw/zinc/32/72/16/162327216.db2.gz NEIYSRDGKIBDBO-UHFFFAOYSA-N 1 0 259.353 2.193 20 70 CEIDRO Fc1cc(Cl)ccc1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000160855308 162327346 /nfs/dbraw/zinc/32/73/46/162327346.db2.gz SVGYKBVYTGIKEN-ZIAGYGMSSA-N 1 0 298.789 2.432 20 70 CEIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cnccn1 ZINC000161126260 297442042 /nfs/dbraw/zinc/44/20/42/297442042.db2.gz ZXPXWYIBPQAMRK-LLVKDONJSA-N 1 0 271.320 2.099 20 70 CEIDRO COCC[C@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161466623 297445455 /nfs/dbraw/zinc/44/54/55/297445455.db2.gz QDSMHOCGJFHQLG-AWEZNQCLSA-N 1 0 299.459 2.175 20 70 CEIDRO C[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccsc1 ZINC000159539912 312632657 /nfs/dbraw/zinc/63/26/57/312632657.db2.gz JOEFCNNEGDPPIE-NSHDSACASA-N 1 0 266.410 2.404 20 70 CEIDRO CC[C@H](C)OCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159661443 312633190 /nfs/dbraw/zinc/63/31/90/312633190.db2.gz ZJQXYYRDZCWMMY-AWEZNQCLSA-N 1 0 272.433 2.427 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC000217858647 329456876 /nfs/dbraw/zinc/45/68/76/329456876.db2.gz YYVXRJMUJWAYPG-HNNXBMFYSA-N 1 0 276.405 2.438 20 70 CEIDRO COC(C)(C)C[NH2+]Cc1cncc(Br)c1 ZINC000160595398 522492862 /nfs/dbraw/zinc/49/28/62/522492862.db2.gz KULLBIZZOUXLLO-UHFFFAOYSA-N 1 0 273.174 2.359 20 70 CEIDRO CC[C@@H](C(=O)NC[C@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000159667662 521846726 /nfs/dbraw/zinc/84/67/26/521846726.db2.gz BETQVTNZYGAHHV-HIFRSBDPSA-N 1 0 289.423 2.067 20 70 CEIDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160594713 525813160 /nfs/dbraw/zinc/81/31/60/525813160.db2.gz CPTSYLLELXLLSF-IUCAKERBSA-N 1 0 273.174 2.093 20 70 CEIDRO O=C([C@H]1CCCC[N@@H+]1CCC1CCCC1)N1CCOCC1 ZINC000160391547 526534259 /nfs/dbraw/zinc/53/42/59/526534259.db2.gz JZQDZXXGOKJRRQ-MRXNPFEDSA-N 1 0 294.439 2.280 20 70 CEIDRO CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000159667377 526739864 /nfs/dbraw/zinc/73/98/64/526739864.db2.gz CAGBRJZPMLYMMV-KGLIPLIRSA-N 1 0 296.455 2.463 20 70 CEIDRO Cc1ncc(/C=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000161478875 527219005 /nfs/dbraw/zinc/21/90/05/527219005.db2.gz DRCDDBKSKKOIMH-PIPZZWBRSA-N 1 0 291.420 2.206 20 70 CEIDRO CCC(CC)n1nccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000160700987 528914868 /nfs/dbraw/zinc/91/48/68/528914868.db2.gz RTQQUFUZIAOVKS-AWEZNQCLSA-N 1 0 292.427 2.458 20 70 CEIDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000218300160 539286680 /nfs/dbraw/zinc/28/66/80/539286680.db2.gz ABQCDCCUTHFRDU-ZJUUUORDSA-N 1 0 271.202 2.317 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3ccco3)nc2C)C1 ZINC000160532018 188478076 /nfs/dbraw/zinc/47/80/76/188478076.db2.gz HXFCCDSZZIMODR-LBPRGKRZSA-N 1 0 285.347 2.084 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159789029 540103652 /nfs/dbraw/zinc/10/36/52/540103652.db2.gz ZIHJLEXUYYLAKD-HUUCEWRRSA-N 1 0 260.381 2.294 20 70 CEIDRO CC(C)c1cc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)on1 ZINC000160148662 540113021 /nfs/dbraw/zinc/11/30/21/540113021.db2.gz JEVDPLVGBUNLTJ-ZLDLUXBVSA-N 1 0 291.395 2.335 20 70 CEIDRO CC(C)CCN(C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160265483 540114437 /nfs/dbraw/zinc/11/44/37/540114437.db2.gz GFGWXRBFVFJVAJ-HEHGZKQESA-N 1 0 282.428 2.023 20 70 CEIDRO COc1ccc(CCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160886638 540126398 /nfs/dbraw/zinc/12/63/98/540126398.db2.gz DTYUHTBSOLLZFW-LSDHHAIUSA-N 1 0 290.407 2.404 20 70 CEIDRO [NH3+]C1(CC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000161070556 540132304 /nfs/dbraw/zinc/13/23/04/540132304.db2.gz QNWVMDBPTZUAQZ-CHWSQXEVSA-N 1 0 250.386 2.343 20 70 CEIDRO C[C@H]1CN(C(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)CO1 ZINC000161090139 540133066 /nfs/dbraw/zinc/13/30/66/540133066.db2.gz MMXYKYVCFNRXCI-DZGCQCFKSA-N 1 0 288.391 2.247 20 70 CEIDRO COc1ccc2nc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc2c1 ZINC000161213693 540135419 /nfs/dbraw/zinc/13/54/19/540135419.db2.gz PZSCYBXBWQBLAV-CHWSQXEVSA-N 1 0 299.374 2.243 20 70 CEIDRO Cc1ncsc1CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000217731938 540412952 /nfs/dbraw/zinc/41/29/52/540412952.db2.gz HKNKEHYIJAXPMA-HNNXBMFYSA-N 1 0 276.405 2.491 20 70 CEIDRO CC[C@@H](C)OCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159776394 366947229 /nfs/dbraw/zinc/94/72/29/366947229.db2.gz NJBOZFVPQLDSIK-UONOGXRCSA-N 1 0 270.417 2.040 20 70 CEIDRO C[C@H]([NH2+]CCO)[C@H](C)c1nc2ccccc2s1 ZINC000159697516 366940365 /nfs/dbraw/zinc/94/03/65/366940365.db2.gz QGJKWQPZWKKUAB-UWVGGRQHSA-N 1 0 250.367 2.370 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159723295 366943472 /nfs/dbraw/zinc/94/34/72/366943472.db2.gz KDZGNNJRSBJNQY-ILXRZTDVSA-N 1 0 260.381 2.422 20 70 CEIDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159361628 366906554 /nfs/dbraw/zinc/90/65/54/366906554.db2.gz VUBDDVREKJBKNX-OLZOCXBDSA-N 1 0 292.423 2.451 20 70 CEIDRO COCCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159398701 366908652 /nfs/dbraw/zinc/90/86/52/366908652.db2.gz WKXBJBHIYMBPQB-INIZCTEOSA-N 1 0 261.365 2.197 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)on1 ZINC000159423406 366911710 /nfs/dbraw/zinc/91/17/10/366911710.db2.gz MRWVZVGAALWKSG-UTUOFQBUSA-N 1 0 277.368 2.155 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c(F)c1 ZINC000159478571 366917490 /nfs/dbraw/zinc/91/74/90/366917490.db2.gz STDWZDMGLCKYNC-GFCCVEGCSA-N 1 0 294.370 2.497 20 70 CEIDRO c1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2ccccn12 ZINC000159494695 366919066 /nfs/dbraw/zinc/91/90/66/366919066.db2.gz KFSZBKBWTXXUIN-BMFZPTHFSA-N 1 0 283.375 2.382 20 70 CEIDRO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1 ZINC000159497841 366919614 /nfs/dbraw/zinc/91/96/14/366919614.db2.gz BISVZWSRKSSWFO-UHFFFAOYSA-N 1 0 296.455 2.431 20 70 CEIDRO Cc1ccccc1-c1noc([C@H](C)N(C)C[C@@H](C)O)n1 ZINC000159509184 366921049 /nfs/dbraw/zinc/92/10/49/366921049.db2.gz OPBGKHUHPNXPFA-NEPJUHHUSA-N 1 0 275.352 2.419 20 70 CEIDRO CCN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159521041 366922302 /nfs/dbraw/zinc/92/23/02/366922302.db2.gz HEUCBQSZJBMYDY-ZBFHGGJFSA-N 1 0 290.407 2.132 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)C(C)C)CC2 ZINC000159559809 366926031 /nfs/dbraw/zinc/92/60/31/366926031.db2.gz XACXYGGZCJNOHT-ZBFHGGJFSA-N 1 0 263.381 2.159 20 70 CEIDRO Cc1ncccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159588221 366930026 /nfs/dbraw/zinc/93/00/26/366930026.db2.gz VKUDBNRKAQNKCF-KKUMJFAQSA-N 1 0 258.365 2.437 20 70 CEIDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCOCC2CC2)C1 ZINC000159612223 366932260 /nfs/dbraw/zinc/93/22/60/366932260.db2.gz HNLOLCHNDRUFHP-GDBMZVCRSA-N 1 0 296.455 2.430 20 70 CEIDRO C[NH+](C)[C@@H](CNC(=O)C1(C)CC1)Cc1ccccc1 ZINC000159632221 366934122 /nfs/dbraw/zinc/93/41/22/366934122.db2.gz BMLNYZACJNRPTM-CQSZACIVSA-N 1 0 260.381 2.076 20 70 CEIDRO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1(C)C ZINC000159769865 366947110 /nfs/dbraw/zinc/94/71/10/366947110.db2.gz LAGJMOOIBCAAPF-UONOGXRCSA-N 1 0 297.443 2.103 20 70 CEIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000159854765 366953109 /nfs/dbraw/zinc/95/31/09/366953109.db2.gz PIHXKICUNNEOEX-STQMWFEESA-N 1 0 278.421 2.370 20 70 CEIDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)N1CCc2ccccc2C1 ZINC000159797362 366949501 /nfs/dbraw/zinc/94/95/01/366949501.db2.gz PVFIGFXOCYQIAQ-RVKKMQEKSA-N 1 0 288.435 2.448 20 70 CEIDRO Cc1c2cc(F)ccc2sc1C(=O)NCCC[NH3+] ZINC000160041999 366967262 /nfs/dbraw/zinc/96/72/62/366967262.db2.gz OPSXIACODLSWKI-UHFFFAOYSA-N 1 0 266.341 2.427 20 70 CEIDRO C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000160134999 366976789 /nfs/dbraw/zinc/97/67/89/366976789.db2.gz RVVSGSMFHZIPLF-WDEREUQCSA-N 1 0 252.383 2.062 20 70 CEIDRO CCCCn1ncc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1C ZINC000160233692 366986122 /nfs/dbraw/zinc/98/61/22/366986122.db2.gz DYFFZDNRFQUTMO-ZDUSSCGKSA-N 1 0 293.415 2.159 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000160266299 366987514 /nfs/dbraw/zinc/98/75/14/366987514.db2.gz YCASBLOEVYXNPM-INIZCTEOSA-N 1 0 281.359 2.312 20 70 CEIDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000160327846 366995573 /nfs/dbraw/zinc/99/55/73/366995573.db2.gz NNBZSDVAJLSPQV-HOTGVXAUSA-N 1 0 299.455 2.444 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000160092348 366971156 /nfs/dbraw/zinc/97/11/56/366971156.db2.gz DQJUZPXTPPBFEN-VIFPVBQESA-N 1 0 258.268 2.272 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCCCOc2cccc(C)c2)C1 ZINC000160575005 367018554 /nfs/dbraw/zinc/01/85/54/367018554.db2.gz GNTPFAAJLWURRI-OAHLLOKOSA-N 1 0 290.407 2.364 20 70 CEIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000160572314 367018681 /nfs/dbraw/zinc/01/86/81/367018681.db2.gz HIOZYMISJVPXGF-IHRRRGAJSA-N 1 0 270.417 2.038 20 70 CEIDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(=O)NCC(F)(F)F ZINC000160585368 367020053 /nfs/dbraw/zinc/02/00/53/367020053.db2.gz CMJOTBHBRPXIGY-VHSXEESVSA-N 1 0 268.323 2.469 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000160410907 367003100 /nfs/dbraw/zinc/00/31/00/367003100.db2.gz FNRQFFXAZCXBRB-ZDUSSCGKSA-N 1 0 278.396 2.396 20 70 CEIDRO CSC[C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160418929 367003927 /nfs/dbraw/zinc/00/39/27/367003927.db2.gz UVUXWYQVHXUNGI-KBPBESRZSA-N 1 0 299.484 2.398 20 70 CEIDRO CC[NH+](CC)CCN(CCOC)c1ccnc(C2CC2)n1 ZINC000160429289 367004610 /nfs/dbraw/zinc/00/46/10/367004610.db2.gz FOICNPKOVREURG-UHFFFAOYSA-N 1 0 292.427 2.149 20 70 CEIDRO CCOc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1OC ZINC000160467136 367008597 /nfs/dbraw/zinc/00/85/97/367008597.db2.gz BVMIZZDIHTUKTJ-UHFFFAOYSA-N 1 0 294.395 2.341 20 70 CEIDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)n1C ZINC000160475540 367009079 /nfs/dbraw/zinc/00/90/79/367009079.db2.gz JAMNJHWKDJDGNF-CQSZACIVSA-N 1 0 277.412 2.184 20 70 CEIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160554005 367017208 /nfs/dbraw/zinc/01/72/08/367017208.db2.gz CZTNKOCAQLSSGQ-RNCFNFMXSA-N 1 0 286.297 2.188 20 70 CEIDRO Cc1ccnc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000160878518 367039032 /nfs/dbraw/zinc/03/90/32/367039032.db2.gz BNLPBGHGFLAGNF-CQSZACIVSA-N 1 0 296.374 2.390 20 70 CEIDRO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2c(C)noc2C)CC1 ZINC000161029483 367050551 /nfs/dbraw/zinc/05/05/51/367050551.db2.gz ZECMNIMZRRROHD-ISAOAKOHSA-N 1 0 293.411 2.259 20 70 CEIDRO CC(=O)NC1CCC([NH2+]Cc2nccn2CC(C)C)CC1 ZINC000161030775 367051557 /nfs/dbraw/zinc/05/15/57/367051557.db2.gz GDOFJBAZQOGMLQ-UHFFFAOYSA-N 1 0 292.427 2.076 20 70 CEIDRO CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)CCO)c1ccccc1 ZINC000161087931 367055042 /nfs/dbraw/zinc/05/50/42/367055042.db2.gz VWQOYYPXTQSYSS-GDBMZVCRSA-N 1 0 292.423 2.204 20 70 CEIDRO C[C@H]1CCC[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)C1 ZINC000161157117 367062389 /nfs/dbraw/zinc/06/23/89/367062389.db2.gz RUKIWPHPVVPQGY-UBHSHLNASA-N 1 0 252.402 2.269 20 70 CEIDRO CC(C)c1ccc(C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000161169590 367063895 /nfs/dbraw/zinc/06/38/95/367063895.db2.gz IAYSJXMHAWWKKC-UHFFFAOYSA-N 1 0 263.385 2.275 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000161162730 367064530 /nfs/dbraw/zinc/06/45/30/367064530.db2.gz FCJZMXAEEZFSDO-RRFJBIMHSA-N 1 0 276.355 2.140 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccc(C)cc1 ZINC000161268624 367073190 /nfs/dbraw/zinc/07/31/90/367073190.db2.gz PWRASOSQMSEBQS-OAHLLOKOSA-N 1 0 288.391 2.168 20 70 CEIDRO COC(C[N@@H+]1CC[C@H](COCc2ccccc2)C1)OC ZINC000161279561 367074573 /nfs/dbraw/zinc/07/45/73/367074573.db2.gz LEIGJFQGRBFVCH-HNNXBMFYSA-N 1 0 279.380 2.144 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2cccc(OC(C)C)c2)C1 ZINC000160726999 367029754 /nfs/dbraw/zinc/02/97/54/367029754.db2.gz HGHUPPMEJYTZQY-KIUWMYQTSA-N 1 0 288.391 2.307 20 70 CEIDRO CCCC1(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000161376986 367082680 /nfs/dbraw/zinc/08/26/80/367082680.db2.gz BPPVIDAWXBTTNC-UHFFFAOYSA-N 1 0 293.415 2.147 20 70 CEIDRO CC[NH+]1CCC(NC(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000161399367 367084044 /nfs/dbraw/zinc/08/40/44/367084044.db2.gz PLJNYWHMSIXJPS-UHFFFAOYSA-N 1 0 296.798 2.189 20 70 CEIDRO CC(C)C[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000161475603 367089093 /nfs/dbraw/zinc/08/90/93/367089093.db2.gz VIHCFDJAAYPDFC-KGLIPLIRSA-N 1 0 252.402 2.413 20 70 CEIDRO COc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(OC)c1 ZINC000217696812 370200159 /nfs/dbraw/zinc/20/01/59/370200159.db2.gz USSUSKLNURVOFS-IRXDYDNUSA-N 1 0 290.407 2.420 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000160680007 532966761 /nfs/dbraw/zinc/96/67/61/532966761.db2.gz OJIRJMWWGSCAFV-TZMCWYRMSA-N 1 0 252.402 2.413 20 70 CEIDRO O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000159388214 395058187 /nfs/dbraw/zinc/05/81/87/395058187.db2.gz UFVYSVMEFUCFFN-LBPRGKRZSA-N 1 0 286.297 2.154 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000159384387 395058759 /nfs/dbraw/zinc/05/87/59/395058759.db2.gz WQGCWNRHSKCDPD-CWSCBRNRSA-N 1 0 280.318 2.079 20 70 CEIDRO C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C1CC[NH2+]CC1 ZINC000159881428 395059365 /nfs/dbraw/zinc/05/93/65/395059365.db2.gz NCQGTFGFPIAKNU-XHDPSFHLSA-N 1 0 258.365 2.036 20 70 CEIDRO C[C@@H]1CN(CCC[NH+]2CCCCC2)CC(C)(C)O1 ZINC000161293557 395063535 /nfs/dbraw/zinc/06/35/35/395063535.db2.gz NAENOEABTGGJGM-CQSZACIVSA-N 1 0 254.418 2.362 20 70 CEIDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCOCC)C1 ZINC000159881373 162316237 /nfs/dbraw/zinc/31/62/37/162316237.db2.gz LIBBCTNJEBMLEZ-CABCVRRESA-N 1 0 284.444 2.430 20 70 CEIDRO CN(C(=O)Nc1ccc(F)cc1F)[C@H](C[NH3+])C1CC1 ZINC000159905248 162319109 /nfs/dbraw/zinc/31/91/09/162319109.db2.gz JKPYIFDGGRHGSR-GFCCVEGCSA-N 1 0 269.295 2.166 20 70 CEIDRO COc1cccc(C[NH2+]CC2(CO)CCCC2)c1OC ZINC000160115902 162322573 /nfs/dbraw/zinc/32/25/73/162322573.db2.gz XDRNFOFNPBJXTJ-UHFFFAOYSA-N 1 0 279.380 2.346 20 70 CEIDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)cc1OC ZINC000160073990 162322669 /nfs/dbraw/zinc/32/26/69/162322669.db2.gz AQACWEFYVFQNIU-UHFFFAOYSA-N 1 0 279.380 2.346 20 70 CEIDRO COc1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160106426 162323359 /nfs/dbraw/zinc/32/33/59/162323359.db2.gz KMJROUMHEAMHIT-TXEJJXNPSA-N 1 0 294.782 2.315 20 70 CEIDRO CC(=O)Nc1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160115472 162323858 /nfs/dbraw/zinc/32/38/58/162323858.db2.gz ZDZZFNGHVNITBL-UHFFFAOYSA-N 1 0 276.380 2.287 20 70 CEIDRO c1ccc2c(c1)C[C@H]([NH2+]C1CCC3(CC1)OCCO3)CO2 ZINC000161448907 275070503 /nfs/dbraw/zinc/07/05/03/275070503.db2.gz OFLDPUSALNBVFU-HNNXBMFYSA-N 1 0 289.375 2.265 20 70 CEIDRO CN(C(=O)[C@@H]1CCCc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159900976 276740877 /nfs/dbraw/zinc/74/08/77/276740877.db2.gz GTZFSCAOBBSDFC-HZPDHXFCSA-N 1 0 272.392 2.302 20 70 CEIDRO COCC[C@H](C)[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000159965442 277239401 /nfs/dbraw/zinc/23/94/01/277239401.db2.gz SDPNNXQOOJLJJK-HZUKXOBISA-N 1 0 294.370 2.112 20 70 CEIDRO CO[C@@]1(C[NH2+][C@@H](C)CCc2ccc(O)cc2)CCOC1 ZINC000160139807 277703125 /nfs/dbraw/zinc/70/31/25/277703125.db2.gz USQBSGLGKRHQAA-XJKSGUPXSA-N 1 0 279.380 2.108 20 70 CEIDRO C[C@@]1(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC[NH2+]C1 ZINC000160341715 279153441 /nfs/dbraw/zinc/15/34/41/279153441.db2.gz AGURXJRMZAQSHU-CXAGYDPISA-N 1 0 288.391 2.405 20 70 CEIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)nc2C)C1 ZINC000160125152 280095468 /nfs/dbraw/zinc/09/54/68/280095468.db2.gz LXGLGLVYBFTXOD-LLVKDONJSA-N 1 0 281.787 2.115 20 70 CEIDRO Cc1cc(C)c(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000160123719 280095539 /nfs/dbraw/zinc/09/55/39/280095539.db2.gz DPOJAORAFSVPBE-HNNXBMFYSA-N 1 0 289.423 2.219 20 70 CEIDRO CCc1ncnc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000217993577 280209831 /nfs/dbraw/zinc/20/98/31/280209831.db2.gz DQYJDDDGGADKQA-NSHDSACASA-N 1 0 266.364 2.320 20 70 CEIDRO Cc1ccc(CCC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159821846 280803741 /nfs/dbraw/zinc/80/37/41/280803741.db2.gz WFUBZRWHETYJMB-HNNXBMFYSA-N 1 0 260.381 2.123 20 70 CEIDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160121734 297104891 /nfs/dbraw/zinc/10/48/91/297104891.db2.gz UELCANDHBUBLOA-NZYIEUEFSA-N 1 0 276.424 2.173 20 70 CEIDRO O[C@@H](C[NH2+]CCc1cccc2cccnc21)C(F)(F)F ZINC000159379175 297428664 /nfs/dbraw/zinc/42/86/64/297428664.db2.gz PCBRKPQOTYNFDS-LBPRGKRZSA-N 1 0 284.281 2.290 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1SCCc2sccc21 ZINC000160363419 303423477 /nfs/dbraw/zinc/42/34/77/303423477.db2.gz BVMJGJCRTVZWGU-SKDRFNHKSA-N 1 0 282.434 2.028 20 70 CEIDRO CS[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159687431 312633589 /nfs/dbraw/zinc/63/35/89/312633589.db2.gz JUMRISVGSRCGTO-STQMWFEESA-N 1 0 287.473 2.159 20 70 CEIDRO CS[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159687127 312633604 /nfs/dbraw/zinc/63/36/04/312633604.db2.gz JUMRISVGSRCGTO-QWHCGFSZSA-N 1 0 287.473 2.159 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cccc(OC)c1 ZINC000160428130 312638454 /nfs/dbraw/zinc/63/84/54/312638454.db2.gz HVCJLKMTGYGLRB-MDZDMXLPSA-N 1 0 276.380 2.342 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000160381841 519849073 /nfs/dbraw/zinc/84/90/73/519849073.db2.gz LVMMEANFMYBCGZ-AWEZNQCLSA-N 1 0 250.386 2.287 20 70 CEIDRO Cc1cccc(C(C)(C)NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000159645502 524229126 /nfs/dbraw/zinc/22/91/26/524229126.db2.gz PKEYWRXKURXCNY-AWEZNQCLSA-N 1 0 260.381 2.488 20 70 CEIDRO Cc1cccc(C)c1OCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160726250 524306031 /nfs/dbraw/zinc/30/60/31/524306031.db2.gz IYFIRUCXPXYRCQ-GASCZTMLSA-N 1 0 288.391 2.035 20 70 CEIDRO CSCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160389599 525434534 /nfs/dbraw/zinc/43/45/34/525434534.db2.gz IONYPLZQOMBFAR-CYBMUJFWSA-N 1 0 287.473 2.111 20 70 CEIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccccc2)CC1 ZINC000160562041 527448714 /nfs/dbraw/zinc/44/87/14/527448714.db2.gz XEYVXYUXSIXOHN-GASCZTMLSA-N 1 0 270.376 2.071 20 70 CEIDRO CCOCCC[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000160417224 528661687 /nfs/dbraw/zinc/66/16/87/528661687.db2.gz BLLVTHHCXHSENO-HNNXBMFYSA-N 1 0 254.418 2.363 20 70 CEIDRO C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000218300218 539286718 /nfs/dbraw/zinc/28/67/18/539286718.db2.gz ABQCDCCUTHFRDU-NXEZZACHSA-N 1 0 271.202 2.317 20 70 CEIDRO C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000159515096 344455307 /nfs/dbraw/zinc/45/53/07/344455307.db2.gz JLCIWXNRFWZYRS-NWDGAFQWSA-N 1 0 266.410 2.310 20 70 CEIDRO CCSCC[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160216774 344457673 /nfs/dbraw/zinc/45/76/73/344457673.db2.gz RAILPTOSGLNRSS-KOLCDFICSA-N 1 0 298.374 2.176 20 70 CEIDRO CCCCOCCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000160317850 344458405 /nfs/dbraw/zinc/45/84/05/344458405.db2.gz BTNODIBKAGGQFL-CQSZACIVSA-N 1 0 270.417 2.089 20 70 CEIDRO C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160653207 344460638 /nfs/dbraw/zinc/46/06/38/344460638.db2.gz KATIKZINILXEJV-DZGCQCFKSA-N 1 0 279.428 2.302 20 70 CEIDRO CCCOc1cccc(CC(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000160786640 188491760 /nfs/dbraw/zinc/49/17/60/188491760.db2.gz WBSNKBWNYBRRAQ-UHFFFAOYSA-N 1 0 292.423 2.474 20 70 CEIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000161410653 188525582 /nfs/dbraw/zinc/52/55/82/188525582.db2.gz ODFZIXBFEMUVGB-OCCSQVGLSA-N 1 0 264.369 2.454 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000160892092 540126354 /nfs/dbraw/zinc/12/63/54/540126354.db2.gz RSDNWKIOARBQJS-RNFRBKRXSA-N 1 0 290.260 2.243 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC000160741296 540121540 /nfs/dbraw/zinc/12/15/40/540121540.db2.gz CXGCVFWSRNUHBH-CQSZACIVSA-N 1 0 276.355 2.068 20 70 CEIDRO C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCOCC1 ZINC000160827186 540124575 /nfs/dbraw/zinc/12/45/75/540124575.db2.gz SREMOHYVGRVPIX-HZMBPMFUSA-N 1 0 296.798 2.271 20 70 CEIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cnn1-c1ccccc1 ZINC000160909976 540127545 /nfs/dbraw/zinc/12/75/45/540127545.db2.gz PSJXRIULYCFYMJ-KGLIPLIRSA-N 1 0 298.390 2.180 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC000161019408 540131345 /nfs/dbraw/zinc/13/13/45/540131345.db2.gz VXRAOYBKKSRBMD-CABCVRRESA-N 1 0 272.392 2.395 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000161037192 540131648 /nfs/dbraw/zinc/13/16/48/540131648.db2.gz SAAUZORQISVUDS-UONOGXRCSA-N 1 0 276.355 2.243 20 70 CEIDRO OCC1(C[NH2+]C2CCN(C3CC3)CC2)CCCCC1 ZINC000161487105 540138854 /nfs/dbraw/zinc/13/88/54/540138854.db2.gz NVUNBESGJUCKGZ-UHFFFAOYSA-N 1 0 266.429 2.146 20 70 CEIDRO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000161463188 540138248 /nfs/dbraw/zinc/13/82/48/540138248.db2.gz AATURBPPDXNJNS-ZMLRMANQSA-N 1 0 252.383 2.238 20 70 CEIDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C12CCCC2 ZINC000159865047 540434777 /nfs/dbraw/zinc/43/47/77/540434777.db2.gz UABPBRDZSCYCHF-CHWSQXEVSA-N 1 0 282.428 2.229 20 70 CEIDRO CC[C@H](C(=O)NC[C@H](OC)c1ccccc1Cl)[NH+](C)C ZINC000161396002 540812502 /nfs/dbraw/zinc/81/25/02/540812502.db2.gz NNCCFKBBFDYKPC-KGLIPLIRSA-N 1 0 298.814 2.484 20 70 CEIDRO C[C@@H]([NH2+]CCO)[C@H](C)c1nc2ccccc2s1 ZINC000159697264 366940227 /nfs/dbraw/zinc/94/02/27/366940227.db2.gz QGJKWQPZWKKUAB-VHSXEESVSA-N 1 0 250.367 2.370 20 70 CEIDRO COCCC1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000159786104 366947249 /nfs/dbraw/zinc/94/72/49/366947249.db2.gz UFWBIYIFOQOESJ-ZIAGYGMSSA-N 1 0 282.428 2.040 20 70 CEIDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)s1 ZINC000159750055 366944493 /nfs/dbraw/zinc/94/44/93/366944493.db2.gz ZWGBUFILSYDWLK-UHFFFAOYSA-N 1 0 252.383 2.144 20 70 CEIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1ncc[nH]1 ZINC000159368203 366906115 /nfs/dbraw/zinc/90/61/15/366906115.db2.gz RLSFIEBOUHZEAV-UHFFFAOYSA-N 1 0 272.396 2.410 20 70 CEIDRO O=C1NCCN1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159416729 366910149 /nfs/dbraw/zinc/91/01/49/366910149.db2.gz NUCJSPFCJWIYBI-UHFFFAOYSA-N 1 0 265.401 2.056 20 70 CEIDRO Cc1noc(Cl)c1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159480960 366918001 /nfs/dbraw/zinc/91/80/01/366918001.db2.gz YOLHKCDXVNLFDD-UHFFFAOYSA-N 1 0 299.802 2.347 20 70 CEIDRO CCCCNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159759732 366946397 /nfs/dbraw/zinc/94/63/97/366946397.db2.gz STZKGGYIWYEQCP-UHFFFAOYSA-N 1 0 283.441 2.312 20 70 CEIDRO CC[C@H]([NH3+])C(=O)NCCCCCOC1CCCCC1 ZINC000159534597 366924510 /nfs/dbraw/zinc/92/45/10/366924510.db2.gz HQPQMPGOALOBSP-AWEZNQCLSA-N 1 0 270.417 2.360 20 70 CEIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCC2 ZINC000159558636 366925707 /nfs/dbraw/zinc/92/57/07/366925707.db2.gz JVNTURLEVSYMMW-IHRRRGAJSA-N 1 0 282.428 2.214 20 70 CEIDRO CCS[C@H]1CCCCN(C(=O)[C@H]([NH3+])C(C)C)C1 ZINC000159766852 366946638 /nfs/dbraw/zinc/94/66/38/366946638.db2.gz JROAZFWNNXQALH-NWDGAFQWSA-N 1 0 258.431 2.104 20 70 CEIDRO COCCC1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000159583908 366930152 /nfs/dbraw/zinc/93/01/52/366930152.db2.gz GNRGWHRPHZWUBY-WMLDXEAASA-N 1 0 296.455 2.430 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CC(C)C ZINC000159597880 366931435 /nfs/dbraw/zinc/93/14/35/366931435.db2.gz SYKSOLDZQJACQG-CHWSQXEVSA-N 1 0 257.422 2.451 20 70 CEIDRO CNC(=O)[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159613136 366932086 /nfs/dbraw/zinc/93/20/86/366932086.db2.gz ZWNHWSAJXMYPDS-OAHLLOKOSA-N 1 0 288.391 2.026 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159634236 366934452 /nfs/dbraw/zinc/93/44/52/366934452.db2.gz PUHCYAIBMNKFJT-DZGCQCFKSA-N 1 0 260.381 2.389 20 70 CEIDRO C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159664965 366937563 /nfs/dbraw/zinc/93/75/63/366937563.db2.gz KPUPADBSCQDTBQ-YCPHGPKFSA-N 1 0 290.407 2.131 20 70 CEIDRO C[N@H+](CCCCCn1cccn1)C[C@H]1CCC[C@@H]1O ZINC000159836356 366952960 /nfs/dbraw/zinc/95/29/60/366952960.db2.gz XSEMWCDZTMMQBW-CABCVRRESA-N 1 0 265.401 2.146 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000159859423 366954955 /nfs/dbraw/zinc/95/49/55/366954955.db2.gz GAYYMPLESGMEGF-NWDGAFQWSA-N 1 0 255.406 2.203 20 70 CEIDRO C[N@H+](CC(=O)N(CC1CC1)CC1CC1)[C@@H]1CCSC1 ZINC000159993225 366963517 /nfs/dbraw/zinc/96/35/17/366963517.db2.gz IJWMBWFODHCPQV-CQSZACIVSA-N 1 0 282.453 2.072 20 70 CEIDRO CS[C@H](C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000160035247 366967149 /nfs/dbraw/zinc/96/71/49/366967149.db2.gz KJDXRHVQIPUCJD-GHMZBOCLSA-N 1 0 275.462 2.013 20 70 CEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160081328 366971557 /nfs/dbraw/zinc/97/15/57/366971557.db2.gz VUGMLXSFJORBMQ-DOMZBBRYSA-N 1 0 298.452 2.192 20 70 CEIDRO O=C([C@H]1CCC[NH2+]C1)N(CCc1cccc(F)c1)C1CC1 ZINC000160115143 366974841 /nfs/dbraw/zinc/97/48/41/366974841.db2.gz SYBPCQMDUXSPRY-AWEZNQCLSA-N 1 0 290.382 2.359 20 70 CEIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2ccccc21 ZINC000160209758 366983109 /nfs/dbraw/zinc/98/31/09/366983109.db2.gz OQSJHXKIJLDZCB-OCCSQVGLSA-N 1 0 251.395 2.378 20 70 CEIDRO CCC(CC)CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000160573781 367018094 /nfs/dbraw/zinc/01/80/94/367018094.db2.gz LZISCDFQCFBVMV-AWEZNQCLSA-N 1 0 269.433 2.406 20 70 CEIDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)o1 ZINC000160576417 367019754 /nfs/dbraw/zinc/01/97/54/367019754.db2.gz CLQWFXOEXMIDRM-PWSUYJOCSA-N 1 0 274.368 2.408 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)C1 ZINC000160613372 367022602 /nfs/dbraw/zinc/02/26/02/367022602.db2.gz GNDCELQIVZQVRJ-OAHLLOKOSA-N 1 0 295.386 2.491 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)NC1(c2cccc(F)c2)CC1 ZINC000160525265 367014038 /nfs/dbraw/zinc/01/40/38/367014038.db2.gz WQQACSAHXJKEDF-CYBMUJFWSA-N 1 0 262.328 2.073 20 70 CEIDRO CC[N@H+](CC(=O)NCCCSCC(C)C)C1CC1 ZINC000160871930 367040037 /nfs/dbraw/zinc/04/00/37/367040037.db2.gz LSJSWPNCXNLMJU-UHFFFAOYSA-N 1 0 272.458 2.366 20 70 CEIDRO CC[C@@H](C(=O)Nc1nc(C2CC2)cs1)[NH+](C)C ZINC000160895342 367041500 /nfs/dbraw/zinc/04/15/00/367041500.db2.gz NIPZPCNLPZZUTK-JTQLQIEISA-N 1 0 253.371 2.299 20 70 CEIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160972137 367046955 /nfs/dbraw/zinc/04/69/55/367046955.db2.gz JRCCPBIXRKPTKY-STQMWFEESA-N 1 0 278.396 2.301 20 70 CEIDRO CO[C@H]1CCN(Cc2c(C)cccc2C)[C@@H](C[NH3+])C1 ZINC000161004586 367047641 /nfs/dbraw/zinc/04/76/41/367047641.db2.gz JXZPFSOSXDNLGS-CABCVRRESA-N 1 0 262.397 2.242 20 70 CEIDRO CCc1ccc(CN2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000161019141 367049442 /nfs/dbraw/zinc/04/94/42/367049442.db2.gz RFFDEVSSZWLLEA-CVEARBPZSA-N 1 0 262.397 2.187 20 70 CEIDRO CO[C@H]1CCN(Cc2cc(C)cc(C)c2)[C@@H](C[NH3+])C1 ZINC000161010994 367050101 /nfs/dbraw/zinc/05/01/01/367050101.db2.gz UYVKLQBSUNJMAT-CVEARBPZSA-N 1 0 262.397 2.242 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000161065121 367053101 /nfs/dbraw/zinc/05/31/01/367053101.db2.gz QORJFTDQDPSZJB-YPMHNXCESA-N 1 0 274.389 2.495 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000161081482 367055144 /nfs/dbraw/zinc/05/51/44/367055144.db2.gz FKEJSUKNTAAFEM-UHFFFAOYSA-N 1 0 286.379 2.025 20 70 CEIDRO CCn1c(C[NH2+]C(C)(C)[C@H](C)O)nc2ccccc21 ZINC000161152940 367062818 /nfs/dbraw/zinc/06/28/18/367062818.db2.gz IBPZQQZNILGUCA-NSHDSACASA-N 1 0 261.369 2.305 20 70 CEIDRO CO[C@@H]1CCN(Cc2csc(C(C)C)n2)[C@@H](C[NH3+])C1 ZINC000161191328 367067331 /nfs/dbraw/zinc/06/73/31/367067331.db2.gz BIBMPIFGEICQIC-CHWSQXEVSA-N 1 0 283.441 2.205 20 70 CEIDRO CC[C@@H](C(=O)Nc1ccc(OC)cc1C)[NH+](C)C ZINC000161258577 367073444 /nfs/dbraw/zinc/07/34/44/367073444.db2.gz WNYFJHCMYNLHII-ZDUSSCGKSA-N 1 0 250.342 2.282 20 70 CEIDRO COc1ccnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161298889 367076118 /nfs/dbraw/zinc/07/61/18/367076118.db2.gz JMIPJYVMGJVQGS-ZDUSSCGKSA-N 1 0 278.400 2.265 20 70 CEIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)N3CCCCCC3)CC[C@@H]21 ZINC000160705669 367028079 /nfs/dbraw/zinc/02/80/79/367028079.db2.gz RJLVJWQBLOSNKS-CABCVRRESA-N 1 0 279.428 2.399 20 70 CEIDRO CC[C@](C)(O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000160762185 367033130 /nfs/dbraw/zinc/03/31/30/367033130.db2.gz WFNCNYWKSKFDDN-CJNGLKHVSA-N 1 0 284.444 2.020 20 70 CEIDRO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C[NH2+]CCOC ZINC000161386158 367082949 /nfs/dbraw/zinc/08/29/49/367082949.db2.gz PQMZEJOXKZNUAT-MRXNPFEDSA-N 1 0 292.423 2.011 20 70 CEIDRO CO[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000161413096 367085277 /nfs/dbraw/zinc/08/52/77/367085277.db2.gz XFPBDPPEAIHJDR-ZIAGYGMSSA-N 1 0 296.798 2.286 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNCc1cnn(-c2ccccc2)n1 ZINC000217398143 370195053 /nfs/dbraw/zinc/19/50/53/370195053.db2.gz JTOQOHLBBCUNNT-CQSZACIVSA-N 1 0 287.411 2.087 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000160732968 532957525 /nfs/dbraw/zinc/95/75/25/532957525.db2.gz SDCBSOXFMXLELL-CQSZACIVSA-N 1 0 290.407 2.183 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H](C)C1 ZINC000217409944 394454633 /nfs/dbraw/zinc/45/46/33/394454633.db2.gz ASYCXCNIPICXSJ-OLZOCXBDSA-N 1 0 255.406 2.158 20 70 CEIDRO CC(C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000159611258 395058854 /nfs/dbraw/zinc/05/88/54/395058854.db2.gz ROUQTQGHAGCEMI-CVEARBPZSA-N 1 0 274.408 2.451 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(-n2cnnn2)cc1 ZINC000159636866 395059419 /nfs/dbraw/zinc/05/94/19/395059419.db2.gz IVUKLVHSMXDWFI-AAEUAGOBSA-N 1 0 289.408 2.209 20 70 CEIDRO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000160833540 395061736 /nfs/dbraw/zinc/06/17/36/395061736.db2.gz WEMXNKMNPOCRQJ-SWLSCSKDSA-N 1 0 290.398 2.367 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000161098200 395063695 /nfs/dbraw/zinc/06/36/95/395063695.db2.gz CCKDHWSISVAKSD-HERUPUMHSA-N 1 0 264.344 2.303 20 70 CEIDRO COc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1OC ZINC000217660422 400307958 /nfs/dbraw/zinc/30/79/58/400307958.db2.gz IUUVGFGRPHOSMP-GJZGRUSLSA-N 1 0 290.407 2.420 20 70 CEIDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1(C)C ZINC000217895367 153297221 /nfs/dbraw/zinc/29/72/21/153297221.db2.gz VQAUZLGJARTXAE-KBPBESRZSA-N 1 0 276.380 2.079 20 70 CEIDRO COc1cc(OC)nc(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000159770131 162311788 /nfs/dbraw/zinc/31/17/88/162311788.db2.gz WDFCTXKYFCCNHC-GFCCVEGCSA-N 1 0 294.399 2.170 20 70 CEIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(-c2ccccc2)n[nH]1 ZINC000159707561 162313394 /nfs/dbraw/zinc/31/33/94/162313394.db2.gz AABYPEOIWOQRQW-TZMCWYRMSA-N 1 0 298.390 2.163 20 70 CEIDRO CN(Cc1cc(-c2ccco2)on1)[C@@H](C[NH3+])C1CC1 ZINC000159979333 162318503 /nfs/dbraw/zinc/31/85/03/162318503.db2.gz VHPPMPLVSOJYLT-LBPRGKRZSA-N 1 0 261.325 2.104 20 70 CEIDRO CCCCN(CC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160001923 162319304 /nfs/dbraw/zinc/31/93/04/162319304.db2.gz NBWGNYMIGLFCBA-DVOMOZLQSA-N 1 0 282.428 2.168 20 70 CEIDRO CC[C@H](C(=O)N1CCO[C@H](c2ccccc2C)C1)[NH+](C)C ZINC000159936406 162320586 /nfs/dbraw/zinc/32/05/86/162320586.db2.gz IMVOYTAFIWHNEH-CVEARBPZSA-N 1 0 290.407 2.235 20 70 CEIDRO C[C@@H]1C[C@@H](Nc2nnc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000160177143 162322426 /nfs/dbraw/zinc/32/24/26/162322426.db2.gz ZJURGEJTBHDMIL-RQJHMYQMSA-N 1 0 280.319 2.452 20 70 CEIDRO COC(=O)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160115740 162323083 /nfs/dbraw/zinc/32/30/83/162323083.db2.gz SVQMJBOUMLXZBK-UHFFFAOYSA-N 1 0 277.364 2.116 20 70 CEIDRO CN(CC(=O)NCCc1cccc(O)c1)Cc1ccccc1 ZINC000160222760 162325582 /nfs/dbraw/zinc/32/55/82/162325582.db2.gz LNSOFNUMABFPPU-UHFFFAOYSA-N 1 0 298.386 2.183 20 70 CEIDRO COc1cc(Cl)ccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160302120 165033205 /nfs/dbraw/zinc/03/32/05/165033205.db2.gz SMQBYBKWXZMHRS-TXEJJXNPSA-N 1 0 294.782 2.315 20 70 CEIDRO COC[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159914753 277244976 /nfs/dbraw/zinc/24/49/76/277244976.db2.gz JYJUULQPIKYQIF-KGLIPLIRSA-N 1 0 277.412 2.232 20 70 CEIDRO [NH3+][C@@H]1CC[C@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000159759382 295322028 /nfs/dbraw/zinc/32/20/28/295322028.db2.gz DKSCWYHMLZKFCA-WDEREUQCSA-N 1 0 262.328 2.058 20 70 CEIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160305803 297434549 /nfs/dbraw/zinc/43/45/49/297434549.db2.gz WIBKFQVYTFLSOV-UKRRQHHQSA-N 1 0 299.484 2.446 20 70 CEIDRO COc1ccc(OCCN(C)CC[NH+]2CCCC2)cc1 ZINC000161083523 297441425 /nfs/dbraw/zinc/44/14/25/297441425.db2.gz OWRJZVKOFGJPRD-UHFFFAOYSA-N 1 0 278.396 2.102 20 70 CEIDRO O[C@H](C1CC[NH+](C[C@H]2CCCCO2)CC1)C(F)(F)F ZINC000161314905 297443521 /nfs/dbraw/zinc/44/35/21/297443521.db2.gz UGPMSRACFHZEMR-VXGBXAGGSA-N 1 0 281.318 2.191 20 70 CEIDRO C[C@H](NC(=O)NC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000159867538 312634004 /nfs/dbraw/zinc/63/40/04/312634004.db2.gz QLNVKNJJJBNQPE-UPJWGTAASA-N 1 0 299.459 2.218 20 70 CEIDRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)C2CCOCC2)CC1 ZINC000160242329 312637665 /nfs/dbraw/zinc/63/76/65/312637665.db2.gz LQZJCQYOUXVDRV-CYBMUJFWSA-N 1 0 282.428 2.038 20 70 CEIDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2ccccc21 ZINC000160209896 312637830 /nfs/dbraw/zinc/63/78/30/312637830.db2.gz OQSJHXKIJLDZCB-JSGCOSHPSA-N 1 0 251.395 2.378 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000160358563 519850605 /nfs/dbraw/zinc/85/06/05/519850605.db2.gz VHAJNWXWKYGRIF-HNNXBMFYSA-N 1 0 290.407 2.398 20 70 CEIDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160865992 520727128 /nfs/dbraw/zinc/72/71/28/520727128.db2.gz WRFCXLKVFNXXFY-HNNXBMFYSA-N 1 0 286.423 2.498 20 70 CEIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)on1 ZINC000161326843 522419196 /nfs/dbraw/zinc/41/91/96/522419196.db2.gz WPHIYVGMCIXGGL-NEPJUHHUSA-N 1 0 279.384 2.260 20 70 CEIDRO Cc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000161005210 524599881 /nfs/dbraw/zinc/59/98/81/524599881.db2.gz RIWOCHPBXSKYKL-CQSZACIVSA-N 1 0 269.348 2.246 20 70 CEIDRO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000160914959 524683573 /nfs/dbraw/zinc/68/35/73/524683573.db2.gz GQLUAPDCEWGXDY-CQSZACIVSA-N 1 0 285.395 2.058 20 70 CEIDRO C[C@H](C(=O)N(C)Cc1cccn1C)[NH+]1CCCCCC1 ZINC000160401168 525941338 /nfs/dbraw/zinc/94/13/38/525941338.db2.gz PUBKXMOYZJXEHB-CQSZACIVSA-N 1 0 277.412 2.248 20 70 CEIDRO c1cc(CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccn1 ZINC000161398496 526420986 /nfs/dbraw/zinc/42/09/86/526420986.db2.gz ZYZUVBUQCXDCHO-HNNXBMFYSA-N 1 0 297.406 2.041 20 70 CEIDRO CCN(c1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000160355620 528928773 /nfs/dbraw/zinc/92/87/73/528928773.db2.gz ZVDSRYOIXHTYRP-MRXNPFEDSA-N 1 0 289.423 2.485 20 70 CEIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000159380266 344454322 /nfs/dbraw/zinc/45/43/22/344454322.db2.gz CGSHMKNDJQVXFR-HNNXBMFYSA-N 1 0 295.423 2.448 20 70 CEIDRO COc1cccc(CCC[NH+]2CCC(NC(C)=O)CC2)c1 ZINC000159869326 344456291 /nfs/dbraw/zinc/45/62/91/344456291.db2.gz KMDTVMPVQQKLNH-UHFFFAOYSA-N 1 0 290.407 2.228 20 70 CEIDRO CCC(CC)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000160568485 344459659 /nfs/dbraw/zinc/45/96/59/344459659.db2.gz JKYKWFILBXMDQA-ZDUSSCGKSA-N 1 0 255.406 2.158 20 70 CEIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000160107412 188455776 /nfs/dbraw/zinc/45/57/76/188455776.db2.gz WDQRYZSBBHTLLD-HZPDHXFCSA-N 1 0 268.360 2.408 20 70 CEIDRO Cc1cc(O[C@H](C)C(=O)NCCC[NH3+])ccc1C(C)C ZINC000160165324 188458059 /nfs/dbraw/zinc/45/80/59/188458059.db2.gz KFELTJGFBZZBSI-CYBMUJFWSA-N 1 0 278.396 2.351 20 70 CEIDRO CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160049962 188452749 /nfs/dbraw/zinc/45/27/49/188452749.db2.gz XQLIUVCGXWKXRJ-INIZCTEOSA-N 1 0 290.407 2.457 20 70 CEIDRO CNC(=O)C(C)(C)CNc1cc[nH+]c2ccccc12 ZINC000161109015 188508574 /nfs/dbraw/zinc/50/85/74/188508574.db2.gz XSOCZXGJPNXVMJ-UHFFFAOYSA-N 1 0 257.337 2.419 20 70 CEIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000161427063 188527081 /nfs/dbraw/zinc/52/70/81/188527081.db2.gz ZXHPBUKUFSNYGI-VXGBXAGGSA-N 1 0 296.436 2.434 20 70 CEIDRO CCc1cccc(OC[C@H](O)C[NH2+]CCOC(C)C)c1 ZINC000160203134 540113643 /nfs/dbraw/zinc/11/36/43/540113643.db2.gz UZJWNGBNYRPNOF-OAHLLOKOSA-N 1 0 281.396 2.003 20 70 CEIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000160245484 540113933 /nfs/dbraw/zinc/11/39/33/540113933.db2.gz BTAKJMHLVNTKIC-CQSZACIVSA-N 1 0 281.396 2.058 20 70 CEIDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000160651585 540120413 /nfs/dbraw/zinc/12/04/13/540120413.db2.gz INRKSXJEYYTRCB-JKSUJKDBSA-N 1 0 272.392 2.357 20 70 CEIDRO CC(C)(C)c1ncc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000160760122 540122547 /nfs/dbraw/zinc/12/25/47/540122547.db2.gz XABODZBVXBNVRV-VHSXEESVSA-N 1 0 281.425 2.440 20 70 CEIDRO C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCOCC1 ZINC000160826893 540124496 /nfs/dbraw/zinc/12/44/96/540124496.db2.gz SREMOHYVGRVPIX-IINYFYTJSA-N 1 0 296.798 2.271 20 70 CEIDRO Cc1cc(C)cc(OCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160865856 540125606 /nfs/dbraw/zinc/12/56/06/540125606.db2.gz CVHBPCHJVNLWEA-LSDHHAIUSA-N 1 0 290.407 2.458 20 70 CEIDRO Cc1cc(C)cc(OCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160866107 540125655 /nfs/dbraw/zinc/12/56/55/540125655.db2.gz CVHBPCHJVNLWEA-HUUCEWRRSA-N 1 0 290.407 2.458 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160877904 540126226 /nfs/dbraw/zinc/12/62/26/540126226.db2.gz PHFVDSAIMSETDK-STQMWFEESA-N 1 0 285.347 2.341 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000160963887 540128671 /nfs/dbraw/zinc/12/86/71/540128671.db2.gz ORUKRPRNQKYTDU-VHSXEESVSA-N 1 0 252.745 2.340 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000161438176 540137581 /nfs/dbraw/zinc/13/75/81/540137581.db2.gz UMBVPQIWIUEYDP-CQSZACIVSA-N 1 0 290.407 2.399 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(OC(F)F)c2)C1 ZINC000161181428 540135371 /nfs/dbraw/zinc/13/53/71/540135371.db2.gz NLQPHNCCXUTAKY-GHMZBOCLSA-N 1 0 284.306 2.288 20 70 CEIDRO COc1ccc2nc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc2c1 ZINC000161213449 540135401 /nfs/dbraw/zinc/13/54/01/540135401.db2.gz PZSCYBXBWQBLAV-QWHCGFSZSA-N 1 0 299.374 2.243 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000159730965 540430591 /nfs/dbraw/zinc/43/05/91/540430591.db2.gz CJVWLICNSCMHKG-HNNXBMFYSA-N 1 0 287.407 2.064 20 70 CEIDRO C[C@@H](C1CC1)[N@H+](CCCCS(C)(=O)=O)C1CC1 ZINC000161408732 540816975 /nfs/dbraw/zinc/81/69/75/540816975.db2.gz GLZFTZCRARQKSZ-NSHDSACASA-N 1 0 259.415 2.074 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000161433371 283858464 /nfs/dbraw/zinc/85/84/64/283858464.db2.gz BZLPJWXBFMRXET-AVGNSLFASA-N 1 0 268.426 2.015 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159704922 366941479 /nfs/dbraw/zinc/94/14/79/366941479.db2.gz WORDGSXFGKWGBZ-CYBMUJFWSA-N 1 0 278.421 2.411 20 70 CEIDRO CCc1ccc([C@H](NC(=O)[C@@H]([NH3+])COC)C(C)C)cc1 ZINC000159415106 366910858 /nfs/dbraw/zinc/91/08/58/366910858.db2.gz HMPRGTJAABVZMF-LSDHHAIUSA-N 1 0 278.396 2.036 20 70 CEIDRO [NH3+]C1(CNC(=O)c2cc(Cl)c[nH]2)CCCCC1 ZINC000159461569 366916170 /nfs/dbraw/zinc/91/61/70/366916170.db2.gz QLTDNGJLSDACMB-UHFFFAOYSA-N 1 0 255.749 2.060 20 70 CEIDRO [NH3+][C@H]1CC[C@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000159759108 366946191 /nfs/dbraw/zinc/94/61/91/366946191.db2.gz DKSCWYHMLZKFCA-QWRGUYRKSA-N 1 0 262.328 2.058 20 70 CEIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1O ZINC000159514687 366921257 /nfs/dbraw/zinc/92/12/57/366921257.db2.gz WHJVGXYNEIEXAL-MAZHCROVSA-N 1 0 289.375 2.448 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159558675 366925684 /nfs/dbraw/zinc/92/56/84/366925684.db2.gz DKEYHRIUZHWYMS-ONGXEEELSA-N 1 0 252.383 2.142 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000159628036 366933889 /nfs/dbraw/zinc/93/38/89/366933889.db2.gz AOPWPBHGWYZTHC-ZJRBINPNSA-N 1 0 276.355 2.425 20 70 CEIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000159627747 366934135 /nfs/dbraw/zinc/93/41/35/366934135.db2.gz AOPWPBHGWYZTHC-HAXFYCRJSA-N 1 0 276.355 2.425 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000160054858 366970189 /nfs/dbraw/zinc/97/01/89/366970189.db2.gz QIZDGFCOTPJUJA-UHFFFAOYSA-N 1 0 292.770 2.197 20 70 CEIDRO COCC[C@@H](C)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160140569 366976506 /nfs/dbraw/zinc/97/65/06/366976506.db2.gz FXXDFWQINHOIHP-CYBMUJFWSA-N 1 0 268.376 2.272 20 70 CEIDRO CC(C)[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160190546 366981364 /nfs/dbraw/zinc/98/13/64/366981364.db2.gz VCNAZBWDFOZTLL-CABCVRRESA-N 1 0 260.381 2.376 20 70 CEIDRO CCCOc1ccc(CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160294942 366992088 /nfs/dbraw/zinc/99/20/88/366992088.db2.gz YANHAWOULPYHCZ-OAHLLOKOSA-N 1 0 290.407 2.358 20 70 CEIDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N1CCCCCC1 ZINC000160667798 367025355 /nfs/dbraw/zinc/02/53/55/367025355.db2.gz HYIHIAYANARFCE-ZDUSSCGKSA-N 1 0 253.390 2.008 20 70 CEIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccnc(C2CC2)n1 ZINC000160424691 367004908 /nfs/dbraw/zinc/00/49/08/367004908.db2.gz KNPQJMLFJAIIQG-YPMHNXCESA-N 1 0 260.385 2.130 20 70 CEIDRO CCc1c(C(=O)NCC([NH3+])(CC)CC)[nH]c(C)c1C(C)=O ZINC000160475327 367009478 /nfs/dbraw/zinc/00/94/78/367009478.db2.gz PRHQELRUUAEGBU-UHFFFAOYSA-N 1 0 293.411 2.335 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccccc31)CC2 ZINC000160476946 367009780 /nfs/dbraw/zinc/00/97/80/367009780.db2.gz HLCWTSLPKNMQLS-UKRRQHHQSA-N 1 0 298.390 2.405 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000160546507 367015582 /nfs/dbraw/zinc/01/55/82/367015582.db2.gz VYFSDZSWTQITRE-UHFFFAOYSA-N 1 0 298.770 2.316 20 70 CEIDRO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)CCN3)CCCC1 ZINC000160842703 367037977 /nfs/dbraw/zinc/03/79/77/367037977.db2.gz XOZTVQMFVMKAMW-UHFFFAOYSA-N 1 0 287.407 2.259 20 70 CEIDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160919717 367043017 /nfs/dbraw/zinc/04/30/17/367043017.db2.gz NAKJRBNEVKCUEY-LLVKDONJSA-N 1 0 280.416 2.122 20 70 CEIDRO COC(C[N@H+](C)[C@@H](C)c1sc(C)nc1C)OC ZINC000161005560 367049937 /nfs/dbraw/zinc/04/99/37/367049937.db2.gz MTMWUXPOGIFENJ-VIFPVBQESA-N 1 0 258.387 2.372 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161039976 367051581 /nfs/dbraw/zinc/05/15/81/367051581.db2.gz FQKYGDOLHZLCOT-KKUMJFAQSA-N 1 0 292.379 2.045 20 70 CEIDRO CC(C)(CNC(=O)[C@H]1CSCN1)Cc1ccccc1 ZINC000161075215 367053170 /nfs/dbraw/zinc/05/31/70/367053170.db2.gz XXAAIFJYQMGIQY-CYBMUJFWSA-N 1 0 278.421 2.034 20 70 CEIDRO CC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CCOC1 ZINC000161141187 367061052 /nfs/dbraw/zinc/06/10/52/367061052.db2.gz NUKYGQIUGAOQPU-KGLIPLIRSA-N 1 0 277.364 2.363 20 70 CEIDRO Cc1ccc(C[C@H](C)N(C)C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000161157453 367062709 /nfs/dbraw/zinc/06/27/09/367062709.db2.gz MEHHWZKMOWDMOR-HOCLYGCPSA-N 1 0 274.408 2.384 20 70 CEIDRO COC(C[N@@H+]1CCCC[C@@H]1c1cccn1C)OC ZINC000161364567 367081765 /nfs/dbraw/zinc/08/17/65/367081765.db2.gz SZLXJSSLZIPEEV-CYBMUJFWSA-N 1 0 252.358 2.171 20 70 CEIDRO COc1ccc(CC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161228547 367070196 /nfs/dbraw/zinc/07/01/96/367070196.db2.gz FRHYKDVMQTYJHL-UHFFFAOYSA-N 1 0 290.407 2.275 20 70 CEIDRO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000161260110 367073116 /nfs/dbraw/zinc/07/31/16/367073116.db2.gz GHDIOZGHZNEFHX-JKSUJKDBSA-N 1 0 272.392 2.124 20 70 CEIDRO CCOC[C@@H](O)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000161291190 367075470 /nfs/dbraw/zinc/07/54/70/367075470.db2.gz KLOQPVIKUMJYMH-DZGCQCFKSA-N 1 0 267.369 2.133 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1nc2ccccc2o1 ZINC000161329789 367078237 /nfs/dbraw/zinc/07/82/37/367078237.db2.gz YRGHJSTWKCPXAH-BCPZQOPPSA-N 1 0 285.347 2.051 20 70 CEIDRO CC[NH2+]CCNCc1ccc(Br)cc1C ZINC000161321581 367078619 /nfs/dbraw/zinc/07/86/19/367078619.db2.gz YYUMLRXTOUQMMO-UHFFFAOYSA-N 1 0 271.202 2.457 20 70 CEIDRO CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160705853 367028897 /nfs/dbraw/zinc/02/88/97/367028897.db2.gz JTCFOKLNTIQXLB-KGLIPLIRSA-N 1 0 290.407 2.399 20 70 CEIDRO CC[C@H]([NH2+]CCCNC(C)=O)c1ccc(F)cc1 ZINC000160718679 367029275 /nfs/dbraw/zinc/02/92/75/367029275.db2.gz XPWUFNTWCDIHRB-AWEZNQCLSA-N 1 0 252.333 2.393 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000160775136 367033674 /nfs/dbraw/zinc/03/36/74/367033674.db2.gz KYRCHRULWKOBBZ-VIFPVBQESA-N 1 0 287.190 2.356 20 70 CEIDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416404 367084652 /nfs/dbraw/zinc/08/46/52/367084652.db2.gz LVSNZRRHCWWENS-HOTGVXAUSA-N 1 0 273.380 2.237 20 70 CEIDRO CO[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000161412724 367084772 /nfs/dbraw/zinc/08/47/72/367084772.db2.gz XFPBDPPEAIHJDR-KBPBESRZSA-N 1 0 296.798 2.286 20 70 CEIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc([S@@](C)=O)cc1 ZINC000161492461 367090498 /nfs/dbraw/zinc/09/04/98/367090498.db2.gz TWDPCBGPPNSGOI-BLVKFPJESA-N 1 0 280.437 2.169 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cc2c(c(OC)c1)OCO2 ZINC000217373995 370195442 /nfs/dbraw/zinc/19/54/42/370195442.db2.gz DQMVCWZWPFDODU-LBPRGKRZSA-N 1 0 294.395 2.244 20 70 CEIDRO COc1ccc(OC)c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217695359 370200114 /nfs/dbraw/zinc/20/01/14/370200114.db2.gz NCQNNKKFVAWBRG-CVEARBPZSA-N 1 0 290.407 2.420 20 70 CEIDRO Cn1ncc2c1CCC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217699690 370200236 /nfs/dbraw/zinc/20/02/36/370200236.db2.gz IELAOJMGYGPLMU-LZWOXQAQSA-N 1 0 274.412 2.014 20 70 CEIDRO CCOC(=O)c1ccc(NCC[N@H+](C)[C@@H](C)CC)nc1 ZINC000218275409 370208501 /nfs/dbraw/zinc/20/85/01/370208501.db2.gz WJVGULTTYLMDGC-LBPRGKRZSA-N 1 0 279.384 2.401 20 70 CEIDRO COc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1F ZINC000160357164 533009730 /nfs/dbraw/zinc/00/97/30/533009730.db2.gz KZACOOGOERRPFI-MWLCHTKSSA-N 1 0 266.316 2.148 20 70 CEIDRO Cc1cc(C)cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160586313 291841893 /nfs/dbraw/zinc/84/18/93/291841893.db2.gz CJNQXXGUVSGSFS-GASCZTMLSA-N 1 0 258.365 2.270 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000160732848 533030958 /nfs/dbraw/zinc/03/09/58/533030958.db2.gz SDCBSOXFMXLELL-AWEZNQCLSA-N 1 0 290.407 2.183 20 70 CEIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H](C)CO)CC2 ZINC000159562388 395058062 /nfs/dbraw/zinc/05/80/62/395058062.db2.gz FTSUYDXNCFIGBO-TYNCELHUSA-N 1 0 263.381 2.159 20 70 CEIDRO Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000160758067 395061467 /nfs/dbraw/zinc/06/14/67/395061467.db2.gz COXUNXFINYRHLN-LBPRGKRZSA-N 1 0 290.388 2.167 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160799527 395062206 /nfs/dbraw/zinc/06/22/06/395062206.db2.gz LTMHAFYEQOIUQB-VWPFQQQWSA-N 1 0 294.439 2.023 20 70 CEIDRO CC(C)CNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000161161865 395063294 /nfs/dbraw/zinc/06/32/94/395063294.db2.gz MHOIQKKTILOWLE-CYBMUJFWSA-N 1 0 267.417 2.301 20 70 CEIDRO COc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1O ZINC000217906073 153297860 /nfs/dbraw/zinc/29/78/60/153297860.db2.gz FMZRYEIHIHTZGC-JSGCOSHPSA-N 1 0 276.380 2.069 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000159753881 162313009 /nfs/dbraw/zinc/31/30/09/162313009.db2.gz CINGSCYBDRJYCS-CVEARBPZSA-N 1 0 287.407 2.280 20 70 CEIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159727794 162313526 /nfs/dbraw/zinc/31/35/26/162313526.db2.gz SCNLZMJOQXBCNA-WMZOPIPTSA-N 1 0 294.398 2.403 20 70 CEIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](C)CC2)c1C ZINC000159912301 162318334 /nfs/dbraw/zinc/31/83/34/162318334.db2.gz DHYLYDDMJRCVPQ-UHFFFAOYSA-N 1 0 293.415 2.207 20 70 CEIDRO Cc1cc(C)c(C)c(OCCC(=O)NCC(C)(C)[NH3+])c1 ZINC000159968882 162319159 /nfs/dbraw/zinc/31/91/59/162319159.db2.gz LJXRAWLRLQMRHP-UHFFFAOYSA-N 1 0 278.396 2.234 20 70 CEIDRO C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159897519 162320783 /nfs/dbraw/zinc/32/07/83/162320783.db2.gz PDYOOCIPNLHDNX-IINYFYTJSA-N 1 0 296.798 2.303 20 70 CEIDRO C[C@@H](CNC(=O)C(C)(C)C[NH3+])Sc1ccccc1 ZINC000161117434 260858158 /nfs/dbraw/zinc/85/81/58/260858158.db2.gz YQMFTGZOYLAJTC-NSHDSACASA-N 1 0 266.410 2.268 20 70 CEIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc(C)nn3C1)CC2 ZINC000160386486 274139108 /nfs/dbraw/zinc/13/91/08/274139108.db2.gz HNZOCAPNRRFGDH-XJKSGUPXSA-N 1 0 298.390 2.187 20 70 CEIDRO CCC[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000160935047 276036246 /nfs/dbraw/zinc/03/62/46/276036246.db2.gz KNZIXNQFWHPHJM-JSGCOSHPSA-N 1 0 272.458 2.496 20 70 CEIDRO CC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC000218588387 277098553 /nfs/dbraw/zinc/09/85/53/277098553.db2.gz BCICKPJBSLQACJ-XNRPHZJLSA-N 1 0 282.428 2.227 20 70 CEIDRO C[C@@H]1C[C@H](Nc2nnc(C(F)(F)F)s2)CC[N@@H+]1C ZINC000160176925 279000011 /nfs/dbraw/zinc/00/00/11/279000011.db2.gz ZJURGEJTBHDMIL-RNFRBKRXSA-N 1 0 280.319 2.452 20 70 CEIDRO CS[C@@H](C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000160035078 297432551 /nfs/dbraw/zinc/43/25/51/297432551.db2.gz KJDXRHVQIPUCJD-WDEREUQCSA-N 1 0 275.462 2.013 20 70 CEIDRO CCC[C@H](C(=O)Nc1cc(NC(C)=O)ccc1F)[NH+](C)C ZINC000161449483 297444853 /nfs/dbraw/zinc/44/48/53/297444853.db2.gz LUTJAAHEAKEPEM-CQSZACIVSA-N 1 0 295.358 2.453 20 70 CEIDRO CCCNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161352614 519867112 /nfs/dbraw/zinc/86/71/12/519867112.db2.gz GCFIMZLYLQNUNL-UHFFFAOYSA-N 1 0 295.471 2.101 20 70 CEIDRO CCCCOC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000160593207 520717339 /nfs/dbraw/zinc/71/73/39/520717339.db2.gz CGDCTLVXQZPXMJ-AWEZNQCLSA-N 1 0 282.428 2.278 20 70 CEIDRO CC[NH+]1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000161248760 521689618 /nfs/dbraw/zinc/68/96/18/521689618.db2.gz IRKWYYZLBCVXOC-UHFFFAOYSA-N 1 0 251.399 2.158 20 70 CEIDRO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(OC)OC)C2)c1 ZINC000161478711 522881008 /nfs/dbraw/zinc/88/10/08/522881008.db2.gz NNCSBBWBGCWXEL-GFCCVEGCSA-N 1 0 295.379 2.112 20 70 CEIDRO CCc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)oc1CC ZINC000160367424 523759280 /nfs/dbraw/zinc/75/92/80/523759280.db2.gz XEDPHJLXXLGGKD-GFCCVEGCSA-N 1 0 278.396 2.428 20 70 CEIDRO Cc1ccc(C)c(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160569592 524166471 /nfs/dbraw/zinc/16/64/71/524166471.db2.gz LJVJZOYPCHREOW-GASCZTMLSA-N 1 0 288.391 2.035 20 70 CEIDRO O[C@]12CCCC[C@H]1C[N@H+](CCO[C@@H]1CCCCO1)CC2 ZINC000160754677 526321664 /nfs/dbraw/zinc/32/16/64/526321664.db2.gz ZTTXZCNGWVFVMT-XHSDSOJGSA-N 1 0 283.412 2.157 20 70 CEIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC2(CCCC2)C1 ZINC000159584798 527390255 /nfs/dbraw/zinc/39/02/55/527390255.db2.gz MYSOLTRLBBIETL-OAHLLOKOSA-N 1 0 272.392 2.349 20 70 CEIDRO CC(C)CCO[C@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159627443 527772707 /nfs/dbraw/zinc/77/27/07/527772707.db2.gz GTTNNRDHSOFFLB-CYBMUJFWSA-N 1 0 270.417 2.215 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCC1CCCCC1 ZINC000160120347 527851285 /nfs/dbraw/zinc/85/12/85/527851285.db2.gz XPQROPKZTQYEHM-CPUCHLNUSA-N 1 0 294.439 2.215 20 70 CEIDRO CCO[C@H]1C[C@H](N(C)C(=O)C2(C[NH3+])CCCC2)C1(C)C ZINC000160500574 528127046 /nfs/dbraw/zinc/12/70/46/528127046.db2.gz BNLHFSUAJUASCP-STQMWFEESA-N 1 0 282.428 2.168 20 70 CEIDRO CCCCOCCC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000160285539 528586880 /nfs/dbraw/zinc/58/68/80/528586880.db2.gz CPCLKCUFQFEGSH-UONOGXRCSA-N 1 0 291.457 2.139 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000217950949 539229540 /nfs/dbraw/zinc/22/95/40/539229540.db2.gz RXYQTBPZLRBYDW-MJBXVCDLSA-N 1 0 250.386 2.310 20 70 CEIDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000159514849 344454941 /nfs/dbraw/zinc/45/49/41/344454941.db2.gz JLCIWXNRFWZYRS-RYUDHWBXSA-N 1 0 266.410 2.310 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)Cc1ccccc1F ZINC000160182508 344457565 /nfs/dbraw/zinc/45/75/65/344457565.db2.gz OHWVIYWWVXSJQU-CYBMUJFWSA-N 1 0 280.387 2.461 20 70 CEIDRO CC(C)CCSCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160833971 344461864 /nfs/dbraw/zinc/46/18/64/344461864.db2.gz AEYHXUYWNUXRSO-VXGBXAGGSA-N 1 0 258.431 2.152 20 70 CEIDRO CCCCN(CC)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000160002174 282773254 /nfs/dbraw/zinc/77/32/54/282773254.db2.gz NBWGNYMIGLFCBA-HEHGZKQESA-N 1 0 282.428 2.168 20 70 CEIDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCC[NH3+] ZINC000160096066 188455645 /nfs/dbraw/zinc/45/56/45/188455645.db2.gz LHGUMXLWCADSEA-UHFFFAOYSA-N 1 0 293.367 2.336 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccn1 ZINC000160850214 188494163 /nfs/dbraw/zinc/49/41/63/188494163.db2.gz YOXHFVDOIXODLY-RWMBFGLXSA-N 1 0 282.409 2.088 20 70 CEIDRO C[C@H]1CN(C(=O)C2([NH3+])CC2)CC[C@@H]1c1ccccc1 ZINC000161231266 188516313 /nfs/dbraw/zinc/51/63/13/188516313.db2.gz QMIANWNUSOQNAA-JSGCOSHPSA-N 1 0 258.365 2.130 20 70 CEIDRO Cc1cc(F)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1F ZINC000159678631 540101221 /nfs/dbraw/zinc/10/12/21/540101221.db2.gz OLGNCAPICMKXJC-PHIMTYICSA-N 1 0 280.318 2.240 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC000160497470 540117387 /nfs/dbraw/zinc/11/73/87/540117387.db2.gz YBRFTTLOGJKQSR-LBPRGKRZSA-N 1 0 274.364 2.052 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC000161070797 540132361 /nfs/dbraw/zinc/13/23/61/540132361.db2.gz ZLJNHBIDBHZICV-QWHCGFSZSA-N 1 0 258.365 2.175 20 70 CEIDRO C[C@H]1CN(C(=O)CC2([NH3+])CCC2)c2ccc(F)cc2O1 ZINC000161105031 540133101 /nfs/dbraw/zinc/13/31/01/540133101.db2.gz IMGASEGUDLCOGJ-JTQLQIEISA-N 1 0 278.327 2.211 20 70 CEIDRO COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161119933 540133675 /nfs/dbraw/zinc/13/36/75/540133675.db2.gz HCIXMWHTLREIME-CHWSQXEVSA-N 1 0 296.798 2.277 20 70 CEIDRO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCCC2 ZINC000161178018 540135281 /nfs/dbraw/zinc/13/52/81/540135281.db2.gz MYFIJPIEYJKDOG-BARDWOONSA-N 1 0 294.439 2.358 20 70 CEIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159505870 540413537 /nfs/dbraw/zinc/41/35/37/540413537.db2.gz SSWWVXFAIODXLV-ZNMIVQPWSA-N 1 0 258.365 2.437 20 70 CEIDRO NC(=O)[C@H]([NH2+]C1CC=CC1)c1ccc(Br)cc1 ZINC000160895205 540681407 /nfs/dbraw/zinc/68/14/07/540681407.db2.gz PRTAWKDCVZNLBC-GFCCVEGCSA-N 1 0 295.180 2.284 20 70 CEIDRO C[C@]([NH3+])(C(=O)N1C[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000159793531 291333625 /nfs/dbraw/zinc/33/36/25/291333625.db2.gz HWWUPXQHWSAFPF-XJKCOSOUSA-N 1 0 258.365 2.119 20 70 CEIDRO [NH3+]C1(CNC(=O)c2cc(-c3ccco3)on2)CCCCC1 ZINC000159730524 366943526 /nfs/dbraw/zinc/94/35/26/366943526.db2.gz KQZSFHRESYAYDZ-UHFFFAOYSA-N 1 0 289.335 2.326 20 70 CEIDRO CC(C)Oc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159432741 366913625 /nfs/dbraw/zinc/91/36/25/366913625.db2.gz CNIGPKCDEIQIDE-OKILXGFUSA-N 1 0 288.391 2.440 20 70 CEIDRO CCOc1ccccc1OCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000159451167 366914171 /nfs/dbraw/zinc/91/41/71/366914171.db2.gz DNAHFXZEGLXNHB-ZIAGYGMSSA-N 1 0 279.380 2.167 20 70 CEIDRO O=C(c1cccc2nc[nH]c21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159450818 366914530 /nfs/dbraw/zinc/91/45/30/366914530.db2.gz QBPLCKONXBTBTM-CYBMUJFWSA-N 1 0 298.390 2.263 20 70 CEIDRO [NH3+]C1(CNC(=O)CCC(=O)c2cccs2)CCCCC1 ZINC000159458044 366916819 /nfs/dbraw/zinc/91/68/19/366916819.db2.gz JUDKFGSIBLAXKY-UHFFFAOYSA-N 1 0 294.420 2.489 20 70 CEIDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000159481441 366918448 /nfs/dbraw/zinc/91/84/48/366918448.db2.gz KLKJNFOCCSDSGL-QWRGUYRKSA-N 1 0 288.326 2.077 20 70 CEIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159519554 366922182 /nfs/dbraw/zinc/92/21/82/366922182.db2.gz VDFBHNYLLSMMCU-FRRDWIJNSA-N 1 0 296.436 2.113 20 70 CEIDRO CC(C)c1ncc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)s1 ZINC000159523475 366922734 /nfs/dbraw/zinc/92/27/34/366922734.db2.gz ZYNPDVITEJYPQU-MNOVXSKESA-N 1 0 281.425 2.352 20 70 CEIDRO CCc1cccc(CC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000159529723 366923233 /nfs/dbraw/zinc/92/32/33/366923233.db2.gz GWPGUNQCEODBTA-UHFFFAOYSA-N 1 0 286.419 2.346 20 70 CEIDRO CCC[C@H](O)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000159558812 366926091 /nfs/dbraw/zinc/92/60/91/366926091.db2.gz WSFJUEDVLMSVST-CABCVRRESA-N 1 0 263.381 2.303 20 70 CEIDRO Cc1nc2ccccn2c1C[N@H+](C)C[C@H]1CCCO1 ZINC000159578335 366928750 /nfs/dbraw/zinc/92/87/50/366928750.db2.gz VOKVTEZUGDNPLK-CYBMUJFWSA-N 1 0 259.353 2.254 20 70 CEIDRO CCc1nnc(CN(Cc2cccnc2)C(C)C)[nH]1 ZINC000159596076 366929674 /nfs/dbraw/zinc/92/96/74/366929674.db2.gz NMEOQNDLMPRRQR-UHFFFAOYSA-N 1 0 259.357 2.173 20 70 CEIDRO C[NH+](C)[C@H](CNC(=O)CCc1ccc(F)cc1F)C1CC1 ZINC000159584902 366930047 /nfs/dbraw/zinc/93/00/47/366930047.db2.gz CDNPUTYUDQWRBU-OAHLLOKOSA-N 1 0 296.361 2.354 20 70 CEIDRO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159652060 366935556 /nfs/dbraw/zinc/93/55/56/366935556.db2.gz KJLJSHSVTHLYMH-RYUDHWBXSA-N 1 0 263.341 2.186 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000159769696 366947072 /nfs/dbraw/zinc/94/70/72/366947072.db2.gz MLZZXMKOIOJEMT-CYBMUJFWSA-N 1 0 269.433 2.452 20 70 CEIDRO CC[C@H](C(=O)NC[C@@H]1CCN(C)c2ccccc21)[NH+](C)C ZINC000159667533 366937905 /nfs/dbraw/zinc/93/79/05/366937905.db2.gz BETQVTNZYGAHHV-DZGCQCFKSA-N 1 0 289.423 2.067 20 70 CEIDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000159800482 366948872 /nfs/dbraw/zinc/94/88/72/366948872.db2.gz XPCFSTGULRLSAB-ZDUSSCGKSA-N 1 0 279.428 2.208 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159798076 366949140 /nfs/dbraw/zinc/94/91/40/366949140.db2.gz QGZZLIUXUWTJIU-OLZOCXBDSA-N 1 0 255.406 2.062 20 70 CEIDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC000159914644 366960000 /nfs/dbraw/zinc/96/00/00/366960000.db2.gz FVPQVNUFOQBMFM-OAHLLOKOSA-N 1 0 296.455 2.430 20 70 CEIDRO CC[C@@H](C)OCC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000159992280 366963399 /nfs/dbraw/zinc/96/33/99/366963399.db2.gz SORUKZGCQSWMAG-GDBMZVCRSA-N 1 0 292.423 2.091 20 70 CEIDRO CSc1ccc(C)c(C(=O)NCC(C)(C)[NH3+])c1 ZINC000160015013 366965227 /nfs/dbraw/zinc/96/52/27/366965227.db2.gz BQTQTJUHRAZMPK-UHFFFAOYSA-N 1 0 252.383 2.184 20 70 CEIDRO O=C([C@@H]1CCC[NH2+]C1)N(CCc1cccc(F)c1)C1CC1 ZINC000160115020 366974741 /nfs/dbraw/zinc/97/47/41/366974741.db2.gz SYBPCQMDUXSPRY-CQSZACIVSA-N 1 0 290.382 2.359 20 70 CEIDRO CN(Cc1ccc(-n2ccnc2)cc1)[C@H](C[NH3+])C1CC1 ZINC000160110261 366975335 /nfs/dbraw/zinc/97/53/35/366975335.db2.gz LBLGJTPJEOEJNM-MRXNPFEDSA-N 1 0 270.380 2.041 20 70 CEIDRO COC(C[N@H+](C)Cc1ccccc1N1CCCC1)OC ZINC000160342384 366997100 /nfs/dbraw/zinc/99/71/00/366997100.db2.gz RKORXIXBDGDTOW-UHFFFAOYSA-N 1 0 278.396 2.338 20 70 CEIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC000160185847 366981293 /nfs/dbraw/zinc/98/12/93/366981293.db2.gz BKVUEZLZCLAPTO-INIZCTEOSA-N 1 0 290.407 2.146 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@]1(C)CCCS1 ZINC000160235816 366985698 /nfs/dbraw/zinc/98/56/98/366985698.db2.gz AALMXUUIQRPITJ-OCCSQVGLSA-N 1 0 287.473 2.302 20 70 CEIDRO C[C@@H](CO)[NH2+]Cc1c(F)cccc1Br ZINC000160261255 366987534 /nfs/dbraw/zinc/98/75/34/366987534.db2.gz KTEOAYLREDSYCI-ZETCQYMHSA-N 1 0 262.122 2.059 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000160249861 366988093 /nfs/dbraw/zinc/98/80/93/366988093.db2.gz LEVXKGBMOBOIQL-GFCCVEGCSA-N 1 0 294.445 2.338 20 70 CEIDRO CCCOc1ccc(CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160295060 366992528 /nfs/dbraw/zinc/99/25/28/366992528.db2.gz YANHAWOULPYHCZ-HNNXBMFYSA-N 1 0 290.407 2.358 20 70 CEIDRO CC(C)(C)c1cnc(CNC(=O)C2([NH3+])CCCCC2)o1 ZINC000160644774 367023392 /nfs/dbraw/zinc/02/33/92/367023392.db2.gz XJCMLYQAKUAPTA-UHFFFAOYSA-N 1 0 279.384 2.250 20 70 CEIDRO CCC[NH+]1CCC(CNC(=O)NC2(C)CCC2)CC1 ZINC000160376604 367000821 /nfs/dbraw/zinc/00/08/21/367000821.db2.gz CLFHPKAJELNJCY-UHFFFAOYSA-N 1 0 267.417 2.350 20 70 CEIDRO CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)c1c(C)noc1C ZINC000160414080 367003270 /nfs/dbraw/zinc/00/32/70/367003270.db2.gz LIBIKWOALPRIJB-OCCSQVGLSA-N 1 0 281.400 2.445 20 70 CEIDRO COCC[N@H+](Cc1cn(C)nc1C)Cc1ccccc1 ZINC000160438764 367005364 /nfs/dbraw/zinc/00/53/64/367005364.db2.gz XFTWZZXYYBFING-UHFFFAOYSA-N 1 0 273.380 2.377 20 70 CEIDRO CC1(C)[C@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000160480743 367009258 /nfs/dbraw/zinc/00/92/58/367009258.db2.gz KJBHOXOIQMGTDK-IIYDPXPESA-N 1 0 294.439 2.168 20 70 CEIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1O ZINC000160472156 367009344 /nfs/dbraw/zinc/00/93/44/367009344.db2.gz UEASIJKLWCNVRK-LBPRGKRZSA-N 1 0 265.353 2.448 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000160487430 367010279 /nfs/dbraw/zinc/01/02/79/367010279.db2.gz SVCDAXJTCFFCHH-CYBMUJFWSA-N 1 0 278.396 2.396 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1OCC1CC1 ZINC000160526812 367013301 /nfs/dbraw/zinc/01/33/01/367013301.db2.gz KWPZHRZWXNWEBR-NSHDSACASA-N 1 0 262.353 2.269 20 70 CEIDRO COC(C[N@H+](C)CCCOc1ccc(F)cc1)OC ZINC000160529652 367013473 /nfs/dbraw/zinc/01/34/73/367013473.db2.gz LYCLZCNDSPQSMP-UHFFFAOYSA-N 1 0 271.332 2.145 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2oc3c(cccc3C)c2C)C1 ZINC000160799320 367035218 /nfs/dbraw/zinc/03/52/18/367035218.db2.gz LCWQOARKVCALSB-GFCCVEGCSA-N 1 0 272.348 2.484 20 70 CEIDRO C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H]1C ZINC000160911161 367042907 /nfs/dbraw/zinc/04/29/07/367042907.db2.gz WTLUSCLFTBHSRF-XKSGDERDSA-N 1 0 294.439 2.023 20 70 CEIDRO CC(C)[NH2+]CCC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000161003070 367047673 /nfs/dbraw/zinc/04/76/73/367047673.db2.gz ZCCDCAIHLPUIAM-UHFFFAOYSA-N 1 0 295.330 2.166 20 70 CEIDRO COCCC1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000161080020 367055060 /nfs/dbraw/zinc/05/50/60/367055060.db2.gz CCXXUPQGOCOILD-CQSZACIVSA-N 1 0 282.428 2.040 20 70 CEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC000161083663 367055656 /nfs/dbraw/zinc/05/56/56/367055656.db2.gz RIWOHEAJLYLKHD-CQSZACIVSA-N 1 0 275.396 2.419 20 70 CEIDRO CCC(CC)c1cc(CNC(=O)C[C@@H]2CCC[NH2+]2)on1 ZINC000161112077 367058087 /nfs/dbraw/zinc/05/80/87/367058087.db2.gz TVGLXJRKFYSCID-LBPRGKRZSA-N 1 0 279.384 2.337 20 70 CEIDRO COC(C[N@H+](C)CCc1ccc(Cl)cc1)OC ZINC000161109660 367058194 /nfs/dbraw/zinc/05/81/94/367058194.db2.gz FOTASUNQGCWARY-UHFFFAOYSA-N 1 0 257.761 2.433 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000161155911 367062232 /nfs/dbraw/zinc/06/22/32/367062232.db2.gz BBSXBIYINOAOAM-SECBINFHSA-N 1 0 285.771 2.360 20 70 CEIDRO CC1(O)CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000161192761 367067059 /nfs/dbraw/zinc/06/70/59/367067059.db2.gz KOXVYMBCXSOXTD-UHFFFAOYSA-N 1 0 271.364 2.219 20 70 CEIDRO CCOC[C@H](O)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000161291455 367076028 /nfs/dbraw/zinc/07/60/28/367076028.db2.gz KLOQPVIKUMJYMH-UKRRQHHQSA-N 1 0 267.369 2.133 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000161313546 367077391 /nfs/dbraw/zinc/07/73/91/367077391.db2.gz JRMOGSXKLNLGEE-ZDUSSCGKSA-N 1 0 263.385 2.127 20 70 CEIDRO CS[C@@H](C)CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000161380993 367082417 /nfs/dbraw/zinc/08/24/17/367082417.db2.gz GGKXNGCFUNEEMQ-OLZOCXBDSA-N 1 0 272.458 2.365 20 70 CEIDRO C[C@@H](CNC(=O)C[NH2+]CC1CC1)Oc1cccc(Cl)c1 ZINC000161400271 367083340 /nfs/dbraw/zinc/08/33/40/367083340.db2.gz VLZKBJPPSKNGBG-NSHDSACASA-N 1 0 296.798 2.223 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)N(Cc1ccccc1)CC(F)F ZINC000161484499 367090199 /nfs/dbraw/zinc/09/01/99/367090199.db2.gz XBSLMYIOYYVNAB-CYBMUJFWSA-N 1 0 282.334 2.422 20 70 CEIDRO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)C1CC1 ZINC000161490582 367090350 /nfs/dbraw/zinc/09/03/50/367090350.db2.gz WHJPJCFNXVNNPR-IAQYHMDHSA-N 1 0 296.436 2.434 20 70 CEIDRO CCOc1ccc(CNC(=O)NCC[NH+](CC)CC)cc1 ZINC000217300870 370193937 /nfs/dbraw/zinc/19/39/37/370193937.db2.gz NNYKZXZXRMPLLH-UHFFFAOYSA-N 1 0 293.411 2.226 20 70 CEIDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000217550003 370197205 /nfs/dbraw/zinc/19/72/05/370197205.db2.gz KWRPVOBNYWOCGE-CHWSQXEVSA-N 1 0 262.397 2.396 20 70 CEIDRO CCc1ncnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000217970391 370202317 /nfs/dbraw/zinc/20/23/17/370202317.db2.gz NLMJHLWCFBGLKA-JTQLQIEISA-N 1 0 264.348 2.074 20 70 CEIDRO CCc1nnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1CC ZINC000218130158 370205209 /nfs/dbraw/zinc/20/52/09/370205209.db2.gz AEUMXESPSPCSJQ-KBPBESRZSA-N 1 0 275.400 2.035 20 70 CEIDRO CCOC(=O)[C@H]1CCCCN1Cc1cccnc1C ZINC000161277241 249319432 /nfs/dbraw/zinc/31/94/32/249319432.db2.gz ZPNGJWMLCUXUNQ-CQSZACIVSA-N 1 0 262.353 2.308 20 70 CEIDRO CCC[NH+]1CCC(CNC(=O)C2(CCOC)CC2)CC1 ZINC000161175207 249319758 /nfs/dbraw/zinc/31/97/58/249319758.db2.gz NKTKJUVTSXTAFL-UHFFFAOYSA-N 1 0 282.428 2.041 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)CSc2ccccc2)C1 ZINC000160719967 533037017 /nfs/dbraw/zinc/03/70/17/533037017.db2.gz QOPWFEYRKDXPQQ-OLZOCXBDSA-N 1 0 278.421 2.235 20 70 CEIDRO CC1(C)Cc2cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c2O1 ZINC000217795414 394456057 /nfs/dbraw/zinc/45/60/57/394456057.db2.gz JJZHMEJCPHEADN-LLVKDONJSA-N 1 0 289.297 2.413 20 70 CEIDRO CCC(CC)n1nccc1C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000160701090 395061614 /nfs/dbraw/zinc/06/16/14/395061614.db2.gz RTQQUFUZIAOVKS-CQSZACIVSA-N 1 0 292.427 2.458 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000161059446 400284313 /nfs/dbraw/zinc/28/43/13/400284313.db2.gz BZNPGPHMFYMPKJ-ICCXJUOJSA-N 1 0 284.787 2.270 20 70 CEIDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1(C)C ZINC000217895148 153295220 /nfs/dbraw/zinc/29/52/20/153295220.db2.gz VQAUZLGJARTXAE-ZIAGYGMSSA-N 1 0 276.380 2.079 20 70 CEIDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1(C)C ZINC000217895207 153298949 /nfs/dbraw/zinc/29/89/49/153298949.db2.gz VQAUZLGJARTXAE-KGLIPLIRSA-N 1 0 276.380 2.079 20 70 CEIDRO CCCNC(=O)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218124195 153302320 /nfs/dbraw/zinc/30/23/20/153302320.db2.gz HPRVZJYWWSSRNI-UHFFFAOYSA-N 1 0 259.353 2.174 20 70 CEIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCC2 ZINC000159558510 286371312 /nfs/dbraw/zinc/37/13/12/286371312.db2.gz JVNTURLEVSYMMW-MELADBBJSA-N 1 0 282.428 2.214 20 70 CEIDRO CC[C@@H](COC)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159832975 286850532 /nfs/dbraw/zinc/85/05/32/286850532.db2.gz LXKXXJKEBRKTDA-PBHICJAKSA-N 1 0 276.424 2.448 20 70 CEIDRO O=C(CCC1CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159746511 162313748 /nfs/dbraw/zinc/31/37/48/162313748.db2.gz MEYAYXIHVPAIPJ-UHFFFAOYSA-N 1 0 250.386 2.167 20 70 CEIDRO CC(C)(CNC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000159707273 162313986 /nfs/dbraw/zinc/31/39/86/162313986.db2.gz YHMBHIOUSQSSFZ-AWEZNQCLSA-N 1 0 278.371 2.362 20 70 CEIDRO O=C([C@H]1CCC[NH2+]C1)N1CCC[C@@H]1COc1ccccc1 ZINC000159846899 162315720 /nfs/dbraw/zinc/31/57/20/162315720.db2.gz PZSPCVBGBXQDMH-LSDHHAIUSA-N 1 0 288.391 2.056 20 70 CEIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000159952128 162318579 /nfs/dbraw/zinc/31/85/79/162318579.db2.gz RXEIMFVLFHHILS-TUKIKUTGSA-N 1 0 276.355 2.282 20 70 CEIDRO COC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)C1CC1 ZINC000160109448 162322330 /nfs/dbraw/zinc/32/23/30/162322330.db2.gz ZRFUZCDPDVFYES-CQSZACIVSA-N 1 0 264.369 2.383 20 70 CEIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161070677 275597639 /nfs/dbraw/zinc/59/76/39/275597639.db2.gz BSPPDAZMYCADSC-HZSPNIEDSA-N 1 0 252.402 2.445 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000159972713 279142516 /nfs/dbraw/zinc/14/25/16/279142516.db2.gz DQXWSBYJAHAWOS-NEPJUHHUSA-N 1 0 294.443 2.367 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160080460 279393546 /nfs/dbraw/zinc/39/35/46/279393546.db2.gz HCPSNUPVMPMCLJ-QUBYGPBYSA-N 1 0 273.163 2.444 20 70 CEIDRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000161225360 281736491 /nfs/dbraw/zinc/73/64/91/281736491.db2.gz KLJNFSQOVPVRKF-KNIAUWFNSA-N 1 0 294.439 2.182 20 70 CEIDRO CCCN(CC[NH+](CC)CC)C(=O)NCC(F)(F)F ZINC000160534438 521659250 /nfs/dbraw/zinc/65/92/50/521659250.db2.gz OSRUCLVVSJZQFF-UHFFFAOYSA-N 1 0 283.338 2.312 20 70 CEIDRO CCc1nc2c(s1)[C@H]([NH2+]CC(C)(C)O)CCC2 ZINC000160620779 522479331 /nfs/dbraw/zinc/47/93/31/522479331.db2.gz PFYSIPDDFUAZIF-SECBINFHSA-N 1 0 254.399 2.443 20 70 CEIDRO Cc1cccc(OC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000161403537 524709280 /nfs/dbraw/zinc/70/92/80/524709280.db2.gz UPYSKBPUQAGFID-UHFFFAOYSA-N 1 0 276.380 2.412 20 70 CEIDRO Cc1c(C[NH2+]C2CCN(c3ccccc3)CC2)cnn1C ZINC000160764539 525724883 /nfs/dbraw/zinc/72/48/83/525724883.db2.gz VIIZPANRFFILBG-UHFFFAOYSA-N 1 0 284.407 2.487 20 70 CEIDRO c1cc(CC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccn1 ZINC000161398638 526421235 /nfs/dbraw/zinc/42/12/35/526421235.db2.gz ZYZUVBUQCXDCHO-OAHLLOKOSA-N 1 0 297.406 2.041 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CCCCC(=O)c1ccccc1 ZINC000159985622 527244939 /nfs/dbraw/zinc/24/49/39/527244939.db2.gz VHZTZEAYMOLGOZ-UHFFFAOYSA-N 1 0 276.380 2.283 20 70 CEIDRO Cc1nccn1CCCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000161450615 527393391 /nfs/dbraw/zinc/39/33/91/527393391.db2.gz UCNXLJBOOUIAFQ-HNNXBMFYSA-N 1 0 265.401 2.473 20 70 CEIDRO CC[C@H]([NH2+]CCO)c1ccccc1Br ZINC000159724101 529603561 /nfs/dbraw/zinc/60/35/61/529603561.db2.gz HFEZXOFRRNRTEJ-NSHDSACASA-N 1 0 258.159 2.482 20 70 CEIDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCCS(C)(=O)=O ZINC000161370251 539279456 /nfs/dbraw/zinc/27/94/56/539279456.db2.gz IJDWIFZYGKCITD-STQMWFEESA-N 1 0 261.431 2.322 20 70 CEIDRO COc1cccc(CCC[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000159856087 344455907 /nfs/dbraw/zinc/45/59/07/344455907.db2.gz CDYVTFWSKUIYHC-HNNXBMFYSA-N 1 0 290.407 2.358 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000160182362 344457748 /nfs/dbraw/zinc/45/77/48/344457748.db2.gz OHWVIYWWVXSJQU-ZDUSSCGKSA-N 1 0 280.387 2.461 20 70 CEIDRO CCCN(CC1CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160641567 344460231 /nfs/dbraw/zinc/46/02/31/344460231.db2.gz PNNVEMICORUHHA-OAHLLOKOSA-N 1 0 279.428 2.302 20 70 CEIDRO COc1cccc([C@H]2CCCN2Cc2nncn2C)c1 ZINC000160737223 344461144 /nfs/dbraw/zinc/46/11/44/344461144.db2.gz IVPZEJSHWQZERH-CQSZACIVSA-N 1 0 272.352 2.161 20 70 CEIDRO CC(C)CCSCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160834096 344461704 /nfs/dbraw/zinc/46/17/04/344461704.db2.gz AEYHXUYWNUXRSO-NEPJUHHUSA-N 1 0 258.431 2.152 20 70 CEIDRO COC(CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)OC ZINC000161357374 232253481 /nfs/dbraw/zinc/25/34/81/232253481.db2.gz CLNBKIRVVPCVRC-MRXNPFEDSA-N 1 0 292.423 2.202 20 70 CEIDRO CC(C)Cc1ccc(CC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160040788 188452696 /nfs/dbraw/zinc/45/26/96/188452696.db2.gz IBRWWXQRPYMZHE-UHFFFAOYSA-N 1 0 262.397 2.281 20 70 CEIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161073222 188506106 /nfs/dbraw/zinc/50/61/06/188506106.db2.gz QEVBHVBNDISLHF-GOEBONIOSA-N 1 0 292.423 2.347 20 70 CEIDRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccc(OC)c(OC)c1 ZINC000161369363 188523991 /nfs/dbraw/zinc/52/39/91/188523991.db2.gz JIWPDUMXYAAMOX-ZYHUDNBSSA-N 1 0 280.368 2.008 20 70 CEIDRO C[C@H]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1cccc(F)c1 ZINC000161488158 188531137 /nfs/dbraw/zinc/53/11/37/188531137.db2.gz FTMIPEKABYJWKW-LNSITVRQSA-N 1 0 276.355 2.345 20 70 CEIDRO COc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000161446787 540138436 /nfs/dbraw/zinc/13/84/36/540138436.db2.gz NQKTUUXRHHWADF-NEPJUHHUSA-N 1 0 292.379 2.012 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(OC(F)F)c2)C1 ZINC000161181200 540135098 /nfs/dbraw/zinc/13/50/98/540135098.db2.gz NLQPHNCCXUTAKY-WDEREUQCSA-N 1 0 284.306 2.288 20 70 CEIDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)C12CCCC2 ZINC000159864941 540434358 /nfs/dbraw/zinc/43/43/58/540434358.db2.gz UABPBRDZSCYCHF-STQMWFEESA-N 1 0 282.428 2.229 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H]1c2cc(F)ccc2C[C@H]1C ZINC000159433473 366912791 /nfs/dbraw/zinc/91/27/91/366912791.db2.gz MCTLDPONWNSJLS-WBMJQRKESA-N 1 0 280.387 2.227 20 70 CEIDRO CC(=O)c1csc(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159476309 366918129 /nfs/dbraw/zinc/91/81/29/366918129.db2.gz CFVUIPGLSVOLKF-UHFFFAOYSA-N 1 0 280.393 2.342 20 70 CEIDRO CCOc1cccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159505789 366920753 /nfs/dbraw/zinc/92/07/53/366920753.db2.gz LLXGZJZQIXAEOE-JSGCOSHPSA-N 1 0 276.380 2.171 20 70 CEIDRO Cc1cc(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)[nH]1 ZINC000159628026 366934112 /nfs/dbraw/zinc/93/41/12/366934112.db2.gz UHAWTOZBEOSWQS-UHFFFAOYSA-N 1 0 265.401 2.480 20 70 CEIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)c(C)o1 ZINC000159655709 366935464 /nfs/dbraw/zinc/93/54/64/366935464.db2.gz GJQJMXRNNHMQCT-UHFFFAOYSA-N 1 0 250.342 2.288 20 70 CEIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1)C(=O)OC ZINC000159666770 366937064 /nfs/dbraw/zinc/93/70/64/366937064.db2.gz HXMULWCTOLOWES-UHFFFAOYSA-N 1 0 292.379 2.194 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000159803499 366949336 /nfs/dbraw/zinc/94/93/36/366949336.db2.gz XKFLUVJTOMARKK-OBJOEFQTSA-N 1 0 278.371 2.386 20 70 CEIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)C1CC1 ZINC000159886194 366956229 /nfs/dbraw/zinc/95/62/29/366956229.db2.gz GWQODKSDZUHEFR-UHFFFAOYSA-N 1 0 281.425 2.017 20 70 CEIDRO C[N@H+](CCCCCn1cccn1)C[C@@H]1CCC[C@@H]1O ZINC000159836220 366953464 /nfs/dbraw/zinc/95/34/64/366953464.db2.gz XSEMWCDZTMMQBW-GJZGRUSLSA-N 1 0 265.401 2.146 20 70 CEIDRO CC(C)CNC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159917479 366959266 /nfs/dbraw/zinc/95/92/66/366959266.db2.gz DZEVVJIIFHHELX-UHFFFAOYSA-N 1 0 283.441 2.168 20 70 CEIDRO CCc1ccc(C(=O)CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000159991364 366964084 /nfs/dbraw/zinc/96/40/84/366964084.db2.gz BAVYCFRMJSYCJV-UHFFFAOYSA-N 1 0 276.380 2.065 20 70 CEIDRO Cc1ccc(C)c(OCCN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160095048 366973986 /nfs/dbraw/zinc/97/39/86/366973986.db2.gz AUNXIEKQKUNMRS-HNNXBMFYSA-N 1 0 262.397 2.351 20 70 CEIDRO CSc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160186506 366980742 /nfs/dbraw/zinc/98/07/42/366980742.db2.gz PINTZEDDEQVHKW-NWDGAFQWSA-N 1 0 294.420 2.126 20 70 CEIDRO CC(C)[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160190409 366981486 /nfs/dbraw/zinc/98/14/86/366981486.db2.gz VCNAZBWDFOZTLL-HUUCEWRRSA-N 1 0 260.381 2.376 20 70 CEIDRO CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160327843 366995388 /nfs/dbraw/zinc/99/53/88/366995388.db2.gz KEYZDOUFECGDOD-JSGCOSHPSA-N 1 0 276.380 2.427 20 70 CEIDRO C[N@@H+]1CCN(C(=O)NC2CCCCC2)CC1(C)C ZINC000160573997 367018138 /nfs/dbraw/zinc/01/81/38/367018138.db2.gz BCXBYWBAPYHWRT-UHFFFAOYSA-N 1 0 253.390 2.055 20 70 CEIDRO CSC[C@@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160419052 367004257 /nfs/dbraw/zinc/00/42/57/367004257.db2.gz UVUXWYQVHXUNGI-KGLIPLIRSA-N 1 0 299.484 2.398 20 70 CEIDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N1CCCCCC1 ZINC000160667676 367024965 /nfs/dbraw/zinc/02/49/65/367024965.db2.gz HYIHIAYANARFCE-CYBMUJFWSA-N 1 0 253.390 2.008 20 70 CEIDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160893602 367041466 /nfs/dbraw/zinc/04/14/66/367041466.db2.gz APWSXYPUAGHQAA-KCQAQPDRSA-N 1 0 260.381 2.294 20 70 CEIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160906010 367042794 /nfs/dbraw/zinc/04/27/94/367042794.db2.gz KZMLNOFWXZDZPU-BMFZPTHFSA-N 1 0 272.392 2.391 20 70 CEIDRO CC(C)(CNC(=O)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000161076432 367053046 /nfs/dbraw/zinc/05/30/46/367053046.db2.gz ULVATZJAQQWINK-HNNXBMFYSA-N 1 0 274.408 2.371 20 70 CEIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000161075707 367053587 /nfs/dbraw/zinc/05/35/87/367053587.db2.gz SYVDJQOMPSMKHL-HIFRSBDPSA-N 1 0 252.402 2.271 20 70 CEIDRO CCn1c(C[NH2+]C(C)(C)[C@@H](C)O)nc2ccccc21 ZINC000161152807 367062826 /nfs/dbraw/zinc/06/28/26/367062826.db2.gz IBPZQQZNILGUCA-LLVKDONJSA-N 1 0 261.369 2.305 20 70 CEIDRO Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161170162 367063503 /nfs/dbraw/zinc/06/35/03/367063503.db2.gz XIQRHKFWYBXXMI-DZGCQCFKSA-N 1 0 260.381 2.214 20 70 CEIDRO C[N@H+](CCOc1ccccc1F)CCn1ccnc1 ZINC000161317645 367076966 /nfs/dbraw/zinc/07/69/66/367076966.db2.gz WYNZIOQFFVKOFS-UHFFFAOYSA-N 1 0 263.316 2.033 20 70 CEIDRO O[C@H](C1CC[NH+](C[C@@H]2CCCCO2)CC1)C(F)(F)F ZINC000161314779 367077433 /nfs/dbraw/zinc/07/74/33/367077433.db2.gz UGPMSRACFHZEMR-NWDGAFQWSA-N 1 0 281.318 2.191 20 70 CEIDRO CC[NH2+]CCNCc1ccccc1Br ZINC000161320144 367078561 /nfs/dbraw/zinc/07/85/61/367078561.db2.gz NJILIXYONCVVRS-UHFFFAOYSA-N 1 0 257.175 2.148 20 70 CEIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000161410903 367084104 /nfs/dbraw/zinc/08/41/04/367084104.db2.gz ODFZIXBFEMUVGB-TZMCWYRMSA-N 1 0 264.369 2.454 20 70 CEIDRO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416632 367085357 /nfs/dbraw/zinc/08/53/57/367085357.db2.gz LVSNZRRHCWWENS-CVEARBPZSA-N 1 0 273.380 2.237 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000161440324 367086538 /nfs/dbraw/zinc/08/65/38/367086538.db2.gz GFWLOSBUHCBQFJ-KGLIPLIRSA-N 1 0 288.391 2.011 20 70 CEIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C)c2F)C1 ZINC000161485093 367090584 /nfs/dbraw/zinc/09/05/84/367090584.db2.gz KATHBNARZWTJDA-GFCCVEGCSA-N 1 0 264.344 2.206 20 70 CEIDRO CC1CCN(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000160678326 395061913 /nfs/dbraw/zinc/06/19/13/395061913.db2.gz CQUBXOXJYTYRNP-AWEZNQCLSA-N 1 0 265.401 2.008 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000161178398 395063424 /nfs/dbraw/zinc/06/34/24/395063424.db2.gz LVSDWBXGWMZTCW-KGLIPLIRSA-N 1 0 284.444 2.463 20 70 CEIDRO O=C(NCc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000217402588 153295745 /nfs/dbraw/zinc/29/57/45/153295745.db2.gz FYVUCPLCMPXLOU-HNNXBMFYSA-N 1 0 273.380 2.066 20 70 CEIDRO CCn1cc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000217451049 153297718 /nfs/dbraw/zinc/29/77/18/153297718.db2.gz ZOWTXOLCNGYSOS-QEJZJMRPSA-N 1 0 262.401 2.180 20 70 CEIDRO COc1ccc([C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159970024 162317974 /nfs/dbraw/zinc/31/79/74/162317974.db2.gz LAXHPLPYIWROSJ-YUELXQCFSA-N 1 0 288.391 2.152 20 70 CEIDRO COc1cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])cc2c1OCO2 ZINC000159980821 162318366 /nfs/dbraw/zinc/31/83/66/162318366.db2.gz AGFYDPQVMWRJQW-WCQYABFASA-N 1 0 292.379 2.126 20 70 CEIDRO CC(=O)NCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159962049 162320239 /nfs/dbraw/zinc/32/02/39/162320239.db2.gz MDOJXJVWYVZMPC-HNNXBMFYSA-N 1 0 261.369 2.053 20 70 CEIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160521116 274117581 /nfs/dbraw/zinc/11/75/81/274117581.db2.gz KBHNVRJZZMECLD-FZMZJTMJSA-N 1 0 286.379 2.261 20 70 CEIDRO CC(C)c1ccc(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000160055846 276054781 /nfs/dbraw/zinc/05/47/81/276054781.db2.gz JTDXDVRJMUHKCW-MRXNPFEDSA-N 1 0 289.423 2.418 20 70 CEIDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000160110072 279278429 /nfs/dbraw/zinc/27/84/29/279278429.db2.gz VWHCIXKFANAVIS-CABCVRRESA-N 1 0 294.439 2.469 20 70 CEIDRO C[C@]1(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC[NH2+]C1 ZINC000160341867 280148713 /nfs/dbraw/zinc/14/87/13/280148713.db2.gz AGURXJRMZAQSHU-GUYCJALGSA-N 1 0 288.391 2.405 20 70 CEIDRO C[NH2+]CCN(C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000216702881 280208849 /nfs/dbraw/zinc/20/88/49/280208849.db2.gz ZJTQDOBHUSZRFG-YVMONPNESA-N 1 0 252.745 2.031 20 70 CEIDRO CC[C@H](C(=O)N1CCOC2(C1)CCCCCC2)[NH+](C)C ZINC000161247447 280667837 /nfs/dbraw/zinc/66/78/37/280667837.db2.gz CAAGYBIUNUFNHK-CQSZACIVSA-N 1 0 282.428 2.278 20 70 CEIDRO [NH3+]CCC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161009992 295224900 /nfs/dbraw/zinc/22/49/00/295224900.db2.gz NEIWWVHXAOZEIN-LBPRGKRZSA-N 1 0 284.812 2.305 20 70 CEIDRO CC(C)n1cc2cc(NC(=O)CCC[NH3+])ccc2n1 ZINC000160070175 297432862 /nfs/dbraw/zinc/43/28/62/297432862.db2.gz WLGOZGLCLKSOLL-UHFFFAOYSA-N 1 0 260.341 2.295 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000160492049 297437167 /nfs/dbraw/zinc/43/71/67/297437167.db2.gz AIELBAJPQKESRA-SOFGYWHQSA-N 1 0 288.391 2.268 20 70 CEIDRO CC1(C)C[C@@H]([NH2+]Cc2nccn2CC(F)(F)F)CCO1 ZINC000160581236 297438091 /nfs/dbraw/zinc/43/80/91/297438091.db2.gz AYDWYPNRTQLIPP-JTQLQIEISA-N 1 0 291.317 2.493 20 70 CEIDRO CCC[NH+]1CCC(NC(=O)[C@H](C)C2CCOCC2)CC1 ZINC000159750715 312633502 /nfs/dbraw/zinc/63/35/02/312633502.db2.gz WDTIDGBJPFBPOX-CYBMUJFWSA-N 1 0 282.428 2.040 20 70 CEIDRO Cc1cc(CN(C)C(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC000159972806 312636425 /nfs/dbraw/zinc/63/64/25/312636425.db2.gz IBBOCGJDKJVKFZ-UHFFFAOYSA-N 1 0 287.363 2.317 20 70 CEIDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1sccc1Br ZINC000160678917 312639164 /nfs/dbraw/zinc/63/91/64/312639164.db2.gz BICIEKJQMCXDQG-BQBZGAKWSA-N 1 0 291.214 2.425 20 70 CEIDRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160407097 521062465 /nfs/dbraw/zinc/06/24/65/521062465.db2.gz ZKDQKSJQRWBTIF-GOEBONIOSA-N 1 0 297.487 2.343 20 70 CEIDRO CCOCCC1(C(=O)NC[C@H](C)[NH+](CC)CC)CCC1 ZINC000161440205 521680448 /nfs/dbraw/zinc/68/04/48/521680448.db2.gz KFILYOVHUPJDDM-AWEZNQCLSA-N 1 0 284.444 2.430 20 70 CEIDRO CCn1cc([C@@H](C)[NH2+]C[C@H]2CCCCN2CC)cn1 ZINC000161189689 523455521 /nfs/dbraw/zinc/45/55/21/523455521.db2.gz RIMQPLSKJSXPKP-UKRRQHHQSA-N 1 0 264.417 2.428 20 70 CEIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160866985 524316699 /nfs/dbraw/zinc/31/66/99/524316699.db2.gz LKMDPQVYVVHBBT-JSGCOSHPSA-N 1 0 279.428 2.443 20 70 CEIDRO Cc1ccn(-c2ccccc2NC(=O)C[N@@H+](C)C(C)C)n1 ZINC000161331007 525563984 /nfs/dbraw/zinc/56/39/84/525563984.db2.gz SGPOQNZKKPDPGT-UHFFFAOYSA-N 1 0 286.379 2.459 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cccnc1 ZINC000160918798 525623718 /nfs/dbraw/zinc/62/37/18/525623718.db2.gz XLXMVKXYMAXYLC-QEJZJMRPSA-N 1 0 262.353 2.070 20 70 CEIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000160399676 525641703 /nfs/dbraw/zinc/64/17/03/525641703.db2.gz UPYFSEWUCZTTOE-CMPLNLGQSA-N 1 0 283.393 2.180 20 70 CEIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000160399443 525699944 /nfs/dbraw/zinc/69/99/44/525699944.db2.gz UPYFSEWUCZTTOE-JQWIXIFHSA-N 1 0 283.393 2.180 20 70 CEIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cn1 ZINC000160607863 525745367 /nfs/dbraw/zinc/74/53/67/525745367.db2.gz QUKKXZUAKHJXBT-MRVPVSSYSA-N 1 0 273.174 2.093 20 70 CEIDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160594534 525834972 /nfs/dbraw/zinc/83/49/72/525834972.db2.gz CPTSYLLELXLLSF-DTWKUNHWSA-N 1 0 273.174 2.093 20 70 CEIDRO CCCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159880238 528433673 /nfs/dbraw/zinc/43/36/73/528433673.db2.gz ATZFCEKWBYVOCW-ZDUSSCGKSA-N 1 0 277.412 2.099 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1cccc3C)CC2 ZINC000160338626 282119201 /nfs/dbraw/zinc/11/92/01/282119201.db2.gz CMVJYJOZJWXYAT-BBRMVZONSA-N 1 0 282.391 2.487 20 70 CEIDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160070114 529689879 /nfs/dbraw/zinc/68/98/79/529689879.db2.gz HDBGWBDRIFNRKM-LBPRGKRZSA-N 1 0 295.393 2.333 20 70 CEIDRO CN(CCC[NH+]1CCCCC1)Cc1cscn1 ZINC000160694855 529886777 /nfs/dbraw/zinc/88/67/77/529886777.db2.gz VMCFUNOTJLHAGS-UHFFFAOYSA-N 1 0 253.415 2.451 20 70 CEIDRO CN(CC[N@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000160086788 529904343 /nfs/dbraw/zinc/90/43/43/529904343.db2.gz WCPBBQBQISSUST-UHFFFAOYSA-N 1 0 262.397 2.360 20 70 CEIDRO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1nccs1 ZINC000159456130 344455155 /nfs/dbraw/zinc/45/51/55/344455155.db2.gz VDGCVKGADNMYOA-VXGBXAGGSA-N 1 0 296.440 2.235 20 70 CEIDRO CCC(CC)CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000160584087 344459635 /nfs/dbraw/zinc/45/96/35/344459635.db2.gz WZXIVRCOYDFTAI-AWEZNQCLSA-N 1 0 269.433 2.404 20 70 CEIDRO Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159611080 188434028 /nfs/dbraw/zinc/43/40/28/188434028.db2.gz DECWCLAZOKGACB-HIFRSBDPSA-N 1 0 276.380 2.026 20 70 CEIDRO OCC1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCCC1 ZINC000160095153 188455393 /nfs/dbraw/zinc/45/53/93/188455393.db2.gz QNFIGYXKPJQHBK-UHFFFAOYSA-N 1 0 277.364 2.100 20 70 CEIDRO C[NH2+]CCC(=O)Nc1ccc(F)c(Br)c1 ZINC000159960147 188449247 /nfs/dbraw/zinc/44/92/47/188449247.db2.gz JAFNPTPWMSCWFQ-UHFFFAOYSA-N 1 0 275.121 2.136 20 70 CEIDRO CCc1ccc(C(C)(C)C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160635106 188484396 /nfs/dbraw/zinc/48/43/96/188484396.db2.gz ZEUPDDYTAPMJTB-OAHLLOKOSA-N 1 0 274.408 2.347 20 70 CEIDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000160196832 540113484 /nfs/dbraw/zinc/11/34/84/540113484.db2.gz AJNOSVMSWYHYAQ-ZDUSSCGKSA-N 1 0 287.787 2.094 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC000160497329 540117645 /nfs/dbraw/zinc/11/76/45/540117645.db2.gz YBRFTTLOGJKQSR-GFCCVEGCSA-N 1 0 274.364 2.052 20 70 CEIDRO CC(C)(C)c1ncc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000160760532 540122358 /nfs/dbraw/zinc/12/23/58/540122358.db2.gz XABODZBVXBNVRV-ZJUUUORDSA-N 1 0 281.425 2.440 20 70 CEIDRO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000160818983 540124333 /nfs/dbraw/zinc/12/43/33/540124333.db2.gz UJYDALRWDSIDIV-UONOGXRCSA-N 1 0 278.371 2.489 20 70 CEIDRO Cc1ccc(OCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000160865569 540125669 /nfs/dbraw/zinc/12/56/69/540125669.db2.gz SMDDZDZURAQZJG-CABCVRRESA-N 1 0 290.407 2.458 20 70 CEIDRO Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161047182 540131659 /nfs/dbraw/zinc/13/16/59/540131659.db2.gz XEJSFNLEZBRZBN-ZIAGYGMSSA-N 1 0 298.390 2.180 20 70 CEIDRO Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161047298 540131664 /nfs/dbraw/zinc/13/16/64/540131664.db2.gz XEJSFNLEZBRZBN-KGLIPLIRSA-N 1 0 298.390 2.180 20 70 CEIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000161318036 540136979 /nfs/dbraw/zinc/13/69/79/540136979.db2.gz ZHTOAJYXWRXORL-WDEREUQCSA-N 1 0 250.317 2.134 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(OC(F)F)c2)C1 ZINC000161181535 540135230 /nfs/dbraw/zinc/13/52/30/540135230.db2.gz NLQPHNCCXUTAKY-MNOVXSKESA-N 1 0 284.306 2.288 20 70 CEIDRO C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161489900 540138832 /nfs/dbraw/zinc/13/88/32/540138832.db2.gz MYXYOOSIBBSBFV-GARJFASQSA-N 1 0 298.333 2.118 20 70 CEIDRO CCC[N@H+](CC)CCNc1ncnc2c1CCCC2 ZINC000217811318 540168976 /nfs/dbraw/zinc/16/89/76/540168976.db2.gz DEKWSMXPPBWFMM-UHFFFAOYSA-N 1 0 262.401 2.499 20 70 CEIDRO CCOC(C)(C)C[NH2+]Cc1nn(C)c2ccccc12 ZINC000159376297 540405206 /nfs/dbraw/zinc/40/52/06/540405206.db2.gz CMAGBZASOPBQIM-UHFFFAOYSA-N 1 0 261.369 2.478 20 70 CEIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160600819 540624911 /nfs/dbraw/zinc/62/49/11/540624911.db2.gz WLZZLWYJKLQLQQ-SNVBAGLBSA-N 1 0 276.380 2.338 20 70 CEIDRO O=C(NC1CC1)[C@@H]([NH2+]C1CC=CC1)c1ccc(F)cc1 ZINC000160894797 540678256 /nfs/dbraw/zinc/67/82/56/540678256.db2.gz AQSRHNFUHATALY-HNNXBMFYSA-N 1 0 274.339 2.454 20 70 CEIDRO C[N@H+](CCCCS(C)(=O)=O)CCCOc1ccccc1 ZINC000161428119 540820286 /nfs/dbraw/zinc/82/02/86/540820286.db2.gz MQFLXGAOFIWVJH-UHFFFAOYSA-N 1 0 299.436 2.212 20 70 CEIDRO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1F ZINC000159684953 366939139 /nfs/dbraw/zinc/93/91/39/366939139.db2.gz IDPYAAWJMGTGCS-WCQYABFASA-N 1 0 264.344 2.220 20 70 CEIDRO [NH3+]C1(C(=O)Nc2cccc(-c3nc[nH]n3)c2)CCCCC1 ZINC000159504530 366921339 /nfs/dbraw/zinc/92/13/39/366921339.db2.gz GJNNEHLRRFLCHM-UHFFFAOYSA-N 1 0 285.351 2.072 20 70 CEIDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H](C)[NH3+] ZINC000159526605 366922642 /nfs/dbraw/zinc/92/26/42/366922642.db2.gz WLVCIRSMXKYTRB-SNVBAGLBSA-N 1 0 277.368 2.265 20 70 CEIDRO COc1c(C)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1C ZINC000159567661 366927474 /nfs/dbraw/zinc/92/74/74/366927474.db2.gz RKZTYUGUODBRRU-ZFWWWQNUSA-N 1 0 290.407 2.398 20 70 CEIDRO C[N@H+](CCn1ccnc1)Cc1ccc(Cl)nc1 ZINC000159870314 366957067 /nfs/dbraw/zinc/95/70/67/366957067.db2.gz DJCTWWPCEJBDTL-UHFFFAOYSA-N 1 0 250.733 2.064 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCCCCCC1 ZINC000160072769 366970438 /nfs/dbraw/zinc/97/04/38/366970438.db2.gz MWBRHOBXGRREOY-VBQJREDUSA-N 1 0 294.439 2.312 20 70 CEIDRO CCCCn1ncc(NC(=O)NCC[N@H+](C)C(C)C)c1C ZINC000159947661 366960786 /nfs/dbraw/zinc/96/07/86/366960786.db2.gz UWOOVZBNQCPZQX-UHFFFAOYSA-N 1 0 295.431 2.453 20 70 CEIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cn1 ZINC000160045548 366968161 /nfs/dbraw/zinc/96/81/61/366968161.db2.gz NFKMHQGNESSVQA-TZMCWYRMSA-N 1 0 264.369 2.383 20 70 CEIDRO C[C@@H]([NH3+])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160042404 366968739 /nfs/dbraw/zinc/96/87/39/366968739.db2.gz NCHLDJQAAPHNAX-MRVPVSSYSA-N 1 0 272.751 2.220 20 70 CEIDRO CN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160118980 366974726 /nfs/dbraw/zinc/97/47/26/366974726.db2.gz GZGRXSYCYAUFBF-ZDUSSCGKSA-N 1 0 290.342 2.045 20 70 CEIDRO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160345976 366996776 /nfs/dbraw/zinc/99/67/76/366996776.db2.gz RKRLTAGTCWBLQF-HNNXBMFYSA-N 1 0 276.380 2.315 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000160195376 366980925 /nfs/dbraw/zinc/98/09/25/366980925.db2.gz CJTUHUBNKBHUBS-CQSZACIVSA-N 1 0 299.374 2.224 20 70 CEIDRO C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CC[C@@H]1[NH3+] ZINC000160207809 366982811 /nfs/dbraw/zinc/98/28/11/366982811.db2.gz XXKBRAKEANVUHY-NZYIEUEFSA-N 1 0 276.424 2.254 20 70 CEIDRO CC(C)[C@@H](CC1CCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160235355 366985874 /nfs/dbraw/zinc/98/58/74/366985874.db2.gz BCDNWCWFLXCWGQ-ZIAGYGMSSA-N 1 0 252.402 2.399 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccc(Cl)cc1 ZINC000160282194 366991188 /nfs/dbraw/zinc/99/11/88/366991188.db2.gz FWDLKZPTGBGAFM-NSHDSACASA-N 1 0 284.812 2.382 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000160313267 366993292 /nfs/dbraw/zinc/99/32/92/366993292.db2.gz LLVSYEOOVWPPCT-CYBMUJFWSA-N 1 0 294.782 2.253 20 70 CEIDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc(-n2cccn2)c1 ZINC000160571813 367018638 /nfs/dbraw/zinc/01/86/38/367018638.db2.gz OTVFVJBLYUWXPE-HIFRSBDPSA-N 1 0 298.390 2.049 20 70 CEIDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc12 ZINC000160371970 366999455 /nfs/dbraw/zinc/99/94/55/366999455.db2.gz MRJJSMVWHBYDFE-HNNXBMFYSA-N 1 0 284.359 2.298 20 70 CEIDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC(C)C)c2C)C1 ZINC000160989736 367048754 /nfs/dbraw/zinc/04/87/54/367048754.db2.gz QIZQLOZUVAOSSU-AWEZNQCLSA-N 1 0 292.427 2.062 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCCCn2ccnc2C)CC1 ZINC000161030505 367051431 /nfs/dbraw/zinc/05/14/31/367051431.db2.gz MXVHSKVAOYSHFN-UHFFFAOYSA-N 1 0 292.427 2.009 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161067604 367053296 /nfs/dbraw/zinc/05/32/96/367053296.db2.gz SZAYDLKAHRTTDG-UONOGXRCSA-N 1 0 250.386 2.071 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000161065258 367053367 /nfs/dbraw/zinc/05/33/67/367053367.db2.gz QORJFTDQDPSZJB-DGCLKSJQSA-N 1 0 274.389 2.495 20 70 CEIDRO C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161135904 367060788 /nfs/dbraw/zinc/06/07/88/367060788.db2.gz VHCOBVOXGJDIDK-RISCZKNCSA-N 1 0 296.798 2.366 20 70 CEIDRO CCC(CC)(C[NH3+])C(=O)N1CCn2c3ccccc3nc21 ZINC000161165534 367063341 /nfs/dbraw/zinc/06/33/41/367063341.db2.gz UGVBXYFRJNXMEA-UHFFFAOYSA-N 1 0 286.379 2.148 20 70 CEIDRO COc1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1N ZINC000161300613 367076032 /nfs/dbraw/zinc/07/60/32/367076032.db2.gz NIGMKJSGFAGSJQ-NSHDSACASA-N 1 0 291.395 2.242 20 70 CEIDRO CSC[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000217850991 370200831 /nfs/dbraw/zinc/20/08/31/370200831.db2.gz UTSFRJFUCOCVBZ-OAHLLOKOSA-N 1 0 291.420 2.280 20 70 CEIDRO CCOC(=O)c1ccc(NCC[N@H+](C)[C@H](C)CC)nc1 ZINC000218275471 370208585 /nfs/dbraw/zinc/20/85/85/370208585.db2.gz WJVGULTTYLMDGC-GFCCVEGCSA-N 1 0 279.384 2.401 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC2(CCC2)C1 ZINC000160234490 284797755 /nfs/dbraw/zinc/79/77/55/284797755.db2.gz CIXOOYCHBRWTTH-CYBMUJFWSA-N 1 0 267.417 2.302 20 70 CEIDRO COC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159841640 285237790 /nfs/dbraw/zinc/23/77/90/285237790.db2.gz PTSWYZXFKJXQIO-KBXCAEBGSA-N 1 0 288.435 2.448 20 70 CEIDRO CC(C)[N@H+](C)CC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160525186 395061040 /nfs/dbraw/zinc/06/10/40/395061040.db2.gz UXFQFUWQJHZDDU-AWEZNQCLSA-N 1 0 282.428 2.325 20 70 CEIDRO CCC[C@]1(C)CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000160934624 395061772 /nfs/dbraw/zinc/06/17/72/395061772.db2.gz KNZIXNQFWHPHJM-TZMCWYRMSA-N 1 0 272.458 2.496 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160906791 395061932 /nfs/dbraw/zinc/06/19/32/395061932.db2.gz IZLIKUGGPGELMD-BPLDGKMQSA-N 1 0 260.381 2.374 20 70 CEIDRO CO[C@@H]1CCN(Cc2ccc(C)cc2C)[C@@H](C[NH3+])C1 ZINC000160974190 395062651 /nfs/dbraw/zinc/06/26/51/395062651.db2.gz IWKOTBNLCGXBDK-HZPDHXFCSA-N 1 0 262.397 2.242 20 70 CEIDRO Cc1nc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)no1 ZINC000161052541 400283861 /nfs/dbraw/zinc/28/38/61/400283861.db2.gz VBZSUAUZCIHUGB-UHFFFAOYSA-N 1 0 288.395 2.378 20 70 CEIDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC000217896321 153298953 /nfs/dbraw/zinc/29/89/53/153298953.db2.gz FKGJESZLXIBYEC-KGLIPLIRSA-N 1 0 276.380 2.069 20 70 CEIDRO CC(C)(C)NC(=O)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218091306 153301707 /nfs/dbraw/zinc/30/17/07/153301707.db2.gz ZIBVTHBPSZUSPN-UHFFFAOYSA-N 1 0 259.353 2.172 20 70 CEIDRO C[C@H](CNC(=O)[C@@H]1CC1(C)C)C[NH+]1CCCCC1 ZINC000159777932 162314126 /nfs/dbraw/zinc/31/41/26/162314126.db2.gz UIPICHSBZJVQDN-OLZOCXBDSA-N 1 0 252.402 2.271 20 70 CEIDRO CN(C(=O)c1ccc2ccccc2n1)[C@@H](C[NH3+])C1CC1 ZINC000159803647 162316189 /nfs/dbraw/zinc/31/61/89/162316189.db2.gz HJFVFDCCCXVUHS-HNNXBMFYSA-N 1 0 269.348 2.044 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000159981917 162320255 /nfs/dbraw/zinc/32/02/55/162320255.db2.gz ADWCDFPMWYKDPN-GUTXKFCHSA-N 1 0 290.407 2.255 20 70 CEIDRO CC[C@H](C(=O)NCCCc1ccc(OC)cc1)[NH+](C)C ZINC000159862023 276543031 /nfs/dbraw/zinc/54/30/31/276543031.db2.gz RJNXNTFEGLQOOQ-OAHLLOKOSA-N 1 0 278.396 2.084 20 70 CEIDRO CC[C@H](C)[NH+]1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000160518484 280733331 /nfs/dbraw/zinc/73/33/31/280733331.db2.gz AGJPFZPECDHWEN-AWEZNQCLSA-N 1 0 267.417 2.254 20 70 CEIDRO COc1ccccc1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159488177 295358844 /nfs/dbraw/zinc/35/88/44/295358844.db2.gz CMXNBURNQIUSTQ-UHFFFAOYSA-N 1 0 290.407 2.406 20 70 CEIDRO CC[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+](C)C ZINC000160629830 297439359 /nfs/dbraw/zinc/43/93/59/297439359.db2.gz KUVGOGPEIYBGDG-LBPRGKRZSA-N 1 0 297.468 2.440 20 70 CEIDRO C[C@@H](NC(=O)N(C)CC1CCOCC1)C(C)(C)C[NH+](C)C ZINC000159867821 312634426 /nfs/dbraw/zinc/63/44/26/312634426.db2.gz UHSYUOLGQUVZAO-CYBMUJFWSA-N 1 0 299.459 2.031 20 70 CEIDRO CC[NH+]1CCC(CCNC(=O)NC[C@@H](C)SC)CC1 ZINC000159882644 312634722 /nfs/dbraw/zinc/63/47/22/312634722.db2.gz CZLRPHZECWKUDO-GFCCVEGCSA-N 1 0 287.473 2.159 20 70 CEIDRO C[NH+](C)C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159465085 521877884 /nfs/dbraw/zinc/87/78/84/521877884.db2.gz HLRGDCKVIWEHSX-SNVBAGLBSA-N 1 0 268.430 2.224 20 70 CEIDRO CC[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(C)c1 ZINC000161011889 522949540 /nfs/dbraw/zinc/94/95/40/522949540.db2.gz DRAXVEGLKLNXQP-SOUVJXGZSA-N 1 0 264.417 2.334 20 70 CEIDRO COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000160353575 523357571 /nfs/dbraw/zinc/35/75/71/523357571.db2.gz MYIDAPPMJQXSRS-KKUMJFAQSA-N 1 0 284.444 2.332 20 70 CEIDRO Cc1ccc([C@@H](C)CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000159661425 525681306 /nfs/dbraw/zinc/68/13/06/525681306.db2.gz WNHOVVHSSDMUIJ-DZGCQCFKSA-N 1 0 260.381 2.357 20 70 CEIDRO O=C(CCCn1cccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159450034 526469754 /nfs/dbraw/zinc/46/97/54/526469754.db2.gz MHAVZVGUTKJSET-MRXNPFEDSA-N 1 0 289.423 2.355 20 70 CEIDRO [NH3+]CCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000160667307 527180892 /nfs/dbraw/zinc/18/08/92/527180892.db2.gz LLNPVLNCYTZCBD-UHFFFAOYSA-N 1 0 277.246 2.056 20 70 CEIDRO Cc1nccn1CCCC[N@@H+]1CCCSCC1 ZINC000161490833 527396627 /nfs/dbraw/zinc/39/66/27/527396627.db2.gz GYMUMOGVBNDCBH-UHFFFAOYSA-N 1 0 253.415 2.411 20 70 CEIDRO CCc1nn(C)c(CC)c1CNC1CC[NH+](C2CC2)CC1 ZINC000159664077 344455756 /nfs/dbraw/zinc/45/57/56/344455756.db2.gz LABQHGHAEKTFRG-UHFFFAOYSA-N 1 0 290.455 2.261 20 70 CEIDRO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000160804039 344461728 /nfs/dbraw/zinc/46/17/28/344461728.db2.gz KAALNSSAXWWEQY-LBPRGKRZSA-N 1 0 265.401 2.197 20 70 CEIDRO Cc1c([C@H](C)[NH2+]CC(C)(C)O)nnn1-c1ccc(F)cc1 ZINC000160625172 232251523 /nfs/dbraw/zinc/25/15/23/232251523.db2.gz FQEOMMPVGOYEND-JTQLQIEISA-N 1 0 292.358 2.136 20 70 CEIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1c(F)cc(F)cc1F ZINC000159366790 188422956 /nfs/dbraw/zinc/42/29/56/188422956.db2.gz HYYLMWKCIALUOZ-UHFFFAOYSA-N 1 0 298.308 2.461 20 70 CEIDRO [NH3+]CCCC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159659499 188435669 /nfs/dbraw/zinc/43/56/69/188435669.db2.gz HRHYPBKECFGEOR-UHFFFAOYSA-N 1 0 290.407 2.181 20 70 CEIDRO CC[C@@H]1CCCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160185490 188459485 /nfs/dbraw/zinc/45/94/85/188459485.db2.gz YTUXSXIGAWGFND-VWPFQQQWSA-N 1 0 294.439 2.168 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C1 ZINC000160584979 188482204 /nfs/dbraw/zinc/48/22/04/188482204.db2.gz ICQNEGRQIIEOAP-AWEZNQCLSA-N 1 0 260.381 2.076 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)C1 ZINC000160613216 188483014 /nfs/dbraw/zinc/48/30/14/188483014.db2.gz GNDCELQIVZQVRJ-HNNXBMFYSA-N 1 0 295.386 2.491 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000161243343 188517484 /nfs/dbraw/zinc/51/74/84/188517484.db2.gz DMRPYJFKXGMPMR-OAHLLOKOSA-N 1 0 288.391 2.299 20 70 CEIDRO [NH3+]Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)o1 ZINC000159380190 540081587 /nfs/dbraw/zinc/08/15/87/540081587.db2.gz KDVYANKNSDEIRI-CABZTGNLSA-N 1 0 292.285 2.302 20 70 CEIDRO COc1ccc(CCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160886900 540126139 /nfs/dbraw/zinc/12/61/39/540126139.db2.gz DTYUHTBSOLLZFW-HUUCEWRRSA-N 1 0 290.407 2.404 20 70 CEIDRO COc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000160886401 540126279 /nfs/dbraw/zinc/12/62/79/540126279.db2.gz HNWGNYWNLAUQBI-VXGBXAGGSA-N 1 0 262.353 2.003 20 70 CEIDRO CSc1ccsc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161027732 540131007 /nfs/dbraw/zinc/13/10/07/540131007.db2.gz IZFVSTGCVXYPPD-IUCAKERBSA-N 1 0 270.423 2.470 20 70 CEIDRO Cc1ccccc1C1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000161045541 540131757 /nfs/dbraw/zinc/13/17/57/540131757.db2.gz OBBVHLPSDLHNIT-KGLIPLIRSA-N 1 0 272.392 2.413 20 70 CEIDRO C[C@@H](CNC(=O)c1ccc2c(c1)CCCN2)[NH+]1CCCC1 ZINC000161041468 540131994 /nfs/dbraw/zinc/13/19/94/540131994.db2.gz IDEOBDWQTYRYLH-ZDUSSCGKSA-N 1 0 287.407 2.259 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000161312316 540136364 /nfs/dbraw/zinc/13/63/64/540136364.db2.gz RZFCAOOCIWNYIK-HUUCEWRRSA-N 1 0 260.381 2.395 20 70 CEIDRO Cc1c(Cl)cccc1OCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161460066 540138478 /nfs/dbraw/zinc/13/84/78/540138478.db2.gz KSPQYYVNAFRZRB-NEPJUHHUSA-N 1 0 296.798 2.413 20 70 CEIDRO COc1ccc2nc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc2c1 ZINC000161213824 540135416 /nfs/dbraw/zinc/13/54/16/540135416.db2.gz PZSCYBXBWQBLAV-OLZOCXBDSA-N 1 0 299.374 2.243 20 70 CEIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H](C)c1ccncc1 ZINC000160742906 540648936 /nfs/dbraw/zinc/64/89/36/540648936.db2.gz MRHRJNJEVVPQEK-ZBFHGGJFSA-N 1 0 289.423 2.374 20 70 CEIDRO CCC[N@H+](CC)CCNC(=O)C[C@@H](C)c1ccncc1 ZINC000160899973 540679047 /nfs/dbraw/zinc/67/90/47/540679047.db2.gz JEIPWXZCULATNF-CQSZACIVSA-N 1 0 277.412 2.423 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N1CCSC2(CCCCC2)C1 ZINC000161451392 283845662 /nfs/dbraw/zinc/84/56/62/283845662.db2.gz PQDGRFXLXYNZMC-UHFFFAOYSA-N 1 0 282.453 2.264 20 70 CEIDRO CCCOc1cccc(CCNC(=O)C[NH+](CC)CC)c1 ZINC000159722281 366943164 /nfs/dbraw/zinc/94/31/64/366943164.db2.gz JEGUQCSEYQCFOJ-UHFFFAOYSA-N 1 0 292.423 2.476 20 70 CEIDRO OCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000159723412 366943205 /nfs/dbraw/zinc/94/32/05/366943205.db2.gz NBFHJFWWJNAVRF-NSHDSACASA-N 1 0 261.243 2.154 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159723171 366943280 /nfs/dbraw/zinc/94/32/80/366943280.db2.gz KDZGNNJRSBJNQY-RBSFLKMASA-N 1 0 260.381 2.422 20 70 CEIDRO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159730945 366943397 /nfs/dbraw/zinc/94/33/97/366943397.db2.gz HUQXOYGTFWCWCU-QWRGUYRKSA-N 1 0 278.318 2.272 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159723418 366943438 /nfs/dbraw/zinc/94/34/38/366943438.db2.gz KDZGNNJRSBJNQY-QLFBSQMISA-N 1 0 260.381 2.422 20 70 CEIDRO COCCN(C)CC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000159387070 366907582 /nfs/dbraw/zinc/90/75/82/366907582.db2.gz DKHYKXDUHATOAR-HUUCEWRRSA-N 1 0 294.439 2.355 20 70 CEIDRO Cc1cccc(C2(C(=O)N3CC[NH2+]CC3)CCCC2)c1 ZINC000159405569 366909533 /nfs/dbraw/zinc/90/95/33/366909533.db2.gz ZXZNBIZYGAQPHR-UHFFFAOYSA-N 1 0 272.392 2.239 20 70 CEIDRO CCOCCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000159408621 366910604 /nfs/dbraw/zinc/91/06/04/366910604.db2.gz KAXGKWJLWQBVJZ-AWEZNQCLSA-N 1 0 282.428 2.184 20 70 CEIDRO O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000159450580 366915248 /nfs/dbraw/zinc/91/52/48/366915248.db2.gz IMMVNMIIUHAYDS-BZUAXINKSA-N 1 0 272.392 2.124 20 70 CEIDRO Cc1nc(Cl)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159448022 366915406 /nfs/dbraw/zinc/91/54/06/366915406.db2.gz TXRJTWUTLMWFRJ-NEPJUHHUSA-N 1 0 293.798 2.352 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cnn(-c2ccccc2F)c1 ZINC000159484834 366917715 /nfs/dbraw/zinc/91/77/15/366917715.db2.gz IHEYNCOXBBEXRV-NSHDSACASA-N 1 0 288.326 2.092 20 70 CEIDRO CC(C)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159625910 366932885 /nfs/dbraw/zinc/93/28/85/366932885.db2.gz HOYBVLXMITZSGP-STQMWFEESA-N 1 0 267.417 2.205 20 70 CEIDRO Cc1ccc(C(=O)CCN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000159671025 366936986 /nfs/dbraw/zinc/93/69/86/366936986.db2.gz ZOSAEHKXXKPPSI-HNNXBMFYSA-N 1 0 274.408 2.451 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159808574 366948860 /nfs/dbraw/zinc/94/88/60/366948860.db2.gz CTAGOSLSSROZLE-KOLCDFICSA-N 1 0 252.745 2.003 20 70 CEIDRO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)s1 ZINC000159859591 366954373 /nfs/dbraw/zinc/95/43/73/366954373.db2.gz ONWZSCDCZYTFLU-PWSUYJOCSA-N 1 0 283.393 2.128 20 70 CEIDRO CCn1nccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000159920378 366959002 /nfs/dbraw/zinc/95/90/02/366959002.db2.gz GCQGDBMTBGOCSQ-AWEZNQCLSA-N 1 0 279.771 2.380 20 70 CEIDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159945982 366960859 /nfs/dbraw/zinc/96/08/59/366960859.db2.gz IPQDWWJDHIUGQF-NEPJUHHUSA-N 1 0 264.394 2.336 20 70 CEIDRO C[C@H]1C[C@H](NC(=O)N(C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159962147 366962446 /nfs/dbraw/zinc/96/24/46/366962446.db2.gz BDNFINFDALDPFV-ZFWWWQNUSA-N 1 0 287.407 2.453 20 70 CEIDRO CC(C)([NH3+])CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000160060040 366970144 /nfs/dbraw/zinc/97/01/44/366970144.db2.gz MHEBSRLSCQTGIT-UHFFFAOYSA-N 1 0 293.754 2.462 20 70 CEIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CCCCCC1 ZINC000160091053 366971780 /nfs/dbraw/zinc/97/17/80/366971780.db2.gz RDFHUXZHPKBTPF-VBQJREDUSA-N 1 0 294.439 2.358 20 70 CEIDRO Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160136770 366976537 /nfs/dbraw/zinc/97/65/37/366976537.db2.gz KCGWKYKJONLTHJ-NSHDSACASA-N 1 0 293.798 2.258 20 70 CEIDRO CC[C@H](C(=O)NC[C@H](C)Cc1cccs1)[NH+](C)C ZINC000160178142 366979249 /nfs/dbraw/zinc/97/92/49/366979249.db2.gz CWLHBPDRZDFKIU-DGCLKSJQSA-N 1 0 268.426 2.383 20 70 CEIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC2(CCC2)C1 ZINC000160303901 366992445 /nfs/dbraw/zinc/99/24/45/366992445.db2.gz ZJBREXDJAFFKCY-AWEZNQCLSA-N 1 0 279.428 2.446 20 70 CEIDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160326302 366995661 /nfs/dbraw/zinc/99/56/61/366995661.db2.gz UJRUFSMSGJFJBW-UTUOFQBUSA-N 1 0 280.318 2.018 20 70 CEIDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)O)CN1Cc1ccccc1 ZINC000160601620 367021388 /nfs/dbraw/zinc/02/13/88/367021388.db2.gz WRCQHJRGKDHGJJ-ZFWWWQNUSA-N 1 0 262.397 2.010 20 70 CEIDRO COCCN(Cc1ccnn1C)Cc1ccccc1 ZINC000160448752 367007173 /nfs/dbraw/zinc/00/71/73/367007173.db2.gz KLBNFGKVZLYDNE-UHFFFAOYSA-N 1 0 259.353 2.069 20 70 CEIDRO C[NH+](C)C[C@H]1CCCN1C(=O)NC1CCCCC1 ZINC000160528148 367013825 /nfs/dbraw/zinc/01/38/25/367013825.db2.gz PVSAVDGHHQEJKL-CYBMUJFWSA-N 1 0 253.390 2.055 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)COc2cc(C(C)C)ccc2C)C1 ZINC000160553987 367016642 /nfs/dbraw/zinc/01/66/42/367016642.db2.gz LJIGFSCDIDOQPR-HNNXBMFYSA-N 1 0 290.407 2.318 20 70 CEIDRO O=C([C@H]1CCn2ccnc2C1)N1CC[C@H](c2ccccc2)C1 ZINC000160995471 367048038 /nfs/dbraw/zinc/04/80/38/367048038.db2.gz KWDFOTLFJFEQAP-HOTGVXAUSA-N 1 0 295.386 2.462 20 70 CEIDRO C[NH+](C)C1(CNc2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000161043598 367051413 /nfs/dbraw/zinc/05/14/13/367051413.db2.gz SIIPDRFNWMRASZ-UHFFFAOYSA-N 1 0 296.436 2.376 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000161067444 367053016 /nfs/dbraw/zinc/05/30/16/367053016.db2.gz SZAYDLKAHRTTDG-KBPBESRZSA-N 1 0 250.386 2.071 20 70 CEIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)NC1CCCC1 ZINC000161076737 367053253 /nfs/dbraw/zinc/05/32/53/367053253.db2.gz JYYRLMBTXXFAKR-ZDUSSCGKSA-N 1 0 275.396 2.351 20 70 CEIDRO C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000161133611 367060826 /nfs/dbraw/zinc/06/08/26/367060826.db2.gz VHCOBVOXGJDIDK-SMDDNHRTSA-N 1 0 296.798 2.366 20 70 CEIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161152352 367062659 /nfs/dbraw/zinc/06/26/59/367062659.db2.gz ZPCNCXCVLMJDSS-CQSZACIVSA-N 1 0 299.374 2.359 20 70 CEIDRO C[C@@H]1CN(C(=O)C2([NH3+])CC2)CC[C@H]1c1ccccc1 ZINC000161231361 367070606 /nfs/dbraw/zinc/07/06/06/367070606.db2.gz QMIANWNUSOQNAA-TZMCWYRMSA-N 1 0 258.365 2.130 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2)nc1C ZINC000161284963 367074098 /nfs/dbraw/zinc/07/40/98/367074098.db2.gz WTASAWDYGQRSFJ-HNNXBMFYSA-N 1 0 298.390 2.005 20 70 CEIDRO Cc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cnn1CC(C)C ZINC000161312657 367076570 /nfs/dbraw/zinc/07/65/70/367076570.db2.gz XKTBCSUSIMBIKB-LBPRGKRZSA-N 1 0 292.427 2.060 20 70 CEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000161317322 367076615 /nfs/dbraw/zinc/07/66/15/367076615.db2.gz MJFUCOQZXHEPMI-VIFPVBQESA-N 1 0 286.297 2.176 20 70 CEIDRO COCC[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160766961 367033124 /nfs/dbraw/zinc/03/31/24/367033124.db2.gz KVFJGARKQWBIGI-GOEBONIOSA-N 1 0 290.407 2.365 20 70 CEIDRO Cc1ccccc1OCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161324806 367078919 /nfs/dbraw/zinc/07/89/19/367078919.db2.gz MSFJKGDBHNEMAK-CABCVRRESA-N 1 0 262.397 2.446 20 70 CEIDRO COC1(C(=O)N2CCC[C@@H](CC(C)C)C2)CC[NH2+]CC1 ZINC000161474828 367089480 /nfs/dbraw/zinc/08/94/80/367089480.db2.gz LQYZKBMWFIWCQU-AWEZNQCLSA-N 1 0 282.428 2.040 20 70 CEIDRO c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c2c(c1)OCCO2 ZINC000217637932 370197903 /nfs/dbraw/zinc/19/79/03/370197903.db2.gz NKCSNGVGVCMGNZ-GJZGRUSLSA-N 1 0 288.391 2.174 20 70 CEIDRO CC1(C)C[C@H](NC(=O)[C@H]2CC[NH2+]C2)c2ccccc2O1 ZINC000160345839 395061000 /nfs/dbraw/zinc/06/10/00/395061000.db2.gz CESLDVMGHDIKMU-AAEUAGOBSA-N 1 0 274.364 2.015 20 70 CEIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000161070917 395063706 /nfs/dbraw/zinc/06/37/06/395063706.db2.gz BSPPDAZMYCADSC-MELADBBJSA-N 1 0 252.402 2.445 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161247244 395063803 /nfs/dbraw/zinc/06/38/03/395063803.db2.gz DXMDUMIERUDBIF-SUHUHFCYSA-N 1 0 264.344 2.267 20 70 CEIDRO CCOCCC1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC000160301319 297434563 /nfs/dbraw/zinc/43/45/63/297434563.db2.gz YOSRTAPAGUFLDU-ZDUSSCGKSA-N 1 0 270.417 2.040 20 70 CEIDRO OC[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000218306323 400308545 /nfs/dbraw/zinc/30/85/45/400308545.db2.gz KFZAFRFTMWCFIL-KGLIPLIRSA-N 1 0 261.365 2.257 20 70 CEIDRO CCc1ncnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000218039029 153297537 /nfs/dbraw/zinc/29/75/37/153297537.db2.gz IMPZVTOFUFZTKB-UWVGGRQHSA-N 1 0 252.337 2.073 20 70 CEIDRO CCc1ncnc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC000217984791 153298561 /nfs/dbraw/zinc/29/85/61/153298561.db2.gz GZFPSLRBHYXJDI-YOGCLGLASA-N 1 0 278.375 2.463 20 70 CEIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCC2)s1 ZINC000159678984 162310064 /nfs/dbraw/zinc/31/00/64/162310064.db2.gz YCOFBCKPILCOTB-CMPLNLGQSA-N 1 0 293.436 2.496 20 70 CEIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159727925 162312384 /nfs/dbraw/zinc/31/23/84/162312384.db2.gz SCNLZMJOQXBCNA-AEFFLSMTSA-N 1 0 294.398 2.403 20 70 CEIDRO [NH3+]CCCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159813908 162315885 /nfs/dbraw/zinc/31/58/85/162315885.db2.gz BPMROIQFKNEQBO-LBPRGKRZSA-N 1 0 266.772 2.395 20 70 CEIDRO CN(Cc1cc(-c2ccco2)on1)[C@H](C[NH3+])C1CC1 ZINC000159979472 162318412 /nfs/dbraw/zinc/31/84/12/162318412.db2.gz VHPPMPLVSOJYLT-GFCCVEGCSA-N 1 0 261.325 2.104 20 70 CEIDRO CCCN(CCC)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159979546 162319234 /nfs/dbraw/zinc/31/92/34/162319234.db2.gz KBTPLBWOSQAKFF-DVOMOZLQSA-N 1 0 282.428 2.168 20 70 CEIDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCOCC2CC2)CC1 ZINC000159962952 162319779 /nfs/dbraw/zinc/31/97/79/162319779.db2.gz LKNLLMYWUSSJEM-AWEZNQCLSA-N 1 0 296.455 2.286 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000159982252 162319838 /nfs/dbraw/zinc/31/98/38/162319838.db2.gz ADWCDFPMWYKDPN-KCQAQPDRSA-N 1 0 290.407 2.255 20 70 CEIDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)[C@H]1CCOC1 ZINC000160068736 162322755 /nfs/dbraw/zinc/32/27/55/162322755.db2.gz HXFNAEKCIZYTIR-MNOVXSKESA-N 1 0 271.307 2.358 20 70 CEIDRO Cc1ccc(OCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000160095707 162323050 /nfs/dbraw/zinc/32/30/50/162323050.db2.gz VDQWXTRLQDCGDC-MRXNPFEDSA-N 1 0 292.423 2.418 20 70 CEIDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)[C@@H]1CCOC1 ZINC000160068461 162324053 /nfs/dbraw/zinc/32/40/53/162324053.db2.gz HXFNAEKCIZYTIR-GHMZBOCLSA-N 1 0 271.307 2.358 20 70 CEIDRO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000160245030 162326454 /nfs/dbraw/zinc/32/64/54/162326454.db2.gz YWUFRVLIGQUHIZ-BBRMVZONSA-N 1 0 263.381 2.433 20 70 CEIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000160346951 162327766 /nfs/dbraw/zinc/32/77/66/162327766.db2.gz XOWGCERBLLORQV-MRXNPFEDSA-N 1 0 281.359 2.198 20 70 CEIDRO CC[C@@H](C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)[NH+](C)C ZINC000160229703 270238395 /nfs/dbraw/zinc/23/83/95/270238395.db2.gz DUDSWEYFAVIRCM-MJBXVCDLSA-N 1 0 252.402 2.412 20 70 CEIDRO C[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)c2ccc(F)cc2O1 ZINC000161104538 274573059 /nfs/dbraw/zinc/57/30/59/274573059.db2.gz GBUMUVZRECKOQR-JQWIXIFHSA-N 1 0 278.327 2.082 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000159662229 276162071 /nfs/dbraw/zinc/16/20/71/276162071.db2.gz JAJVLNHACQJTBE-CQSZACIVSA-N 1 0 291.395 2.394 20 70 CEIDRO CO[C@@H]1CCN(Cc2c(F)cccc2Cl)[C@H](C[NH3+])C1 ZINC000161004293 277292880 /nfs/dbraw/zinc/29/28/80/277292880.db2.gz XNGLZZOBSBPBGS-WDEREUQCSA-N 1 0 286.778 2.417 20 70 CEIDRO COc1cccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)c1OC ZINC000161291598 278009818 /nfs/dbraw/zinc/00/98/18/278009818.db2.gz WASUWSVYOLKNPZ-CQSZACIVSA-N 1 0 292.423 2.477 20 70 CEIDRO CC(C)C[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160253640 279092694 /nfs/dbraw/zinc/09/26/94/279092694.db2.gz VVUUBGHLJOVIIO-MELADBBJSA-N 1 0 252.402 2.412 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NC2CCCCCC2)CC1 ZINC000159513508 279284611 /nfs/dbraw/zinc/28/46/11/279284611.db2.gz YLZZIKPAMUPZQT-UHFFFAOYSA-N 1 0 267.417 2.446 20 70 CEIDRO CCc1ccc([C@@H](CO)[NH2+]Cc2cccn2C)cc1 ZINC000160805945 312642028 /nfs/dbraw/zinc/64/20/28/312642028.db2.gz OCJCJESHHGLAJG-MRXNPFEDSA-N 1 0 258.365 2.411 20 70 CEIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2ccccc21 ZINC000160209469 312637698 /nfs/dbraw/zinc/63/76/98/312637698.db2.gz OQSJHXKIJLDZCB-TZMCWYRMSA-N 1 0 251.395 2.378 20 70 CEIDRO Cc1cc(C(=O)NCCC[NH+](C)C)c(Cl)cc1F ZINC000161201929 312643962 /nfs/dbraw/zinc/64/39/62/312643962.db2.gz SGRJZLHTAAKGFY-UHFFFAOYSA-N 1 0 272.751 2.469 20 70 CEIDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(C2CC2)CC1 ZINC000159603059 520824361 /nfs/dbraw/zinc/82/43/61/520824361.db2.gz SASMFXQGTASSSD-LBPRGKRZSA-N 1 0 267.417 2.206 20 70 CEIDRO CC[N@H+](C)C[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160881363 520256150 /nfs/dbraw/zinc/25/61/50/520256150.db2.gz BTOKAYFCXUOPAB-CQSZACIVSA-N 1 0 272.396 2.108 20 70 CEIDRO CCC(CC)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160565106 521528643 /nfs/dbraw/zinc/52/86/43/521528643.db2.gz MNBJHJGRSVHQNK-CQSZACIVSA-N 1 0 267.417 2.302 20 70 CEIDRO CCOC(C)(C)CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000159606117 521624814 /nfs/dbraw/zinc/62/48/14/521624814.db2.gz WCVXJQLXENAXAP-UHFFFAOYSA-N 1 0 265.357 2.082 20 70 CEIDRO C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000161337216 524179897 /nfs/dbraw/zinc/17/98/97/524179897.db2.gz MENGREFRHAQOIG-IHRRRGAJSA-N 1 0 264.413 2.413 20 70 CEIDRO COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)c(OC)c1 ZINC000160354427 525162224 /nfs/dbraw/zinc/16/22/24/525162224.db2.gz NDHPHHMQQUXRGM-VXGBXAGGSA-N 1 0 299.436 2.468 20 70 CEIDRO O=C(CSc1ccc(F)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159379670 527034104 /nfs/dbraw/zinc/03/41/04/527034104.db2.gz AZHSQRVPTWRHIR-HNNXBMFYSA-N 1 0 294.395 2.130 20 70 CEIDRO CC(C)CCO[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159627329 527763070 /nfs/dbraw/zinc/76/30/70/527763070.db2.gz GTTNNRDHSOFFLB-ZDUSSCGKSA-N 1 0 270.417 2.215 20 70 CEIDRO CC[N@H+](CCCS(=O)(=O)C(C)C)C1CCCC1 ZINC000160871420 528470193 /nfs/dbraw/zinc/47/01/93/528470193.db2.gz MHEDXGLHRZMJGS-UHFFFAOYSA-N 1 0 261.431 2.464 20 70 CEIDRO CCCCOCCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000160285265 528587950 /nfs/dbraw/zinc/58/79/50/528587950.db2.gz CPCLKCUFQFEGSH-KBPBESRZSA-N 1 0 291.457 2.139 20 70 CEIDRO CC(C)(C[NH2+]Cc1cccc2cc[nH]c21)N1CCOCC1 ZINC000218070460 535148313 /nfs/dbraw/zinc/14/83/13/535148313.db2.gz KCXMVLJIDJJCGI-UHFFFAOYSA-N 1 0 287.407 2.368 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3ccccc31)CC2 ZINC000160477089 282117902 /nfs/dbraw/zinc/11/79/02/282117902.db2.gz HLCWTSLPKNMQLS-DZGCQCFKSA-N 1 0 298.390 2.405 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000160474380 282116585 /nfs/dbraw/zinc/11/65/85/282116585.db2.gz KFWHXLHCSBYHMT-GVXVVHGQSA-N 1 0 262.401 2.316 20 70 CEIDRO C[NH2+]C1CCN(C(=O)C2C3CC4CC(C3)CC2C4)CC1 ZINC000160083059 290637505 /nfs/dbraw/zinc/63/75/05/290637505.db2.gz KELTVTYTLMDFND-UHFFFAOYSA-N 1 0 276.424 2.269 20 70 CEIDRO Nc1ccc2nc(N3CC[NH+]4CCC3CC4)sc2c1 ZINC000216747584 539212344 /nfs/dbraw/zinc/21/23/44/539212344.db2.gz WBHRCUIFIGNHLI-UHFFFAOYSA-N 1 0 274.393 2.163 20 70 CEIDRO CC(C)([NH3+])CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000160109695 188456499 /nfs/dbraw/zinc/45/64/99/188456499.db2.gz XJMMMVMIDOMTOE-UHFFFAOYSA-N 1 0 289.404 2.206 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000160195501 188459281 /nfs/dbraw/zinc/45/92/81/188459281.db2.gz CJTUHUBNKBHUBS-AWEZNQCLSA-N 1 0 299.374 2.224 20 70 CEIDRO Cc1cc(O[C@H](C)C(=O)NCC(C)(C)[NH3+])ccc1Cl ZINC000160063544 188453785 /nfs/dbraw/zinc/45/37/85/188453785.db2.gz IPHMWFCKYVFWRU-SNVBAGLBSA-N 1 0 284.787 2.269 20 70 CEIDRO O=C(NCCCCC1CCCC1)C1CC[NH2+]CC1 ZINC000160900141 188497327 /nfs/dbraw/zinc/49/73/27/188497327.db2.gz JLQONTNDBYFTPF-UHFFFAOYSA-N 1 0 252.402 2.463 20 70 CEIDRO Cc1ccc2c(CC(=O)NCC(C)(C)[NH3+])coc2c1 ZINC000160011063 540109635 /nfs/dbraw/zinc/10/96/35/540109635.db2.gz LFNLSUWQXFSRBE-UHFFFAOYSA-N 1 0 260.337 2.137 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000160758554 540122325 /nfs/dbraw/zinc/12/23/25/540122325.db2.gz PJZWUXOTZAGIJY-NWDGAFQWSA-N 1 0 273.380 2.044 20 70 CEIDRO Cc1c2ccccc2[nH]c(=O)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160788412 540123106 /nfs/dbraw/zinc/12/31/06/540123106.db2.gz DKUBDVWRUMHUJX-RYUDHWBXSA-N 1 0 299.374 2.249 20 70 CEIDRO COc1cc(C)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160795363 540123197 /nfs/dbraw/zinc/12/31/97/540123197.db2.gz KVOCBAQWUZVLLF-VHSXEESVSA-N 1 0 268.382 2.065 20 70 CEIDRO Cc1ccccc1SCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160961001 540128752 /nfs/dbraw/zinc/12/87/52/540128752.db2.gz RZTZXNJXSYZFJW-CHWSQXEVSA-N 1 0 278.421 2.473 20 70 CEIDRO CSc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000161030573 540130784 /nfs/dbraw/zinc/13/07/84/540130784.db2.gz GLQPGIOFLGXKKN-RKDXNWHRSA-N 1 0 254.355 2.001 20 70 CEIDRO C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)CO1 ZINC000161090016 540133089 /nfs/dbraw/zinc/13/30/89/540133089.db2.gz MMXYKYVCFNRXCI-UKRRQHHQSA-N 1 0 288.391 2.247 20 70 CEIDRO CCOc1ccccc1CCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161341387 540137176 /nfs/dbraw/zinc/13/71/76/540137176.db2.gz OICCXYYWNIACQU-CABCVRRESA-N 1 0 290.407 2.404 20 70 CEIDRO COc1ccc2nc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc2c1 ZINC000161213566 540135164 /nfs/dbraw/zinc/13/51/64/540135164.db2.gz PZSCYBXBWQBLAV-STQMWFEESA-N 1 0 299.374 2.243 20 70 CEIDRO CC(C)[N@H+](C)CCNC(=O)C[C@@H](C)c1ccncc1 ZINC000159781612 540431076 /nfs/dbraw/zinc/43/10/76/540431076.db2.gz OMJWROBDYNTKEU-CYBMUJFWSA-N 1 0 263.385 2.032 20 70 CEIDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CCO1 ZINC000159977753 540441275 /nfs/dbraw/zinc/44/12/75/540441275.db2.gz VCCDGWKLMMTKFV-AAEUAGOBSA-N 1 0 276.380 2.300 20 70 CEIDRO C[C@H](NC(=O)C[C@@H]1CCCC(C)(C)C1)[C@@H]1CN(C)CCO1 ZINC000160551886 540618788 /nfs/dbraw/zinc/61/87/88/540618788.db2.gz AUJJGCVZMBUKNE-KKUMJFAQSA-N 1 0 296.455 2.428 20 70 CEIDRO CC1(C)C[C@H]([NH2+]Cc2cnc3ccccn23)CCO1 ZINC000160625306 540628824 /nfs/dbraw/zinc/62/88/24/540628824.db2.gz XPQPOOPEUDHOPT-GFCCVEGCSA-N 1 0 259.353 2.382 20 70 CEIDRO CCN(CC[NH2+][C@@H](C)c1cnn(C)c1)C(=O)OC(C)(C)C ZINC000159461728 366915750 /nfs/dbraw/zinc/91/57/50/366915750.db2.gz NFJDGTUXZIIELT-LBPRGKRZSA-N 1 0 296.415 2.328 20 70 CEIDRO C[C@H](C(=O)NC1CCCCC1)N(C)Cc1cccnc1 ZINC000159474410 366916860 /nfs/dbraw/zinc/91/68/60/366916860.db2.gz TWUUXPICRCEKFB-CYBMUJFWSA-N 1 0 275.396 2.351 20 70 CEIDRO CC[C@H]([NH3+])C(=O)NCc1ccc(Br)cc1C ZINC000159545314 366923524 /nfs/dbraw/zinc/92/35/24/366923524.db2.gz AFUYVTNPCXICKZ-NSHDSACASA-N 1 0 285.185 2.111 20 70 CEIDRO Cc1cccc2c(CCNC(=O)[C@@H]3CCCC[NH2+]3)c[nH]c21 ZINC000159559120 366925247 /nfs/dbraw/zinc/92/52/47/366925247.db2.gz XLLCHVZPZSEPFQ-HNNXBMFYSA-N 1 0 285.391 2.277 20 70 CEIDRO CC[C@@H](C)OCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000159656409 366935989 /nfs/dbraw/zinc/93/59/89/366935989.db2.gz YNNWEYUPJJEIQS-DOMZBBRYSA-N 1 0 296.386 2.360 20 70 CEIDRO CCC[C@@H]1CN(C(=O)NC(CC)CC)CC[N@@H+]1CCOC ZINC000159676631 366938593 /nfs/dbraw/zinc/93/85/93/366938593.db2.gz RNDSGRINMSNRKX-OAHLLOKOSA-N 1 0 299.459 2.317 20 70 CEIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000159854965 366953185 /nfs/dbraw/zinc/95/31/85/366953185.db2.gz PIHXKICUNNEOEX-QWHCGFSZSA-N 1 0 278.421 2.370 20 70 CEIDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159831323 366951497 /nfs/dbraw/zinc/95/14/97/366951497.db2.gz JAYOKVQESBNYMQ-CYBMUJFWSA-N 1 0 291.439 2.488 20 70 CEIDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)CC(C)C ZINC000159836309 366953587 /nfs/dbraw/zinc/95/35/87/366953587.db2.gz QCYDTIJUXWAPSU-CYBMUJFWSA-N 1 0 257.422 2.452 20 70 CEIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cn1 ZINC000160068866 366969993 /nfs/dbraw/zinc/96/99/93/366969993.db2.gz BBRDZFRIGXMKBG-GFCCVEGCSA-N 1 0 274.368 2.453 20 70 CEIDRO C[C@@H](SCc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000159957084 366961999 /nfs/dbraw/zinc/96/19/99/366961999.db2.gz MCHNOEDFAJGMNW-LLVKDONJSA-N 1 0 266.410 2.162 20 70 CEIDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1(C)C ZINC000159993003 366964339 /nfs/dbraw/zinc/96/43/39/366964339.db2.gz CVYOKAPUNWGDHQ-GJZGRUSLSA-N 1 0 274.408 2.322 20 70 CEIDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000160114891 366974929 /nfs/dbraw/zinc/97/49/29/366974929.db2.gz CWXOYTGGCPBQKK-HNNXBMFYSA-N 1 0 290.455 2.370 20 70 CEIDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)O1 ZINC000160266289 366987978 /nfs/dbraw/zinc/98/79/78/366987978.db2.gz JNSPMDCVTMZHEH-CYBMUJFWSA-N 1 0 297.420 2.137 20 70 CEIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000160575419 367018068 /nfs/dbraw/zinc/01/80/68/367018068.db2.gz SYIJGKZCLJPHNO-WFASDCNBSA-N 1 0 286.379 2.033 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)c2csc3c2CCCC3)C1 ZINC000160601451 367021497 /nfs/dbraw/zinc/02/14/97/367021497.db2.gz XNXRIDUMQLNWAF-SNVBAGLBSA-N 1 0 264.394 2.061 20 70 CEIDRO CC(C)c1nc(N(C)C)nc(N2CCc3c[nH+]ccc32)n1 ZINC000160371641 366999762 /nfs/dbraw/zinc/99/97/62/366999762.db2.gz ZZMYHLBYZLEMSS-UHFFFAOYSA-N 1 0 284.367 2.150 20 70 CEIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000160373216 366999842 /nfs/dbraw/zinc/99/98/42/366999842.db2.gz QTJKVCKKOKEMOH-LBPRGKRZSA-N 1 0 287.388 2.373 20 70 CEIDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1)CC(OC)OC ZINC000160405706 367004305 /nfs/dbraw/zinc/00/43/05/367004305.db2.gz KJZMCLRTSVRYKE-UHFFFAOYSA-N 1 0 283.368 2.145 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc3ccccc3c2)C1 ZINC000160467431 367007688 /nfs/dbraw/zinc/00/76/88/367007688.db2.gz FLIXYJJRQCKWOP-HNNXBMFYSA-N 1 0 284.359 2.039 20 70 CEIDRO CCCn1c(C)nnc1CN(C)C1CC[NH+](CCC)CC1 ZINC000160506192 367011571 /nfs/dbraw/zinc/01/15/71/367011571.db2.gz SZMMZBMFVKQAAT-UHFFFAOYSA-N 1 0 293.459 2.303 20 70 CEIDRO CC[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160796503 367035857 /nfs/dbraw/zinc/03/58/57/367035857.db2.gz CUVRORQXIGKVIM-ZIAGYGMSSA-N 1 0 284.469 2.462 20 70 CEIDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000160947709 367046034 /nfs/dbraw/zinc/04/60/34/367046034.db2.gz FINQPOPGOICVNG-GFCCVEGCSA-N 1 0 264.369 2.261 20 70 CEIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160971897 367047143 /nfs/dbraw/zinc/04/71/43/367047143.db2.gz JRCCPBIXRKPTKY-OLZOCXBDSA-N 1 0 278.396 2.301 20 70 CEIDRO C[N@H+](CCOc1ccccc1F)[C@@H]1CCCC[C@@H]1O ZINC000161079799 367054706 /nfs/dbraw/zinc/05/47/06/367054706.db2.gz PPHKMTQMCWAKGM-KGLIPLIRSA-N 1 0 267.344 2.440 20 70 CEIDRO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)c1C ZINC000161086519 367055009 /nfs/dbraw/zinc/05/50/09/367055009.db2.gz VFBFKCNDVWMTRA-CVEARBPZSA-N 1 0 290.407 2.477 20 70 CEIDRO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000161096076 367056844 /nfs/dbraw/zinc/05/68/44/367056844.db2.gz NOSYIKJBMCBZLW-NWDGAFQWSA-N 1 0 266.410 2.185 20 70 CEIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000161118397 367059638 /nfs/dbraw/zinc/05/96/38/367059638.db2.gz GTJINMKFLPPNIR-ZDUSSCGKSA-N 1 0 273.380 2.180 20 70 CEIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000161134163 367060838 /nfs/dbraw/zinc/06/08/38/367060838.db2.gz HNTUTKCSIUMYNL-GFCCVEGCSA-N 1 0 253.390 2.103 20 70 CEIDRO CC[N@H+](C)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000161136880 367060914 /nfs/dbraw/zinc/06/09/14/367060914.db2.gz COXYVJIHGXELMO-HNNXBMFYSA-N 1 0 293.386 2.454 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C12CCCCC2 ZINC000161178882 367065180 /nfs/dbraw/zinc/06/51/80/367065180.db2.gz QUVITEUWDLJNCO-RRFJBIMHSA-N 1 0 294.439 2.373 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1nc(Cl)ccc1Cl ZINC000161183810 367065383 /nfs/dbraw/zinc/06/53/83/367065383.db2.gz JCMPJAVGTLMUFI-QMMMGPOBSA-N 1 0 288.178 2.212 20 70 CEIDRO COC(C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)OC ZINC000161279691 367074667 /nfs/dbraw/zinc/07/46/67/367074667.db2.gz LEIGJFQGRBFVCH-OAHLLOKOSA-N 1 0 279.380 2.144 20 70 CEIDRO CO[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1cccc(Cl)c1 ZINC000161410079 367083202 /nfs/dbraw/zinc/08/32/02/367083202.db2.gz OHKQQWBQLIGDSK-UONOGXRCSA-N 1 0 296.798 2.286 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1cc(C)ccc1F ZINC000161394044 367083828 /nfs/dbraw/zinc/08/38/28/367083828.db2.gz PGNYSAJNCAQJIC-CYBMUJFWSA-N 1 0 296.386 2.359 20 70 CEIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000161417670 367084975 /nfs/dbraw/zinc/08/49/75/367084975.db2.gz MKADMQQPFRIYAQ-LBPRGKRZSA-N 1 0 289.379 2.331 20 70 CEIDRO CC[N@H+](CCn1ccnc1)Cc1ccc(OC)cc1 ZINC000161423509 367085282 /nfs/dbraw/zinc/08/52/82/367085282.db2.gz SHDYRPHMPDGGAB-UHFFFAOYSA-N 1 0 259.353 2.414 20 70 CEIDRO CC[C@H](C(=O)NCc1nc(C(C)C)cs1)[NH+](C)C ZINC000161444334 367088122 /nfs/dbraw/zinc/08/81/22/367088122.db2.gz DASWWBXLCVVFJX-LLVKDONJSA-N 1 0 269.414 2.223 20 70 CEIDRO CC[N@H+](CCNCc1ccc(C(=O)OC)c(F)c1)C1CC1 ZINC000218568441 370211356 /nfs/dbraw/zinc/21/13/56/370211356.db2.gz ASUPWBHIBCYINB-UHFFFAOYSA-N 1 0 294.370 2.186 20 70 CEIDRO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000217896511 370202534 /nfs/dbraw/zinc/20/25/34/370202534.db2.gz WFZNINXSWNJFAQ-KGLIPLIRSA-N 1 0 276.380 2.069 20 70 CEIDRO c1cc(C[NH2+]C2CCN(c3ccccc3)CC2)n[nH]1 ZINC000218127480 370205460 /nfs/dbraw/zinc/20/54/60/370205460.db2.gz CLKXTWGNGOHZRW-UHFFFAOYSA-N 1 0 256.353 2.168 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000160618187 533037269 /nfs/dbraw/zinc/03/72/69/533037269.db2.gz NNCZUSFIUDFERI-LBPRGKRZSA-N 1 0 292.427 2.195 20 70 CEIDRO COc1ccc(CN(C)CC[NH+]2CCCC2)cc1F ZINC000159724854 533539381 /nfs/dbraw/zinc/53/93/81/533539381.db2.gz NUKACBZTPJXLAB-UHFFFAOYSA-N 1 0 266.360 2.362 20 70 CEIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCOC2=O)n1 ZINC000160145296 395059733 /nfs/dbraw/zinc/05/97/33/395059733.db2.gz ULKQGNZOPHNSMK-HIFRSBDPSA-N 1 0 274.364 2.480 20 70 CEIDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)NC(C)C)CCCO2 ZINC000160956919 395061539 /nfs/dbraw/zinc/06/15/39/395061539.db2.gz CWHHTUOAFYPUSK-CQSZACIVSA-N 1 0 276.380 2.323 20 70 CEIDRO CC[C@H](C(=O)NCCc1nc2c(s1)CCCC2)[NH+](C)C ZINC000160899114 395062117 /nfs/dbraw/zinc/06/21/17/395062117.db2.gz OHLQXEQQNVPVLQ-GFCCVEGCSA-N 1 0 295.452 2.021 20 70 CEIDRO CCc1ncnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000217977833 153295586 /nfs/dbraw/zinc/29/55/86/153295586.db2.gz BKLCXPXPPBWKRW-WDEREUQCSA-N 1 0 264.348 2.217 20 70 CEIDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000218010868 153296974 /nfs/dbraw/zinc/29/69/74/153296974.db2.gz NXJSXNKVJKGYKV-GUTXKFCHSA-N 1 0 278.396 2.213 20 70 CEIDRO CC(C)(C)n1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000218134261 153299969 /nfs/dbraw/zinc/29/99/69/153299969.db2.gz TVKNKQGNMSEUIX-CABCVRRESA-N 1 0 276.428 2.355 20 70 CEIDRO c1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159644055 162310387 /nfs/dbraw/zinc/31/03/87/162310387.db2.gz YPLZVPSRBHQRNU-TUAOUCFPSA-N 1 0 250.367 2.190 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159772521 162313487 /nfs/dbraw/zinc/31/34/87/162313487.db2.gz YIAHBILBEHKJCI-GWCFXTLKSA-N 1 0 282.359 2.083 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)NCc1ccccc1OC1CCC1 ZINC000159709956 162313783 /nfs/dbraw/zinc/31/37/83/162313783.db2.gz QNWAPDJLHFQCPY-LBPRGKRZSA-N 1 0 276.380 2.090 20 70 CEIDRO CN(C(=O)c1ccc2ncccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159810010 162315716 /nfs/dbraw/zinc/31/57/16/162315716.db2.gz RRIBGTNGLDEBGI-OAHLLOKOSA-N 1 0 269.348 2.044 20 70 CEIDRO CCS[C@@H]1CCCC[N@H+](CCn2ccnc2)C1 ZINC000159816242 162315935 /nfs/dbraw/zinc/31/59/35/162315935.db2.gz FMEOCJOMWGUOAO-CYBMUJFWSA-N 1 0 253.415 2.491 20 70 CEIDRO COc1cc(CN2CCCC[C@H]2CC[NH3+])cc2c1OCO2 ZINC000159983961 162320330 /nfs/dbraw/zinc/32/03/30/162320330.db2.gz WDELEJUQKFLIGU-ZDUSSCGKSA-N 1 0 292.379 2.127 20 70 CEIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(F)c1 ZINC000159952289 162320741 /nfs/dbraw/zinc/32/07/41/162320741.db2.gz RXEIMFVLFHHILS-DFBGVHRSSA-N 1 0 276.355 2.282 20 70 CEIDRO Cc1ccc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000160123208 162321534 /nfs/dbraw/zinc/32/15/34/162321534.db2.gz HOJLASMCVRPDJG-GASCZTMLSA-N 1 0 288.391 2.035 20 70 CEIDRO O[C@@H]([C@@H]1CCCN1Cc1cnc2ccccn12)C(F)(F)F ZINC000160238395 162324926 /nfs/dbraw/zinc/32/49/26/162324926.db2.gz LDAZJEUKGZSAQH-AAEUAGOBSA-N 1 0 299.296 2.222 20 70 CEIDRO CC1(C)CC[C@H](C[NH2+]Cc2cccc3c2OCO3)O1 ZINC000160234390 162325962 /nfs/dbraw/zinc/32/59/62/162325962.db2.gz GRZVEVRDJLLPRL-GFCCVEGCSA-N 1 0 263.337 2.463 20 70 CEIDRO CCOc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)ncn1 ZINC000160427957 276370356 /nfs/dbraw/zinc/37/03/56/276370356.db2.gz VPIYYAOEQNRYBO-AWEZNQCLSA-N 1 0 290.411 2.330 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000160557105 278534118 /nfs/dbraw/zinc/53/41/18/278534118.db2.gz AVVLUCJFCARITE-CQSZACIVSA-N 1 0 265.401 2.008 20 70 CEIDRO CC(C)CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160295785 278753667 /nfs/dbraw/zinc/75/36/67/278753667.db2.gz PQEHGXCNBRPZJI-DVOMOZLQSA-N 1 0 282.428 2.071 20 70 CEIDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160122000 288323850 /nfs/dbraw/zinc/32/38/50/288323850.db2.gz UELCANDHBUBLOA-YINFPWJTSA-N 1 0 276.424 2.173 20 70 CEIDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1c(C)nn(C)c1C ZINC000159718561 297430448 /nfs/dbraw/zinc/43/04/48/297430448.db2.gz QTGPFIYEBBDGND-GFCCVEGCSA-N 1 0 253.390 2.239 20 70 CEIDRO CCOC(=O)N1CCC([NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000160203331 312637138 /nfs/dbraw/zinc/63/71/38/312637138.db2.gz OVAJSAFBEAXQFD-ZDUSSCGKSA-N 1 0 284.400 2.155 20 70 CEIDRO CC(C)C[C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000161472738 519264239 /nfs/dbraw/zinc/26/42/39/519264239.db2.gz HXPPNTBJTXTAMF-DZGCQCFKSA-N 1 0 252.402 2.271 20 70 CEIDRO CCC[N@@H+]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000160381951 519849436 /nfs/dbraw/zinc/84/94/36/519849436.db2.gz LVMMEANFMYBCGZ-CQSZACIVSA-N 1 0 250.386 2.287 20 70 CEIDRO CCOC[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160944052 520180014 /nfs/dbraw/zinc/18/00/14/520180014.db2.gz VUQGYSOXYCVYPS-ZDUSSCGKSA-N 1 0 259.353 2.193 20 70 CEIDRO CC[NH+](CC)[C@H]1CCN(C(=O)N2CCC(C)CC2)C1 ZINC000160556098 520870577 /nfs/dbraw/zinc/87/05/77/520870577.db2.gz OQFQLWZRQFYHOL-AWEZNQCLSA-N 1 0 267.417 2.254 20 70 CEIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000161419485 523043052 /nfs/dbraw/zinc/04/30/52/523043052.db2.gz MQQTYAJSHYNRBB-KBPBESRZSA-N 1 0 288.395 2.054 20 70 CEIDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000161472814 524206606 /nfs/dbraw/zinc/20/66/06/524206606.db2.gz XMXHHYAETNXXGH-CHWSQXEVSA-N 1 0 276.355 2.491 20 70 CEIDRO C[C@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@@H]1O ZINC000159413326 524627637 /nfs/dbraw/zinc/62/76/37/524627637.db2.gz QYNFNOUFFLLPEU-WFASDCNBSA-N 1 0 256.349 2.438 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2OC(F)F)C1 ZINC000160948463 574513098 /nfs/dbraw/zinc/51/30/98/574513098.db2.gz HPNPAQMBDNZGBI-VHSXEESVSA-N 1 0 284.306 2.288 20 70 CEIDRO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccsc1 ZINC000159516530 344454872 /nfs/dbraw/zinc/45/48/72/344454872.db2.gz VEETXBAZOSTRQT-RYUDHWBXSA-N 1 0 266.410 2.310 20 70 CEIDRO COc1cccc(CCC[N@@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000159855945 344456308 /nfs/dbraw/zinc/45/63/08/344456308.db2.gz CDYVTFWSKUIYHC-OAHLLOKOSA-N 1 0 290.407 2.358 20 70 CEIDRO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000160136566 344457520 /nfs/dbraw/zinc/45/75/20/344457520.db2.gz QAMLWDLRSIWDFX-JQWIXIFHSA-N 1 0 252.383 2.062 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C(=O)OC)ccn1 ZINC000218257277 344536434 /nfs/dbraw/zinc/53/64/34/344536434.db2.gz RANBEPFEXOKIMG-LLVKDONJSA-N 1 0 265.357 2.010 20 70 CEIDRO CCn1c(C)cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000161346082 232254036 /nfs/dbraw/zinc/25/40/36/232254036.db2.gz WZOABLGYPAKYAI-OLZOCXBDSA-N 1 0 263.385 2.125 20 70 CEIDRO O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H]1CCCC[NH2+]1 ZINC000159379821 232246886 /nfs/dbraw/zinc/24/68/86/232246886.db2.gz NSBSZHZJMAJVHP-JIMOISOXSA-N 1 0 280.318 2.079 20 70 CEIDRO O=C(C[C@H]1CCC[NH2+]1)NCC1(c2cccc(F)c2)CC1 ZINC000160544113 188479774 /nfs/dbraw/zinc/47/97/74/188479774.db2.gz YHWPTZVJKSIOBL-CQSZACIVSA-N 1 0 276.355 2.116 20 70 CEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000161346730 188523140 /nfs/dbraw/zinc/52/31/40/188523140.db2.gz DDFVUSXLWQEUCL-BPUTZDHNSA-N 1 0 274.408 2.478 20 70 CEIDRO CC(C)[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000159596167 540098944 /nfs/dbraw/zinc/09/89/44/540098944.db2.gz UCKQYVZZNBDJKS-PWSUYJOCSA-N 1 0 278.318 2.033 20 70 CEIDRO CC(C)OCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000160363710 540115869 /nfs/dbraw/zinc/11/58/69/540115869.db2.gz DJMXJXITRWZWEI-AWEZNQCLSA-N 1 0 264.369 2.008 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2cccs2)C1 ZINC000160950536 540128233 /nfs/dbraw/zinc/12/82/33/540128233.db2.gz YBROCHAPRKMQDM-NWDGAFQWSA-N 1 0 266.410 2.457 20 70 CEIDRO CSc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000161030691 540131003 /nfs/dbraw/zinc/13/10/03/540131003.db2.gz GLQPGIOFLGXKKN-BDAKNGLRSA-N 1 0 254.355 2.001 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCOc1ccc(C)cc1 ZINC000161243482 540136100 /nfs/dbraw/zinc/13/61/00/540136100.db2.gz RIJXVDXNFKGPGD-OAHLLOKOSA-N 1 0 290.407 2.364 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000161315991 540136607 /nfs/dbraw/zinc/13/66/07/540136607.db2.gz FCHINPZPCJXGOR-DTWKUNHWSA-N 1 0 272.270 2.104 20 70 CEIDRO CCCc1ncc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161192067 540134886 /nfs/dbraw/zinc/13/48/86/540134886.db2.gz MDNFJDNRATYKNR-VHSXEESVSA-N 1 0 267.398 2.095 20 70 CEIDRO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000160825112 540665535 /nfs/dbraw/zinc/66/55/35/540665535.db2.gz PIIDIFRTDYYGPN-BBRMVZONSA-N 1 0 290.407 2.333 20 70 CEIDRO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000160825000 540665084 /nfs/dbraw/zinc/66/50/84/540665084.db2.gz PIIDIFRTDYYGPN-CJNGLKHVSA-N 1 0 290.407 2.333 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000161432967 283858402 /nfs/dbraw/zinc/85/84/02/283858402.db2.gz BZLPJWXBFMRXET-YNEHKIRRSA-N 1 0 268.426 2.015 20 70 CEIDRO CN(Cc1ccccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000159687753 366940462 /nfs/dbraw/zinc/94/04/62/366940462.db2.gz HRCYEMHUBKGPAZ-LBPRGKRZSA-N 1 0 270.323 2.457 20 70 CEIDRO CC1=C(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCCO1 ZINC000159720964 366942992 /nfs/dbraw/zinc/94/29/92/366942992.db2.gz LLROANCKXZAIAB-DZGCQCFKSA-N 1 0 278.396 2.014 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000159369348 366905923 /nfs/dbraw/zinc/90/59/23/366905923.db2.gz BYHPUWDDSYONJC-MRXNPFEDSA-N 1 0 292.423 2.377 20 70 CEIDRO CC[N@H+](CCOC[C@H]1CCCO1)CCc1nccs1 ZINC000159427032 366912302 /nfs/dbraw/zinc/91/23/02/366912302.db2.gz DCPZQPBBTADQSS-CYBMUJFWSA-N 1 0 284.425 2.203 20 70 CEIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc2[nH]cnc21 ZINC000159433991 366913220 /nfs/dbraw/zinc/91/32/20/366913220.db2.gz KWWJRPWEGKFTOR-LBPRGKRZSA-N 1 0 298.390 2.310 20 70 CEIDRO [NH3+]Cc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000159503570 366919701 /nfs/dbraw/zinc/91/97/01/366919701.db2.gz ZKINUGXPZOFJSA-UHFFFAOYSA-N 1 0 293.330 2.183 20 70 CEIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C2([NH3+])CC2)cc1 ZINC000159529710 366923074 /nfs/dbraw/zinc/92/30/74/366923074.db2.gz UNVXYUNZDXCANW-CABCVRRESA-N 1 0 288.391 2.070 20 70 CEIDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159540949 366923436 /nfs/dbraw/zinc/92/34/36/366923436.db2.gz MDOLJQYEYQISNK-UGUYLWEFSA-N 1 0 296.455 2.116 20 70 CEIDRO O=C(COc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159593024 366930194 /nfs/dbraw/zinc/93/01/94/366930194.db2.gz ARJVOBPNAOALHL-BETUJISGSA-N 1 0 294.782 2.072 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000159600280 366931488 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Cc1cccc(OCCCCC(=O)NCCC[NH3+])c1 ZINC000160056833 366969981 /nfs/dbraw/zinc/96/99/81/366969981.db2.gz USKOHXYSASNALN-UHFFFAOYSA-N 1 0 264.369 2.009 20 70 CEIDRO Cc1ccc(F)c(OCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000159918727 366959104 /nfs/dbraw/zinc/95/91/04/366959104.db2.gz SAHWXDRVKDTNFP-ZDUSSCGKSA-N 1 0 294.370 2.066 20 70 CEIDRO CC(C)([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000159991327 366963499 /nfs/dbraw/zinc/96/34/99/366963499.db2.gz AIEXHDQCHNGEMA-UHFFFAOYSA-N 1 0 283.169 2.076 20 70 CEIDRO COC(=O)c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000159991224 366964105 /nfs/dbraw/zinc/96/41/05/366964105.db2.gz PUMLLDGHCLZRSJ-CHWSQXEVSA-N 1 0 260.337 2.100 20 70 CEIDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000160058097 366970303 /nfs/dbraw/zinc/97/03/03/366970303.db2.gz PLNFVXHZUQTOQV-VMPITWQZSA-N 1 0 284.306 2.155 20 70 CEIDRO C[C@@H]1C[C@H](C)CN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000160030515 366966868 /nfs/dbraw/zinc/96/68/68/366966868.db2.gz LNFCCTNKHGYIEX-XKSGDERDSA-N 1 0 294.439 2.023 20 70 CEIDRO [NH3+]CCCNC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000160027436 366967080 /nfs/dbraw/zinc/96/70/80/366967080.db2.gz AXVNKNFOWYAHIH-UHFFFAOYSA-N 1 0 285.756 2.135 20 70 CEIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160081516 366971741 /nfs/dbraw/zinc/97/17/41/366971741.db2.gz VUGMLXSFJORBMQ-IUODEOHRSA-N 1 0 298.452 2.192 20 70 CEIDRO CC[N@H+](CCNC(=O)c1cnn(CC(C)C)c1C)C1CC1 ZINC000160148709 366976588 /nfs/dbraw/zinc/97/65/88/366976588.db2.gz OKLSMRXWNMGAPL-UHFFFAOYSA-N 1 0 292.427 2.062 20 70 CEIDRO CCCN(CC1CC1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160189211 366981474 /nfs/dbraw/zinc/98/14/74/366981474.db2.gz NSLMXRXHXGZPPV-JKIFEVAISA-N 1 0 294.439 2.168 20 70 CEIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000160198629 366982573 /nfs/dbraw/zinc/98/25/73/366982573.db2.gz PWTUCNNUQAUUST-CYBMUJFWSA-N 1 0 283.331 2.047 20 70 CEIDRO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@]1(C)CCCS1 ZINC000160236109 366986373 /nfs/dbraw/zinc/98/63/73/366986373.db2.gz AALMXUUIQRPITJ-TZMCWYRMSA-N 1 0 287.473 2.302 20 70 CEIDRO Cc1noc(Cl)c1CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000160258161 366987870 /nfs/dbraw/zinc/98/78/70/366987870.db2.gz ZEYZHRKQAGLIHR-SNVBAGLBSA-N 1 0 299.802 2.027 20 70 CEIDRO CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160256412 366988270 /nfs/dbraw/zinc/98/82/70/366988270.db2.gz WGPJGNBDPVGIER-DGCLKSJQSA-N 1 0 264.394 2.117 20 70 CEIDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160318546 366994729 /nfs/dbraw/zinc/99/47/29/366994729.db2.gz WYOQUDSPRKAQOB-VIFPVBQESA-N 1 0 277.755 2.112 20 70 CEIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)[C@H](C)C2)C1 ZINC000160064892 366970547 /nfs/dbraw/zinc/97/05/47/366970547.db2.gz MNOHZIANPPLBNV-RRFJBIMHSA-N 1 0 281.444 2.406 20 70 CEIDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)o1 ZINC000160576187 367019617 /nfs/dbraw/zinc/01/96/17/367019617.db2.gz CLQWFXOEXMIDRM-ZYHUDNBSSA-N 1 0 274.368 2.408 20 70 CEIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000160366146 366999202 /nfs/dbraw/zinc/99/92/02/366999202.db2.gz FYPBMBRRPDCCIR-QAETUUGQSA-N 1 0 299.455 2.347 20 70 CEIDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1O ZINC000160472038 367008723 /nfs/dbraw/zinc/00/87/23/367008723.db2.gz UEASIJKLWCNVRK-GFCCVEGCSA-N 1 0 265.353 2.448 20 70 CEIDRO CC[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160478671 367008812 /nfs/dbraw/zinc/00/88/12/367008812.db2.gz HCGAXJFQFKCWQL-CQSZACIVSA-N 1 0 262.397 2.407 20 70 CEIDRO CN(C(=O)NC1CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000160515272 367012506 /nfs/dbraw/zinc/01/25/06/367012506.db2.gz TYCHKNVNIJNUDF-ZDUSSCGKSA-N 1 0 253.390 2.055 20 70 CEIDRO CCCCCOc1ccc(CN2CCNC(=O)C2)cc1 ZINC000160505185 367012561 /nfs/dbraw/zinc/01/25/61/367012561.db2.gz AHZGSFDUNYNBRY-UHFFFAOYSA-N 1 0 276.380 2.187 20 70 CEIDRO CC1(C)CC[C@@H](C[N@H+](CCO)Cc2ccccc2)O1 ZINC000160833165 367037210 /nfs/dbraw/zinc/03/72/10/367037210.db2.gz VRLXOPGHPICXFU-HNNXBMFYSA-N 1 0 263.381 2.439 20 70 CEIDRO Cc1ccnc(-c2ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc2)n1 ZINC000160878950 367039543 /nfs/dbraw/zinc/03/95/43/367039543.db2.gz ZQMZDACOWSSGLV-AWEZNQCLSA-N 1 0 284.363 2.374 20 70 CEIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000161350734 367079536 /nfs/dbraw/zinc/07/95/36/367079536.db2.gz OUXBYXDEMLDYBN-HOCLYGCPSA-N 1 0 274.408 2.493 20 70 CEIDRO [NH3+]CCC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161010117 367049599 /nfs/dbraw/zinc/04/95/99/367049599.db2.gz NEIWWVHXAOZEIN-GFCCVEGCSA-N 1 0 284.812 2.305 20 70 CEIDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1F)C(N)=O ZINC000161007580 367049917 /nfs/dbraw/zinc/04/99/17/367049917.db2.gz CLMLBTFRKRGPSP-VXGBXAGGSA-N 1 0 256.296 2.269 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161045278 367050790 /nfs/dbraw/zinc/05/07/90/367050790.db2.gz IERQDIZGOLEQPV-OUJBWJOFSA-N 1 0 250.317 2.082 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000161044632 367050990 /nfs/dbraw/zinc/05/09/90/367050990.db2.gz HAMVMVCGKUZEIX-DDTOSNHZSA-N 1 0 264.344 2.473 20 70 CEIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)NC1CCCC1 ZINC000161076870 367053425 /nfs/dbraw/zinc/05/34/25/367053425.db2.gz JYYRLMBTXXFAKR-CYBMUJFWSA-N 1 0 275.396 2.351 20 70 CEIDRO CCC[N@H+](C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078966 367055072 /nfs/dbraw/zinc/05/50/72/367055072.db2.gz RNSYNXXJYCVMRW-ZIAGYGMSSA-N 1 0 271.426 2.242 20 70 CEIDRO C[N@H+](CCOc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1O ZINC000161078950 367055151 /nfs/dbraw/zinc/05/51/51/367055151.db2.gz KRKRSHOGOFVMCM-CABCVRRESA-N 1 0 267.344 2.440 20 70 CEIDRO CCc1nc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000161179442 367065150 /nfs/dbraw/zinc/06/51/50/367065150.db2.gz ZDTSSHNRVDHHKQ-ZDUSSCGKSA-N 1 0 299.378 2.067 20 70 CEIDRO C[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)C1CCOCC1 ZINC000161251053 367071289 /nfs/dbraw/zinc/07/12/89/367071289.db2.gz YOGMCBDMVVUDGM-HLIUYOAVSA-N 1 0 296.455 2.286 20 70 CEIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000161317192 367077328 /nfs/dbraw/zinc/07/73/28/367077328.db2.gz MJFUCOQZXHEPMI-SECBINFHSA-N 1 0 286.297 2.176 20 70 CEIDRO O=C(Nc1ccc(F)cc1OCC1CC1)[C@H]1CC[NH2+]C1 ZINC000160679624 367026510 /nfs/dbraw/zinc/02/65/10/367026510.db2.gz OTQVSEMDQKURSU-NSHDSACASA-N 1 0 278.327 2.163 20 70 CEIDRO O=C(Nc1ccc(F)cc1OCC1CC1)[C@@H]1CC[NH2+]C1 ZINC000160679491 367026775 /nfs/dbraw/zinc/02/67/75/367026775.db2.gz OTQVSEMDQKURSU-LLVKDONJSA-N 1 0 278.327 2.163 20 70 CEIDRO CC[C@@H](C)OCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000160690516 367028442 /nfs/dbraw/zinc/02/84/42/367028442.db2.gz LJRIGAPBYLHVHX-UONOGXRCSA-N 1 0 284.444 2.428 20 70 CEIDRO CC(C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700829 367028583 /nfs/dbraw/zinc/02/85/83/367028583.db2.gz PIFXRHDJXDTGEM-ZIAGYGMSSA-N 1 0 297.349 2.418 20 70 CEIDRO C[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCS1 ZINC000160707693 367028821 /nfs/dbraw/zinc/02/88/21/367028821.db2.gz PIYQPZCJQIAUFJ-WFASDCNBSA-N 1 0 297.468 2.056 20 70 CEIDRO Cc1ccc(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000161419020 367085154 /nfs/dbraw/zinc/08/51/54/367085154.db2.gz OLTGBRLMNDJYAG-FUNVUKJBSA-N 1 0 278.421 2.340 20 70 CEIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000161426752 367085494 /nfs/dbraw/zinc/08/54/94/367085494.db2.gz ZXHPBUKUFSNYGI-RYUDHWBXSA-N 1 0 296.436 2.434 20 70 CEIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)NCC(F)(F)F ZINC000217888384 299377157 /nfs/dbraw/zinc/37/71/57/299377157.db2.gz VUJZZWCRTGMWOP-VPOLOUISSA-N 1 0 280.334 2.468 20 70 CEIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(F)cc1N(C)C ZINC000160638931 296116915 /nfs/dbraw/zinc/11/69/15/296116915.db2.gz AMQRMSIOBGPICA-SNVBAGLBSA-N 1 0 254.349 2.313 20 70 CEIDRO C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H]3C[NH3+])cc2C1 ZINC000160167582 395059676 /nfs/dbraw/zinc/05/96/76/395059676.db2.gz VWEYHTQTINNOPZ-ZYHUDNBSSA-N 1 0 278.421 2.436 20 70 CEIDRO CC1CCN(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000160706703 395061885 /nfs/dbraw/zinc/06/18/85/395061885.db2.gz HKKRFUNASXCQAW-GJZGRUSLSA-N 1 0 279.428 2.254 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000217844090 153296142 /nfs/dbraw/zinc/29/61/42/153296142.db2.gz AFZYOMMZCYZVKG-AWEZNQCLSA-N 1 0 295.408 2.182 20 70 CEIDRO c1cn(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000159806421 162317192 /nfs/dbraw/zinc/31/71/92/162317192.db2.gz QIEPOAIKAZXQNU-KRWDZBQOSA-N 1 0 290.455 2.471 20 70 CEIDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCOCC2CC2)CC1 ZINC000159962825 162318713 /nfs/dbraw/zinc/31/87/13/162318713.db2.gz LKNLLMYWUSSJEM-CQSZACIVSA-N 1 0 296.455 2.286 20 70 CEIDRO COC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)C1CC1 ZINC000159940795 162319786 /nfs/dbraw/zinc/31/97/86/162319786.db2.gz YQPDXNRTAZDVCA-CZUORRHYSA-N 1 0 274.408 2.452 20 70 CEIDRO Cc1cccc([C@H]2CCCN2CCS(=O)(=O)C(C)C)n1 ZINC000159921547 162320279 /nfs/dbraw/zinc/32/02/79/162320279.db2.gz GPUULGVHOWERNW-OAHLLOKOSA-N 1 0 296.436 2.350 20 70 CEIDRO CO[C@]1(C[NH2+]Cc2ccc(C3CC3)cc2)CCOC1 ZINC000160097475 162323583 /nfs/dbraw/zinc/32/35/83/162323583.db2.gz CHAFKAODDOLDMY-INIZCTEOSA-N 1 0 261.365 2.459 20 70 CEIDRO CC(C)[C@H](C(=O)N(C)CCOc1ccc(F)cc1)[NH+](C)C ZINC000160091810 162323960 /nfs/dbraw/zinc/32/39/60/162323960.db2.gz ZHAXBIHIHJDVQZ-OAHLLOKOSA-N 1 0 296.386 2.249 20 70 CEIDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1cnn(C)c1 ZINC000160079701 162324340 /nfs/dbraw/zinc/32/43/40/162324340.db2.gz ZUBYCQWZMCCGNS-JTQLQIEISA-N 1 0 281.306 2.428 20 70 CEIDRO CCCCOCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000160297842 165033372 /nfs/dbraw/zinc/03/33/72/165033372.db2.gz OOSBNVHHCNJAEI-UHFFFAOYSA-N 1 0 276.380 2.226 20 70 CEIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000161214374 276366414 /nfs/dbraw/zinc/36/64/14/276366414.db2.gz UGPLFMJEEZIIBO-ZFWWWQNUSA-N 1 0 254.418 2.266 20 70 CEIDRO CC(C)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159911556 278042571 /nfs/dbraw/zinc/04/25/71/278042571.db2.gz IXXVZDVUBZVHQZ-HNNXBMFYSA-N 1 0 296.436 2.168 20 70 CEIDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCC2(CCC2)C1 ZINC000159730711 279825464 /nfs/dbraw/zinc/82/54/64/279825464.db2.gz JYEOBWGTXLQDSY-UHFFFAOYSA-N 1 0 277.412 2.199 20 70 CEIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160123195 280095541 /nfs/dbraw/zinc/09/55/41/280095541.db2.gz WPQSXJOHHGNTNW-CYBMUJFWSA-N 1 0 290.386 2.342 20 70 CEIDRO c1c[nH]c(C[NH2+]C2CCN(c3ccccc3)CC2)n1 ZINC000218236295 280464025 /nfs/dbraw/zinc/46/40/25/280464025.db2.gz LCQMVUPANRIUFM-UHFFFAOYSA-N 1 0 256.353 2.168 20 70 CEIDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccncc1 ZINC000160988544 290055924 /nfs/dbraw/zinc/05/59/24/290055924.db2.gz DRIYQCDHNLMECP-QEJZJMRPSA-N 1 0 262.353 2.070 20 70 CEIDRO COC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc21)C1CC1 ZINC000159940499 293150110 /nfs/dbraw/zinc/15/01/10/293150110.db2.gz YQPDXNRTAZDVCA-CJNGLKHVSA-N 1 0 274.408 2.452 20 70 CEIDRO Cc1cccc(CCC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159834571 297431381 /nfs/dbraw/zinc/43/13/81/297431381.db2.gz GSQISTJAORCVPK-HNNXBMFYSA-N 1 0 260.381 2.123 20 70 CEIDRO c1nc2ccccn2c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159669201 312633140 /nfs/dbraw/zinc/63/31/40/312633140.db2.gz BSQAPSQCMZVGGR-BMFZPTHFSA-N 1 0 283.375 2.382 20 70 CEIDRO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1(C)C ZINC000159769995 312633953 /nfs/dbraw/zinc/63/39/53/312633953.db2.gz LAGJMOOIBCAAPF-KBPBESRZSA-N 1 0 297.443 2.103 20 70 CEIDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1sccc1Br ZINC000160679178 312639260 /nfs/dbraw/zinc/63/92/60/312639260.db2.gz BICIEKJQMCXDQG-NKWVEPMBSA-N 1 0 291.214 2.425 20 70 CEIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000160646966 519903481 /nfs/dbraw/zinc/90/34/81/519903481.db2.gz HINSQKAQRRNOCT-MRXNPFEDSA-N 1 0 290.407 2.341 20 70 CEIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000161341158 522030721 /nfs/dbraw/zinc/03/07/21/522030721.db2.gz LURNNPUCNBICDB-RYUDHWBXSA-N 1 0 291.395 2.402 20 70 CEIDRO CC[C@H](CCO)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000159562723 522165394 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ZINC000160184246 344457602 /nfs/dbraw/zinc/45/76/02/344457602.db2.gz NZQZCQZAHRWNJD-LLVKDONJSA-N 1 0 254.399 2.308 20 70 CEIDRO CCC(CC)CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000160559262 344459391 /nfs/dbraw/zinc/45/93/91/344459391.db2.gz LQFPJSAITKCATL-UHFFFAOYSA-N 1 0 255.406 2.160 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000160736138 290813301 /nfs/dbraw/zinc/81/33/01/290813301.db2.gz MBOPYIUXDLWNHW-OAHLLOKOSA-N 1 0 272.392 2.319 20 70 CEIDRO CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160705978 188488145 /nfs/dbraw/zinc/48/81/45/188488145.db2.gz JTCFOKLNTIQXLB-KBPBESRZSA-N 1 0 290.407 2.399 20 70 CEIDRO CC(C)Oc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161337698 188522154 /nfs/dbraw/zinc/52/21/54/188522154.db2.gz PQOCKQNXRSRLTN-KRWDZBQOSA-N 1 0 290.407 2.480 20 70 CEIDRO CCOc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161333497 188522248 /nfs/dbraw/zinc/52/22/48/188522248.db2.gz PZBCSRPNCOPLAU-INIZCTEOSA-N 1 0 276.380 2.091 20 70 CEIDRO CCCn1nccc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000160034081 540110403 /nfs/dbraw/zinc/11/04/03/540110403.db2.gz YLXAMUCXCSXUKU-HUUCEWRRSA-N 1 0 262.401 2.010 20 70 CEIDRO C[NH2+][C@H]1CCN(C(=O)c2cc3cccc(F)c3o2)C1 ZINC000160539398 540118074 /nfs/dbraw/zinc/11/80/74/540118074.db2.gz MHLXVFHKRNOAGO-JTQLQIEISA-N 1 0 262.284 2.006 20 70 CEIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000160775220 540122270 /nfs/dbraw/zinc/12/22/70/540122270.db2.gz WTKOOCGYBALRNB-NWDGAFQWSA-N 1 0 269.348 2.235 20 70 CEIDRO Cc1cc(C)cc(OCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160866238 540125836 /nfs/dbraw/zinc/12/58/36/540125836.db2.gz CVHBPCHJVNLWEA-CABCVRRESA-N 1 0 290.407 2.458 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c(F)c(F)cc(F)c2F)C1 ZINC000160891961 540126207 /nfs/dbraw/zinc/12/62/07/540126207.db2.gz RSDNWKIOARBQJS-BQBZGAKWSA-N 1 0 290.260 2.243 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000161037530 540132017 /nfs/dbraw/zinc/13/20/17/540132017.db2.gz SAAUZORQISVUDS-KGLIPLIRSA-N 1 0 276.355 2.243 20 70 CEIDRO C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)Oc1ccc(F)cc1 ZINC000161123911 540133526 /nfs/dbraw/zinc/13/35/26/540133526.db2.gz YSKJHPMAIVSDQX-JTQLQIEISA-N 1 0 292.310 2.075 20 70 CEIDRO COc1ccc(Cl)cc1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161119819 540133737 /nfs/dbraw/zinc/13/37/37/540133737.db2.gz HCIXMWHTLREIME-STQMWFEESA-N 1 0 296.798 2.277 20 70 CEIDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)sc1C ZINC000161379269 540137715 /nfs/dbraw/zinc/13/77/15/540137715.db2.gz MRHDLCDMUPKRTH-QWRGUYRKSA-N 1 0 252.383 2.365 20 70 CEIDRO CCC[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000161446051 540138186 /nfs/dbraw/zinc/13/81/86/540138186.db2.gz VYIAQSOFJONHAN-NSHDSACASA-N 1 0 250.342 2.391 20 70 CEIDRO CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C12CCCCC2 ZINC000161177786 540135388 /nfs/dbraw/zinc/13/53/88/540135388.db2.gz MYFIJPIEYJKDOG-QPSCCSFWSA-N 1 0 294.439 2.358 20 70 CEIDRO CC(C)C[NH+](CCCCS(C)(=O)=O)CC(C)C ZINC000161419919 540819839 /nfs/dbraw/zinc/81/98/39/540819839.db2.gz HPLQXFULFJHZKR-UHFFFAOYSA-N 1 0 263.447 2.425 20 70 CEIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000161162853 283598305 /nfs/dbraw/zinc/59/83/05/283598305.db2.gz FCJZMXAEEZFSDO-RBSFLKMASA-N 1 0 276.355 2.140 20 70 CEIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c(F)cccc1F ZINC000159688005 366939989 /nfs/dbraw/zinc/93/99/89/366939989.db2.gz YIPFCYLYHVPNGV-ZJUUUORDSA-N 1 0 268.307 2.051 20 70 CEIDRO CCS[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C(C)C ZINC000159698995 366940159 /nfs/dbraw/zinc/94/01/59/366940159.db2.gz JZRZEEXMFGHFOZ-XQQFMLRXSA-N 1 0 270.442 2.117 20 70 CEIDRO CCN(CCc1nccs1)CC(=O)Nc1nccs1 ZINC000159418704 366910022 /nfs/dbraw/zinc/91/00/22/366910022.db2.gz JUPRJFPPNXYFSB-UHFFFAOYSA-N 1 0 296.421 2.103 20 70 CEIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C2([NH3+])CC2)cc1 ZINC000159529473 366923045 /nfs/dbraw/zinc/92/30/45/366923045.db2.gz UNVXYUNZDXCANW-GJZGRUSLSA-N 1 0 288.391 2.070 20 70 CEIDRO Cc1ccc2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)ccc2n1 ZINC000159544018 366924069 /nfs/dbraw/zinc/92/40/69/366924069.db2.gz IQMHVGHDZPLNRG-CYBMUJFWSA-N 1 0 283.375 2.225 20 70 CEIDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1-n1cccn1 ZINC000159592514 366929804 /nfs/dbraw/zinc/92/98/04/366929804.db2.gz KQBRBYZALZFLQB-UONOGXRCSA-N 1 0 298.390 2.049 20 70 CEIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159591987 366930005 /nfs/dbraw/zinc/93/00/05/366930005.db2.gz XOSIMPIGZODFMZ-JSGCOSHPSA-N 1 0 286.379 2.177 20 70 CEIDRO C[C@@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1cccs1 ZINC000159627906 366934223 /nfs/dbraw/zinc/93/42/23/366934223.db2.gz YFDSUEDNXKYFSL-AGIUHOORSA-N 1 0 296.436 2.018 20 70 CEIDRO CCC[C@H](CC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159777155 366948216 /nfs/dbraw/zinc/94/82/16/366948216.db2.gz HUOGIMWHWAPOJG-ZDUSSCGKSA-N 1 0 255.406 2.302 20 70 CEIDRO CC(C)N(C)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159897303 366957869 /nfs/dbraw/zinc/95/78/69/366957869.db2.gz OJAIEJHPYTVVDU-UHFFFAOYSA-N 1 0 283.441 2.263 20 70 CEIDRO CC(C)([NH3+])CNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000159976898 366962276 /nfs/dbraw/zinc/96/22/76/366962276.db2.gz UYBGNSZMXPFLCV-UHFFFAOYSA-N 1 0 291.178 2.226 20 70 CEIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160100068 366973897 /nfs/dbraw/zinc/97/38/97/366973897.db2.gz XXYVIUOKRHRPTG-GFCCVEGCSA-N 1 0 277.403 2.036 20 70 CEIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H](C)[NH3+])s2)c1 ZINC000160116337 366975067 /nfs/dbraw/zinc/97/50/67/366975067.db2.gz ORZSSQOKWGQCMF-SECBINFHSA-N 1 0 276.365 2.108 20 70 CEIDRO CO[C@]1(C[NH2+]C[C@@H]2CSc3ccccc32)CCOC1 ZINC000160269761 366989205 /nfs/dbraw/zinc/98/92/05/366989205.db2.gz DJTQAIKCVXSZEJ-DOMZBBRYSA-N 1 0 279.405 2.271 20 70 CEIDRO COCCOc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160606535 367022771 /nfs/dbraw/zinc/02/27/71/367022771.db2.gz CMQYWTCTIAWNAC-LBPRGKRZSA-N 1 0 267.369 2.133 20 70 CEIDRO COc1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)ccc1F ZINC000160351188 366998287 /nfs/dbraw/zinc/99/82/87/366998287.db2.gz YBXGZRSOZDBBLU-CQSZACIVSA-N 1 0 266.316 2.163 20 70 CEIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000160375349 367001189 /nfs/dbraw/zinc/00/11/89/367001189.db2.gz PKJYVQPOWNPANX-UKRRQHHQSA-N 1 0 288.391 2.153 20 70 CEIDRO COc1cc(C)nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000160428139 367004976 /nfs/dbraw/zinc/00/49/76/367004976.db2.gz BMNOGAOIWPIXAD-TZMCWYRMSA-N 1 0 264.369 2.134 20 70 CEIDRO CCOc1cccc(C(=O)NCC([NH3+])(CC)CC)c1 ZINC000160511522 367012180 /nfs/dbraw/zinc/01/21/80/367012180.db2.gz SACWVVYUJJZEFL-UHFFFAOYSA-N 1 0 264.369 2.333 20 70 CEIDRO Cc1c(CNC(=O)[C@@H]2CCC[NH2+]C2)oc2ccccc12 ZINC000160818252 367034829 /nfs/dbraw/zinc/03/48/29/367034829.db2.gz JMDBFYGGNCUYCX-GFCCVEGCSA-N 1 0 272.348 2.357 20 70 CEIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2(C)CCC2)C1 ZINC000160825448 367037259 /nfs/dbraw/zinc/03/72/59/367037259.db2.gz PWTOUCFHQYBWFF-CYBMUJFWSA-N 1 0 267.417 2.349 20 70 CEIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000160893214 367041174 /nfs/dbraw/zinc/04/11/74/367041174.db2.gz APWSXYPUAGHQAA-UMVBOHGHSA-N 1 0 260.381 2.294 20 70 CEIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)Oc1cccc(C)c1 ZINC000161168262 367063419 /nfs/dbraw/zinc/06/34/19/367063419.db2.gz LWWYQTYHDLOXCZ-GZBFAFLISA-N 1 0 278.396 2.252 20 70 CEIDRO Cc1ccc2c(C[NH+]3CCC(C)(O)CC3)cc(=O)oc2c1 ZINC000161212698 367068042 /nfs/dbraw/zinc/06/80/42/367068042.db2.gz ASQJHQDOTDCRHY-UHFFFAOYSA-N 1 0 287.359 2.448 20 70 CEIDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1C)c1ccco1 ZINC000161267751 367072753 /nfs/dbraw/zinc/07/27/53/367072753.db2.gz HKWVLXGNUVXMKG-OAHLLOKOSA-N 1 0 290.411 2.494 20 70 CEIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC2(CCC2)C1 ZINC000160705215 367028303 /nfs/dbraw/zinc/02/83/03/367028303.db2.gz DLROKOKWPVNTKJ-CYBMUJFWSA-N 1 0 277.412 2.056 20 70 CEIDRO C[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCS1 ZINC000160707920 367028743 /nfs/dbraw/zinc/02/87/43/367028743.db2.gz PIYQPZCJQIAUFJ-DOMZBBRYSA-N 1 0 297.468 2.056 20 70 CEIDRO C[C@@H]([NH2+]CCOCCOc1ccccc1)[C@H]1CCOC1 ZINC000160733957 367029946 /nfs/dbraw/zinc/02/99/46/367029946.db2.gz ZIVBMGLOLOWTBX-CABCVRRESA-N 1 0 279.380 2.097 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2cccc(OC(C)C)c2)C1 ZINC000160727123 367030198 /nfs/dbraw/zinc/03/01/98/367030198.db2.gz HGHUPPMEJYTZQY-MVGZEHJDSA-N 1 0 288.391 2.307 20 70 CEIDRO CC[C@@H](COC)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160771952 367032810 /nfs/dbraw/zinc/03/28/10/367032810.db2.gz LMBDTBMCXIIYPI-JKSUJKDBSA-N 1 0 290.407 2.365 20 70 CEIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccco1 ZINC000161410770 367083439 /nfs/dbraw/zinc/08/34/39/367083439.db2.gz ODFZIXBFEMUVGB-JSGCOSHPSA-N 1 0 264.369 2.454 20 70 CEIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)N(C)C ZINC000161471011 367089240 /nfs/dbraw/zinc/08/92/40/367089240.db2.gz KSRQUHNJTUNGHJ-GFCCVEGCSA-N 1 0 294.395 2.002 20 70 CEIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc([S@](C)=O)cc1 ZINC000161492207 367090305 /nfs/dbraw/zinc/09/03/05/367090305.db2.gz TWDPCBGPPNSGOI-CWTRNNRKSA-N 1 0 280.437 2.169 20 70 CEIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000217850555 370201944 /nfs/dbraw/zinc/20/19/44/370201944.db2.gz PSWRWCYGVXCSKP-HNNXBMFYSA-N 1 0 291.420 2.076 20 70 CEIDRO CCc1ncnc(NC[C@@H](C)C[NH+]2CCCC2)c1F ZINC000217979952 370202223 /nfs/dbraw/zinc/20/22/23/370202223.db2.gz FGPWXCHWSCQLAD-LLVKDONJSA-N 1 0 266.364 2.322 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cc(OC)c(O)c(OC)c1 ZINC000217887028 370202755 /nfs/dbraw/zinc/20/27/55/370202755.db2.gz OCSHICJFHGXSFT-LBPRGKRZSA-N 1 0 296.411 2.229 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)CCSc2ccc(C)cc2)C1 ZINC000160548611 532956652 /nfs/dbraw/zinc/95/66/52/532956652.db2.gz FHMDKLGYEXYYML-CYBMUJFWSA-N 1 0 278.421 2.298 20 70 CEIDRO CCOC(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)OCC ZINC000216768529 394453053 /nfs/dbraw/zinc/45/30/53/394453053.db2.gz DUMHJNJKPRUTEJ-CHWSQXEVSA-N 1 0 257.374 2.029 20 70 CEIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000159384742 395058369 /nfs/dbraw/zinc/05/83/69/395058369.db2.gz WQGCWNRHSKCDPD-OUJBWJOFSA-N 1 0 280.318 2.079 20 70 CEIDRO CC1CCC(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000159706318 395059565 /nfs/dbraw/zinc/05/95/65/395059565.db2.gz AUYJGKNLINWVCV-YIOUJQMASA-N 1 0 252.402 2.399 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000160934216 395061595 /nfs/dbraw/zinc/06/15/95/395061595.db2.gz NATCTUZFSOKEER-GFCCVEGCSA-N 1 0 264.369 2.407 20 70 CEIDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000160120613 296578253 /nfs/dbraw/zinc/57/82/53/296578253.db2.gz ZPFHJMLBZIVIGF-NZYIEUEFSA-N 1 0 276.424 2.173 20 70 CEIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C12CCCC2 ZINC000159558769 286271048 /nfs/dbraw/zinc/27/10/48/286271048.db2.gz JVNTURLEVSYMMW-BFHYXJOUSA-N 1 0 282.428 2.214 20 70 CEIDRO CC[C@H](COC)[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000159935087 162320735 /nfs/dbraw/zinc/32/07/35/162320735.db2.gz GOQSLMSODOPXHK-UKRRQHHQSA-N 1 0 262.397 2.452 20 70 CEIDRO CCN(CC)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160131100 162322890 /nfs/dbraw/zinc/32/28/90/162322890.db2.gz DXTCZXDBGPKFPI-CQSZACIVSA-N 1 0 267.417 2.399 20 70 CEIDRO CCCOc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160288948 165033353 /nfs/dbraw/zinc/03/33/53/165033353.db2.gz STLHWWMXANGKPM-GASCZTMLSA-N 1 0 288.391 2.442 20 70 CEIDRO COc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000216649902 414843128 /nfs/dbraw/zinc/84/31/28/414843128.db2.gz YYKUNGYIOCRQRD-SGMGOOAPSA-N 1 0 289.379 2.205 20 70 CEIDRO C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160133458 261205712 /nfs/dbraw/zinc/20/57/12/261205712.db2.gz APCZUJATJHXKST-OCCSQVGLSA-N 1 0 278.371 2.215 20 70 CEIDRO COc1ncc(Cl)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000160244770 274169242 /nfs/dbraw/zinc/16/92/42/274169242.db2.gz DCWPHCLXFDLCCL-VHSXEESVSA-N 1 0 282.775 2.177 20 70 CEIDRO CC(C)c1ccc(OCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160314478 276055200 /nfs/dbraw/zinc/05/52/00/276055200.db2.gz FBXGGJQFTSRQQR-AWEZNQCLSA-N 1 0 276.380 2.139 20 70 CEIDRO CCSCC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000159482555 276394631 /nfs/dbraw/zinc/39/46/31/276394631.db2.gz IQHKLYUBNLTSOE-CQSZACIVSA-N 1 0 278.421 2.303 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1OC ZINC000161202351 277027003 /nfs/dbraw/zinc/02/70/03/277027003.db2.gz DEUGZCHJXBYLCS-KGLIPLIRSA-N 1 0 290.407 2.399 20 70 CEIDRO CC(C)C[NH+]1CCN(C(=O)N2CCC(C)CC2)CC1 ZINC000160520302 277400266 /nfs/dbraw/zinc/40/02/66/277400266.db2.gz MKLXNLIORHMEQF-UHFFFAOYSA-N 1 0 267.417 2.112 20 70 CEIDRO COC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159841763 292836465 /nfs/dbraw/zinc/83/64/65/292836465.db2.gz PTSWYZXFKJXQIO-RDTXWAMCSA-N 1 0 288.435 2.448 20 70 CEIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000218219097 293621619 /nfs/dbraw/zinc/62/16/19/293621619.db2.gz ZLSBNXPTTMCZMW-VNHYZAJKSA-N 1 0 263.385 2.345 20 70 CEIDRO COC(=O)c1ccc(NC(=O)CC[NH2+]C(C)C)cc1Cl ZINC000161061854 297440822 /nfs/dbraw/zinc/44/08/22/297440822.db2.gz BEACXHQTKLXPRQ-UHFFFAOYSA-N 1 0 298.770 2.453 20 70 CEIDRO C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160327971 534196599 /nfs/dbraw/zinc/19/65/99/534196599.db2.gz UBEHJJWYFMLVQH-QWHCGFSZSA-N 1 0 278.421 2.365 20 70 CEIDRO CC(C)CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160608610 519613307 /nfs/dbraw/zinc/61/33/07/519613307.db2.gz PGXXUOMRUGEDJM-BETUJISGSA-N 1 0 252.402 2.412 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2CCCCC2)CC1 ZINC000161216794 519644636 /nfs/dbraw/zinc/64/46/36/519644636.db2.gz CFJSRYUECWMGCD-UHFFFAOYSA-N 1 0 295.471 2.288 20 70 CEIDRO CCN(CC1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160874947 520946484 /nfs/dbraw/zinc/94/64/84/520946484.db2.gz NNWBADVYBDVGFF-CQSZACIVSA-N 1 0 279.428 2.445 20 70 CEIDRO CC[NH+]1CCC(N(C)C(=O)N2CCC(C)CC2)CC1 ZINC000160453687 521555538 /nfs/dbraw/zinc/55/55/38/521555538.db2.gz RQVGNRRAQISYFM-UHFFFAOYSA-N 1 0 267.417 2.254 20 70 CEIDRO CCS(=O)(=O)CCC[NH2+]Cc1cccc2cccnc21 ZINC000159416702 521638280 /nfs/dbraw/zinc/63/82/80/521638280.db2.gz PUIHTSQBQZTQGH-UHFFFAOYSA-N 1 0 292.404 2.149 20 70 CEIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000160465580 522391023 /nfs/dbraw/zinc/39/10/23/522391023.db2.gz MXXGTVUPIMAMPO-LLVKDONJSA-N 1 0 287.190 2.356 20 70 CEIDRO C[C@H]([NH2+]CCOCCOc1ccccc1)C1CCOCC1 ZINC000160752789 525357947 /nfs/dbraw/zinc/35/79/47/525357947.db2.gz UHIAAMMIZNCKOQ-HNNXBMFYSA-N 1 0 293.407 2.487 20 70 CEIDRO COc1cccc(CCC[N@@H+]2CCNC(=O)[C@H]2C(C)C)c1 ZINC000160449421 525885204 /nfs/dbraw/zinc/88/52/04/525885204.db2.gz MPQFRSGHHRJHAV-MRXNPFEDSA-N 1 0 290.407 2.084 20 70 CEIDRO c1cc(O[C@@H]2CCN(CCC[NH+]3CCCCC3)C2)ccn1 ZINC000161419995 526436598 /nfs/dbraw/zinc/43/65/98/526436598.db2.gz OIWJCJDULRSKNJ-QGZVFWFLSA-N 1 0 289.423 2.411 20 70 CEIDRO O=C(CSc1ccc(F)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159379812 527033877 /nfs/dbraw/zinc/03/38/77/527033877.db2.gz AZHSQRVPTWRHIR-OAHLLOKOSA-N 1 0 294.395 2.130 20 70 CEIDRO CCC([NH3+])(CC)CNC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000160422038 574511548 /nfs/dbraw/zinc/51/15/48/574511548.db2.gz MVGFLKQDKKDCAJ-CHWSQXEVSA-N 1 0 270.417 2.215 20 70 CEIDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccsc1 ZINC000159496861 344455091 /nfs/dbraw/zinc/45/50/91/344455091.db2.gz HUOJCMYGUMMOOU-SMDDNHRTSA-N 1 0 278.421 2.452 20 70 CEIDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccsc1 ZINC000160338082 344458339 /nfs/dbraw/zinc/45/83/39/344458339.db2.gz NTNQKCIJBKKBCV-GFCCVEGCSA-N 1 0 296.436 2.079 20 70 CEIDRO Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000161258034 188518340 /nfs/dbraw/zinc/51/83/40/188518340.db2.gz USLBTHFVVBESPM-CQSZACIVSA-N 1 0 274.408 2.341 20 70 CEIDRO Oc1ccccc1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161397188 188525818 /nfs/dbraw/zinc/52/58/18/188525818.db2.gz CBHUNXGAPZPUCL-UHFFFAOYSA-N 1 0 277.364 2.210 20 70 CEIDRO Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1N ZINC000159816246 540103755 /nfs/dbraw/zinc/10/37/55/540103755.db2.gz PONWVYCTKDGJNN-UHFFFAOYSA-N 1 0 287.407 2.181 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000161312198 540136622 /nfs/dbraw/zinc/13/66/22/540136622.db2.gz RZFCAOOCIWNYIK-GJZGRUSLSA-N 1 0 260.381 2.395 20 70 CEIDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000161318261 540136964 /nfs/dbraw/zinc/13/69/64/540136964.db2.gz ZHTOAJYXWRXORL-GHMZBOCLSA-N 1 0 250.317 2.134 20 70 CEIDRO C[C@@H](CNC(=O)CC1([NH3+])CCC1)Oc1cccc(Cl)c1 ZINC000161402638 540137538 /nfs/dbraw/zinc/13/75/38/540137538.db2.gz OJDLASLMHALFQD-NSHDSACASA-N 1 0 296.798 2.495 20 70 CEIDRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000161463423 540138460 /nfs/dbraw/zinc/13/84/60/540138460.db2.gz AATURBPPDXNJNS-DLOVCJGASA-N 1 0 252.383 2.238 20 70 CEIDRO Cc1c(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000159984479 540441573 /nfs/dbraw/zinc/44/15/73/540441573.db2.gz VREMXQYOTOSKRA-OAHLLOKOSA-N 1 0 284.407 2.345 20 70 CEIDRO CC1=C(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCCO1 ZINC000159721050 366943406 /nfs/dbraw/zinc/94/34/06/366943406.db2.gz LLROANCKXZAIAB-ZFWWWQNUSA-N 1 0 278.396 2.014 20 70 CEIDRO CCC(CC)(C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000159378540 366907307 /nfs/dbraw/zinc/90/73/07/366907307.db2.gz QCGUKCVABAFGHQ-UHFFFAOYSA-N 1 0 260.381 2.176 20 70 CEIDRO CCOCCC1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000159408482 366910788 /nfs/dbraw/zinc/91/07/88/366910788.db2.gz KAXGKWJLWQBVJZ-CQSZACIVSA-N 1 0 282.428 2.184 20 70 CEIDRO O=C([C@H]1CSc2ccccc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159419370 366910894 /nfs/dbraw/zinc/91/08/94/366910894.db2.gz QKDIACYAUGULKB-SCRDCRAPSA-N 1 0 288.416 2.229 20 70 CEIDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159431428 366911471 /nfs/dbraw/zinc/91/14/71/366911471.db2.gz WUVLCXCOCYDSLF-SWLSCSKDSA-N 1 0 299.436 2.292 20 70 CEIDRO C[N@@H+](Cc1cccc(Cl)n1)C[C@@H]1CCC[C@@H]1O ZINC000159448588 366914843 /nfs/dbraw/zinc/91/48/43/366914843.db2.gz UYIGNFJWVMEDRL-JQWIXIFHSA-N 1 0 254.761 2.328 20 70 CEIDRO CC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000159617939 366932790 /nfs/dbraw/zinc/93/27/90/366932790.db2.gz GKVKGDVWBXCDSU-IUODEOHRSA-N 1 0 258.365 2.132 20 70 CEIDRO CC(C)C[C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000159859294 366954720 /nfs/dbraw/zinc/95/47/20/366954720.db2.gz GAYYMPLESGMEGF-VXGBXAGGSA-N 1 0 255.406 2.203 20 70 CEIDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1(C)C ZINC000159993155 366963701 /nfs/dbraw/zinc/96/37/01/366963701.db2.gz CVYOKAPUNWGDHQ-CABCVRRESA-N 1 0 274.408 2.322 20 70 CEIDRO CCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159983037 366963825 /nfs/dbraw/zinc/96/38/25/366963825.db2.gz ROKMBHNFCQPGKV-ZFWWWQNUSA-N 1 0 275.396 2.168 20 70 CEIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cnc(C)nc1C ZINC000160085713 366971338 /nfs/dbraw/zinc/97/13/38/366971338.db2.gz VSZNDAQQDQNPAW-NEPJUHHUSA-N 1 0 264.417 2.474 20 70 CEIDRO [NH3+]CCCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000160084994 366971623 /nfs/dbraw/zinc/97/16/23/366971623.db2.gz LWQJEPOGHNAIKW-RYUDHWBXSA-N 1 0 286.297 2.274 20 70 CEIDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000160116402 366975160 /nfs/dbraw/zinc/97/51/60/366975160.db2.gz GCTRYZZKFHYMDK-FQUUOJAGSA-N 1 0 284.444 2.473 20 70 CEIDRO Cc1cc(C)cc(-c2nnc(NC(=O)CC[NH3+])s2)c1 ZINC000160115871 366975476 /nfs/dbraw/zinc/97/54/76/366975476.db2.gz QXOJOBQXNKVZOI-UHFFFAOYSA-N 1 0 276.365 2.109 20 70 CEIDRO Cc1cccc2[nH]c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)nc21 ZINC000160241643 366986380 /nfs/dbraw/zinc/98/63/80/366986380.db2.gz AKHPGJKWUDRYOM-OAHLLOKOSA-N 1 0 288.395 2.074 20 70 CEIDRO CC[C@@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160611557 367022404 /nfs/dbraw/zinc/02/24/04/367022404.db2.gz JYZNPISGMXTSNL-CQSZACIVSA-N 1 0 262.397 2.407 20 70 CEIDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000160498307 367010188 /nfs/dbraw/zinc/01/01/88/367010188.db2.gz DLWHQHQNMSKYLA-JTQLQIEISA-N 1 0 284.787 2.163 20 70 CEIDRO Cc1ncsc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160532391 367013122 /nfs/dbraw/zinc/01/31/22/367013122.db2.gz RHVBRHSOMFRZBR-GFCCVEGCSA-N 1 0 281.425 2.302 20 70 CEIDRO CC(=O)Nc1ccccc1C[NH2+]Cc1ccn(C)c1 ZINC000160521139 367013728 /nfs/dbraw/zinc/01/37/28/367013728.db2.gz DQDIXGYUJDJJCB-UHFFFAOYSA-N 1 0 257.337 2.273 20 70 CEIDRO CC(C)S(=O)(=O)CCC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000160790813 367034454 /nfs/dbraw/zinc/03/44/54/367034454.db2.gz AXLCUXCJNAACMW-LBPRGKRZSA-N 1 0 273.442 2.463 20 70 CEIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000160878309 367040160 /nfs/dbraw/zinc/04/01/60/367040160.db2.gz SKOQIZZFGWPCGE-ZDUSSCGKSA-N 1 0 270.336 2.128 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160913349 367042236 /nfs/dbraw/zinc/04/22/36/367042236.db2.gz YABZIIQUDVQDAY-HNNXBMFYSA-N 1 0 260.381 2.122 20 70 CEIDRO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000160972995 367047325 /nfs/dbraw/zinc/04/73/25/367047325.db2.gz IEEHCFJZLWXWGA-HUUCEWRRSA-N 1 0 292.423 2.117 20 70 CEIDRO CC(C)[NH+]1CCC(NC(=O)c2ccnc(Cl)c2F)CC1 ZINC000161075526 367053703 /nfs/dbraw/zinc/05/37/03/367053703.db2.gz JCBOOVRUDBCNME-UHFFFAOYSA-N 1 0 299.777 2.477 20 70 CEIDRO CCO[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000161088138 367055128 /nfs/dbraw/zinc/05/51/28/367055128.db2.gz DCUBBVDJFCXITC-MRXNPFEDSA-N 1 0 290.407 2.389 20 70 CEIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(O)cc1Cl ZINC000161089800 367056793 /nfs/dbraw/zinc/05/67/93/367056793.db2.gz ACTKZMYRZPIAKN-GFCCVEGCSA-N 1 0 296.798 2.189 20 70 CEIDRO CCO[C@H]1C[C@@H](NC(=O)CC[NH2+]C(C)C)C12CCCC2 ZINC000161112612 367058220 /nfs/dbraw/zinc/05/82/20/367058220.db2.gz CTWBWXOOMNRQJQ-KGLIPLIRSA-N 1 0 282.428 2.229 20 70 CEIDRO CC[N@H+](CCCOCC(F)(F)F)Cc1cnn(C)c1 ZINC000161135890 367061004 /nfs/dbraw/zinc/06/10/04/367061004.db2.gz OIEVBAABLFEESV-UHFFFAOYSA-N 1 0 279.306 2.211 20 70 CEIDRO C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)Oc1cccc(F)c1 ZINC000161148780 367062808 /nfs/dbraw/zinc/06/28/08/367062808.db2.gz MGSJZOJPFCXLBV-GXFFZTMASA-N 1 0 282.359 2.083 20 70 CEIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCO[C@H](C)CC(C)C ZINC000161358768 367081717 /nfs/dbraw/zinc/08/17/17/367081717.db2.gz MVPGOLLZMGRWRT-KGLIPLIRSA-N 1 0 270.417 2.038 20 70 CEIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000161182597 367065261 /nfs/dbraw/zinc/06/52/61/367065261.db2.gz CUGVSPBKKVPLDA-BBRMVZONSA-N 1 0 288.395 2.070 20 70 CEIDRO O[C@H](C1CC[NH+](CCc2ccncc2)CC1)C(F)(F)F ZINC000161236688 367070431 /nfs/dbraw/zinc/07/04/31/367070431.db2.gz SEZDFKLWCCNVIO-CYBMUJFWSA-N 1 0 288.313 2.259 20 70 CEIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccnc(Cl)c1F ZINC000161225041 367070730 /nfs/dbraw/zinc/07/07/30/367070730.db2.gz DABUUADEUVOPJJ-UHFFFAOYSA-N 1 0 297.761 2.231 20 70 CEIDRO CSCC[C@H]([NH3+])C(=O)NCC1(CC(C)C)CCC1 ZINC000160678754 367027368 /nfs/dbraw/zinc/02/73/68/367027368.db2.gz TXZOSJSBVJHOCB-LBPRGKRZSA-N 1 0 272.458 2.399 20 70 CEIDRO C[C@]1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCS1 ZINC000160707547 367027776 /nfs/dbraw/zinc/02/77/76/367027776.db2.gz PIYQPZCJQIAUFJ-SWLSCSKDSA-N 1 0 297.468 2.056 20 70 CEIDRO CC[C@H](C)OCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000160752325 367031264 /nfs/dbraw/zinc/03/12/64/367031264.db2.gz UKKHOUNDBWVIEC-IHRRRGAJSA-N 1 0 270.417 2.038 20 70 CEIDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cnn(C)c1 ZINC000161416736 367084916 /nfs/dbraw/zinc/08/49/16/367084916.db2.gz LVSNZRRHCWWENS-HZPDHXFCSA-N 1 0 273.380 2.237 20 70 CEIDRO CCOc1cc(C[NH2+]CCN(CC)C2CC2)ccc1O ZINC000217498137 370196885 /nfs/dbraw/zinc/19/68/85/370196885.db2.gz GKQJXKZVCYPFQS-UHFFFAOYSA-N 1 0 278.396 2.365 20 70 CEIDRO CCOc1cc(C[NH2+]C[C@H](C)N(C)C2CC2)ccc1O ZINC000217609015 370197920 /nfs/dbraw/zinc/19/79/20/370197920.db2.gz ZBNCDUJHEDKQPE-LBPRGKRZSA-N 1 0 278.396 2.363 20 70 CEIDRO COCc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000218090696 370205275 /nfs/dbraw/zinc/20/52/75/370205275.db2.gz CXKLKKFWECKYMT-UHFFFAOYSA-N 1 0 294.395 2.447 20 70 CEIDRO Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C[NH3+])cc1C ZINC000160244689 249318975 /nfs/dbraw/zinc/31/89/75/249318975.db2.gz WKKCRNHZHRZAQS-HNNXBMFYSA-N 1 0 288.391 2.216 20 70 CEIDRO CCCCN(CCCC)C(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161206834 249319399 /nfs/dbraw/zinc/31/93/99/249319399.db2.gz SUKAGZLOLMSPOI-UHFFFAOYSA-N 1 0 284.444 2.262 20 70 CEIDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159495659 395058672 /nfs/dbraw/zinc/05/86/72/395058672.db2.gz SRIISJZOUNWYQH-JSGCOSHPSA-N 1 0 299.436 2.292 20 70 CEIDRO CC(C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000160877070 395062185 /nfs/dbraw/zinc/06/21/85/395062185.db2.gz GHSMIOZIJDBDNQ-GXTWGEPZSA-N 1 0 256.365 2.115 20 70 CEIDRO COCCOCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218081461 153302454 /nfs/dbraw/zinc/30/24/54/153302454.db2.gz YPTSTZZTTWROLB-UHFFFAOYSA-N 1 0 262.353 2.311 20 70 CEIDRO CC[C@@H](C)[C@H](C)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159750370 162313816 /nfs/dbraw/zinc/31/38/16/162313816.db2.gz PEEGACFSQGXKQT-OLZOCXBDSA-N 1 0 255.406 2.158 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)NCC2(C)CCCC2)CC1 ZINC000159837333 162314978 /nfs/dbraw/zinc/31/49/78/162314978.db2.gz WUQITFSOWWZNPJ-UHFFFAOYSA-N 1 0 267.417 2.304 20 70 CEIDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1F ZINC000159995272 162318614 /nfs/dbraw/zinc/31/86/14/162318614.db2.gz UEHMNSPBRWKEEH-BETUJISGSA-N 1 0 290.382 2.456 20 70 CEIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])nc2ccccc12 ZINC000160160436 162324365 /nfs/dbraw/zinc/32/43/65/162324365.db2.gz XTVGFWOMDMECJD-LBPRGKRZSA-N 1 0 269.348 2.107 20 70 CEIDRO Fc1cc(Cl)ccc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000160855435 162327501 /nfs/dbraw/zinc/32/75/01/162327501.db2.gz SVGYKBVYTGIKEN-KGLIPLIRSA-N 1 0 298.789 2.432 20 70 CEIDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(F)cc2F)C1 ZINC000160131419 261205529 /nfs/dbraw/zinc/20/55/29/261205529.db2.gz YFGSQCJUZIUQSO-LBPRGKRZSA-N 1 0 296.361 2.355 20 70 CEIDRO CC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000218188281 278234671 /nfs/dbraw/zinc/23/46/71/278234671.db2.gz QBEVKVBQWGKVRL-JGGQBBKZSA-N 1 0 282.428 2.227 20 70 CEIDRO C[C@H](NC1CC[NH+](C)CC1)c1cccnc1Cl ZINC000161453290 278253942 /nfs/dbraw/zinc/25/39/42/278253942.db2.gz GBMVQDZQDNJFOE-JTQLQIEISA-N 1 0 253.777 2.480 20 70 CEIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3ccccc31)CC2 ZINC000160372045 279144307 /nfs/dbraw/zinc/14/43/07/279144307.db2.gz FQJLVCZGIJWIOG-HIFRSBDPSA-N 1 0 268.364 2.178 20 70 CEIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159729318 297430308 /nfs/dbraw/zinc/43/03/08/297430308.db2.gz SCNLZMJOQXBCNA-FUHWJXTLSA-N 1 0 294.398 2.403 20 70 CEIDRO CS[C@H](C)CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000159785726 297430669 /nfs/dbraw/zinc/43/06/69/297430669.db2.gz FUTIJYUFSUSNEP-QWHCGFSZSA-N 1 0 287.473 2.158 20 70 CEIDRO CN1C(=O)C[C@@H]([NH2+]CC2(CO)CCCC2)c2ccccc21 ZINC000160064459 297433190 /nfs/dbraw/zinc/43/31/90/297433190.db2.gz XNXYCMQCFVVDLQ-CQSZACIVSA-N 1 0 288.391 2.237 20 70 CEIDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000160123126 297433725 /nfs/dbraw/zinc/43/37/25/297433725.db2.gz YLQRJSHZIGHXMA-ZDUSSCGKSA-N 1 0 298.427 2.138 20 70 CEIDRO CC(C)[NH2+]CCC(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000161020928 297440244 /nfs/dbraw/zinc/44/02/44/297440244.db2.gz IHWSUUFURPPYTF-MFKMUULPSA-N 1 0 282.334 2.325 20 70 CEIDRO OC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000161487166 297445515 /nfs/dbraw/zinc/44/55/15/297445515.db2.gz HPYIAHVGKHXFSF-AWEZNQCLSA-N 1 0 298.377 2.082 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000160960061 519708722 /nfs/dbraw/zinc/70/87/22/519708722.db2.gz MNFYDJLPCZFDKP-JTQLQIEISA-N 1 0 266.410 2.412 20 70 CEIDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000160871583 521499581 /nfs/dbraw/zinc/49/95/81/521499581.db2.gz IPHCBRSEKZEOBM-OAHLLOKOSA-N 1 0 286.423 2.498 20 70 CEIDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3ccccn23)[C@H](C)C1 ZINC000160592238 521713490 /nfs/dbraw/zinc/71/34/90/521713490.db2.gz UZFRDZJSPDBLPH-GDBMZVCRSA-N 1 0 286.423 2.496 20 70 CEIDRO COC(=O)C1(N(C)CCC[NH+]2CCCCC2)CCCC1 ZINC000161443235 522837820 /nfs/dbraw/zinc/83/78/20/522837820.db2.gz RHXLTEWNIRPKPX-UHFFFAOYSA-N 1 0 282.428 2.280 20 70 CEIDRO C[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cnccn1 ZINC000160609592 525411361 /nfs/dbraw/zinc/41/13/61/525411361.db2.gz BHSOUZZVUAAMBP-NWDGAFQWSA-N 1 0 282.347 2.253 20 70 CEIDRO CCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159485215 527712710 /nfs/dbraw/zinc/71/27/10/527712710.db2.gz KUIBHYATZRGQJR-UHFFFAOYSA-N 1 0 255.406 2.158 20 70 CEIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCS1 ZINC000159621287 528896733 /nfs/dbraw/zinc/89/67/33/528896733.db2.gz QYOINBHFEUGBJS-AWEZNQCLSA-N 1 0 287.473 2.254 20 70 CEIDRO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(C)n1 ZINC000160521005 282164549 /nfs/dbraw/zinc/16/45/49/282164549.db2.gz YWKXKEMBKQBYKS-YVLXSGLVSA-N 1 0 263.385 2.295 20 70 CEIDRO C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000159514981 344454966 /nfs/dbraw/zinc/45/49/66/344454966.db2.gz JLCIWXNRFWZYRS-NEPJUHHUSA-N 1 0 266.410 2.310 20 70 CEIDRO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159718637 344455790 /nfs/dbraw/zinc/45/57/90/344455790.db2.gz NOROLOYUKAXOMS-KBPBESRZSA-N 1 0 250.386 2.119 20 70 CEIDRO CCCCOCCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000160311409 344458271 /nfs/dbraw/zinc/45/82/71/344458271.db2.gz OGNDJCMGIQODIF-INIZCTEOSA-N 1 0 290.407 2.196 20 70 CEIDRO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC000218514922 344536875 /nfs/dbraw/zinc/53/68/75/344536875.db2.gz PDMHDGMQFSOMPN-UHFFFAOYSA-N 1 0 284.425 2.167 20 70 CEIDRO Cc1cc(C(=O)NCC2([NH3+])CCCCC2)nn1C(C)(C)C ZINC000159573270 232247986 /nfs/dbraw/zinc/24/79/86/232247986.db2.gz CZVLCPWWWGPBAS-UHFFFAOYSA-N 1 0 292.427 2.338 20 70 CEIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])cc(C)c1OC(F)F ZINC000160097147 188455096 /nfs/dbraw/zinc/45/50/96/188455096.db2.gz BZVVUYAWMLIIKT-UHFFFAOYSA-N 1 0 286.322 2.372 20 70 CEIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000160477845 188475203 /nfs/dbraw/zinc/47/52/03/188475203.db2.gz BCTJEKIPKWRCPX-NWDGAFQWSA-N 1 0 287.363 2.374 20 70 CEIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)CC2 ZINC000160537948 188479364 /nfs/dbraw/zinc/47/93/64/188479364.db2.gz DGPIVLZZZPPAMO-RISCZKNCSA-N 1 0 288.399 2.030 20 70 CEIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000160376255 188468659 /nfs/dbraw/zinc/46/86/59/188468659.db2.gz NPQDBFHYJFSWQY-RDBSUJKOSA-N 1 0 288.391 2.139 20 70 CEIDRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC[NH3+])C1 ZINC000161042604 188504368 /nfs/dbraw/zinc/50/43/68/188504368.db2.gz NEAUPWXHMURANB-ZWNOBZJWSA-N 1 0 250.317 2.084 20 70 CEIDRO CCCn1nccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160187472 540112997 /nfs/dbraw/zinc/11/29/97/540112997.db2.gz WAPZYMOFEZDOSK-UONOGXRCSA-N 1 0 262.401 2.010 20 70 CEIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000160196956 540113221 /nfs/dbraw/zinc/11/32/21/540113221.db2.gz AJNOSVMSWYHYAQ-CYBMUJFWSA-N 1 0 287.787 2.094 20 70 CEIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000160878155 540126522 /nfs/dbraw/zinc/12/65/22/540126522.db2.gz PHFVDSAIMSETDK-OLZOCXBDSA-N 1 0 285.347 2.341 20 70 CEIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000160758676 540122575 /nfs/dbraw/zinc/12/25/75/540122575.db2.gz PJZWUXOTZAGIJY-RYUDHWBXSA-N 1 0 273.380 2.044 20 70 CEIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC000161032099 540130978 /nfs/dbraw/zinc/13/09/78/540130978.db2.gz PISUNUITLSNWII-VXGBXAGGSA-N 1 0 276.355 2.243 20 70 CEIDRO CC(C)Oc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161255007 540135627 /nfs/dbraw/zinc/13/56/27/540135627.db2.gz AKOWYCBVACPFMR-QWHCGFSZSA-N 1 0 276.380 2.474 20 70 CEIDRO C[C@H](CNC(=O)CC1([NH3+])CCC1)Oc1cccc(Cl)c1 ZINC000161402762 540137673 /nfs/dbraw/zinc/13/76/73/540137673.db2.gz OJDLASLMHALFQD-LLVKDONJSA-N 1 0 296.798 2.495 20 70 CEIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1 ZINC000159506138 540413487 /nfs/dbraw/zinc/41/34/87/540413487.db2.gz SSWWVXFAIODXLV-KFWWJZLASA-N 1 0 258.365 2.437 20 70 CEIDRO CC[C@@H](CCO)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000160105545 540444935 /nfs/dbraw/zinc/44/49/35/540444935.db2.gz SIBGDJVGRCCHJY-LBPRGKRZSA-N 1 0 282.384 2.012 20 70 CEIDRO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000159711744 366941435 /nfs/dbraw/zinc/94/14/35/366941435.db2.gz LYQQYNHRSFWJFP-GJZGRUSLSA-N 1 0 296.455 2.430 20 70 CEIDRO C[NH2+]C[C@@H](C)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000159705613 366941447 /nfs/dbraw/zinc/94/14/47/366941447.db2.gz HPLUIDYKJMZVKD-LLVKDONJSA-N 1 0 266.360 2.075 20 70 CEIDRO C[C@]1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCCS1 ZINC000159731997 366943077 /nfs/dbraw/zinc/94/30/77/366943077.db2.gz UAPWPMSNOJIQAE-OAHLLOKOSA-N 1 0 297.468 2.198 20 70 CEIDRO O=C(N1CC[NH2+]CC1)C1(c2cccs2)CCCCC1 ZINC000159406084 366909097 /nfs/dbraw/zinc/90/90/97/366909097.db2.gz MGNSBLFBVJZPRF-UHFFFAOYSA-N 1 0 278.421 2.382 20 70 CEIDRO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159452527 366914725 /nfs/dbraw/zinc/91/47/25/366914725.db2.gz NBPZYCGAMBBJJM-XUJVJEKNSA-N 1 0 294.370 2.246 20 70 CEIDRO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3F)c2)C1 ZINC000159481688 366918428 /nfs/dbraw/zinc/91/84/28/366918428.db2.gz KLKJNFOCCSDSGL-WDEREUQCSA-N 1 0 288.326 2.077 20 70 CEIDRO C[N@H+](Cc1ccc(C(C)(C)C)cc1)CC(C)(CO)CO ZINC000159535067 366924003 /nfs/dbraw/zinc/92/40/03/366924003.db2.gz GQHIWEJTQBPNEC-UHFFFAOYSA-N 1 0 279.424 2.407 20 70 CEIDRO COC[C@@H](C)C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000159548938 366925618 /nfs/dbraw/zinc/92/56/18/366925618.db2.gz RMUAGHBQYLAGHC-NSHDSACASA-N 1 0 253.342 2.115 20 70 CEIDRO CC(C)[C@@H](C(=O)N[C@H](C)CNc1ccccc1)[NH+](C)C ZINC000159585179 366930080 /nfs/dbraw/zinc/93/00/80/366930080.db2.gz BYKXEFUOEGZKAW-HIFRSBDPSA-N 1 0 277.412 2.189 20 70 CEIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000159639298 366934159 /nfs/dbraw/zinc/93/41/59/366934159.db2.gz INIICTIMALEGFD-CZUORRHYSA-N 1 0 278.371 2.086 20 70 CEIDRO CC(C)(NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000159643750 366935517 /nfs/dbraw/zinc/93/55/17/366935517.db2.gz LESQMGNFXOHVHY-ZDUSSCGKSA-N 1 0 264.344 2.319 20 70 CEIDRO Cc1ncsc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159648339 366935662 /nfs/dbraw/zinc/93/56/62/366935662.db2.gz VDJOZAALXLOPET-RTXFEEFZSA-N 1 0 264.394 2.499 20 70 CEIDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1C ZINC000159808116 366949004 /nfs/dbraw/zinc/94/90/04/366949004.db2.gz KQYULEDFNBNOKO-UHFFFAOYSA-N 1 0 260.381 2.391 20 70 CEIDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159813599 366951821 /nfs/dbraw/zinc/95/18/21/366951821.db2.gz LXFMGKZNQKWMJT-UONOGXRCSA-N 1 0 275.396 2.449 20 70 CEIDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1ccnc1 ZINC000159845756 366953199 /nfs/dbraw/zinc/95/31/99/366953199.db2.gz HUHVHYDJDGROFP-KRWDZBQOSA-N 1 0 298.434 2.480 20 70 CEIDRO [NH3+]CCCC(=O)N1CCc2ccc(Br)cc21 ZINC000159996724 366963784 /nfs/dbraw/zinc/96/37/84/366963784.db2.gz UTIDWDCCPSFBFL-UHFFFAOYSA-N 1 0 283.169 2.077 20 70 CEIDRO CC(C)([NH3+])CNC(=O)CCCc1nc2ccccc2s1 ZINC000160104793 366973447 /nfs/dbraw/zinc/97/34/47/366973447.db2.gz DVPJJPFCSRIYLM-UHFFFAOYSA-N 1 0 291.420 2.473 20 70 CEIDRO CCC1(CC)[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)C[C@@H]1OC ZINC000160112210 366975669 /nfs/dbraw/zinc/97/56/69/366975669.db2.gz NGBSMTBMICOVEA-ILXRZTDVSA-N 1 0 290.407 2.396 20 70 CEIDRO CCc1cc2c(ncnc2N(C)[C@@H](C[NH3+])C2CC2)s1 ZINC000160197478 366982892 /nfs/dbraw/zinc/98/28/92/366982892.db2.gz CYBGVCQEBMWQAK-LBPRGKRZSA-N 1 0 276.409 2.427 20 70 CEIDRO C/C(=C/C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1OC(F)F ZINC000160258752 366987089 /nfs/dbraw/zinc/98/70/89/366987089.db2.gz HURZREBEZTVWIO-HIJJYWJESA-N 1 0 296.317 2.251 20 70 CEIDRO CCC1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160271253 366989065 /nfs/dbraw/zinc/98/90/65/366989065.db2.gz LLIRFHJRSYPAFN-GRDNDAEWSA-N 1 0 294.439 2.168 20 70 CEIDRO CC1CC[NH+](CCNC(=O)NC[C@@]2(C)CCCS2)CC1 ZINC000160273075 366989250 /nfs/dbraw/zinc/98/92/50/366989250.db2.gz DZGVAHXHMQFIDM-OAHLLOKOSA-N 1 0 299.484 2.303 20 70 CEIDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)O ZINC000160595157 367020895 /nfs/dbraw/zinc/02/08/95/367020895.db2.gz GSAWNHFLNDPBCN-LBPRGKRZSA-N 1 0 264.369 2.073 20 70 CEIDRO C[C@H]([NH2+]CC(C)(C)O)c1cnn(Cc2ccccc2)c1 ZINC000160639322 367024298 /nfs/dbraw/zinc/02/42/98/367024298.db2.gz WABUXGAGRYCOAL-ZDUSSCGKSA-N 1 0 273.380 2.353 20 70 CEIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ncccn1 ZINC000160537859 367015437 /nfs/dbraw/zinc/01/54/37/367015437.db2.gz BYVZRYKUNOMGAX-NEPJUHHUSA-N 1 0 264.373 2.172 20 70 CEIDRO [NH3+]C1(C(=O)NCCc2ccc(Cl)nc2)CCCCC1 ZINC000160534496 367015669 /nfs/dbraw/zinc/01/56/69/367015669.db2.gz VDQGVASYVLLSSL-UHFFFAOYSA-N 1 0 281.787 2.055 20 70 CEIDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160553892 367017334 /nfs/dbraw/zinc/01/73/34/367017334.db2.gz CZTNKOCAQLSSGQ-TVQRCGJNSA-N 1 0 286.297 2.188 20 70 CEIDRO CC[C@@H](C)OCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000160904328 367042978 /nfs/dbraw/zinc/04/29/78/367042978.db2.gz FWNIJTPEUXBAFF-CYBMUJFWSA-N 1 0 296.386 2.189 20 70 CEIDRO CC(=O)NC1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000161020302 367049785 /nfs/dbraw/zinc/04/97/85/367049785.db2.gz PVTCWTLUCORTOT-UHFFFAOYSA-N 1 0 278.371 2.405 20 70 CEIDRO CC[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000161044742 367050564 /nfs/dbraw/zinc/05/05/64/367050564.db2.gz HAMVMVCGKUZEIX-LEWSCRJBSA-N 1 0 264.344 2.473 20 70 CEIDRO CCOc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161333367 367079995 /nfs/dbraw/zinc/07/99/95/367079995.db2.gz PZBCSRPNCOPLAU-MRXNPFEDSA-N 1 0 276.380 2.091 20 70 CEIDRO O=C(C[NH2+]CC1CC1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161067696 367053091 /nfs/dbraw/zinc/05/30/91/367053091.db2.gz SZAYDLKAHRTTDG-ZIAGYGMSSA-N 1 0 250.386 2.071 20 70 CEIDRO CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)CCO)c1ccccc1 ZINC000161087560 367055414 /nfs/dbraw/zinc/05/54/14/367055414.db2.gz VWQOYYPXTQSYSS-HOCLYGCPSA-N 1 0 292.423 2.204 20 70 CEIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Cc1cccs1 ZINC000161096186 367056850 /nfs/dbraw/zinc/05/68/50/367056850.db2.gz NOSYIKJBMCBZLW-VXGBXAGGSA-N 1 0 266.410 2.185 20 70 CEIDRO COC(C[NH+]1CCC(Oc2ccc(C)cc2)CC1)OC ZINC000161145404 367062740 /nfs/dbraw/zinc/06/27/40/367062740.db2.gz SEWSOFVECXYHPK-UHFFFAOYSA-N 1 0 279.380 2.457 20 70 CEIDRO Cc1ccc(C)c(NC(=O)CN2CCC(C)(O)CC2)c1 ZINC000161202871 367066330 /nfs/dbraw/zinc/06/63/30/367066330.db2.gz DYLPBZGPSBKZOT-UHFFFAOYSA-N 1 0 276.380 2.089 20 70 CEIDRO CCc1ccc(/C=C/C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)o1 ZINC000161399591 367083266 /nfs/dbraw/zinc/08/32/66/367083266.db2.gz FVPRPASDQPWTBZ-RYYBZQDPSA-N 1 0 276.380 2.406 20 70 CEIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc([S@](C)=O)cc1 ZINC000161492101 367090758 /nfs/dbraw/zinc/09/07/58/367090758.db2.gz TWDPCBGPPNSGOI-HXPMCKFVSA-N 1 0 280.437 2.169 20 70 CEIDRO c1c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc2ccccn12 ZINC000216626135 370190322 /nfs/dbraw/zinc/19/03/22/370190322.db2.gz BPRAMGBJBHZJJK-GJZGRUSLSA-N 1 0 270.380 2.051 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC)c(O)c1 ZINC000217378047 370194876 /nfs/dbraw/zinc/19/48/76/370194876.db2.gz NXIDSOWHUHAJNJ-LBPRGKRZSA-N 1 0 266.385 2.221 20 70 CEIDRO COc1ccccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217644716 370197872 /nfs/dbraw/zinc/19/78/72/370197872.db2.gz GSKIFJKDFBAYMS-CABCVRRESA-N 1 0 260.381 2.412 20 70 CEIDRO c1ccc2nc(CN[C@H]3CC[N@@H+]4CCCC[C@@H]34)cnc2c1 ZINC000218122200 370204835 /nfs/dbraw/zinc/20/48/35/370204835.db2.gz VSZWCNRTQMIJBN-IRXDYDNUSA-N 1 0 282.391 2.346 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C(C)(C)C)CC1 ZINC000159854405 285210377 /nfs/dbraw/zinc/21/03/77/285210377.db2.gz PVEJRAZOUUGVGK-LBPRGKRZSA-N 1 0 255.406 2.158 20 70 CEIDRO CN(C(=O)[C@H]1CSc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159852316 395059512 /nfs/dbraw/zinc/05/95/12/395059512.db2.gz RFTOEUJFFFFDHA-STQMWFEESA-N 1 0 276.405 2.072 20 70 CEIDRO CO[C@@]1(C[NH2+][C@H](C)CCc2ccc(O)cc2)CCOC1 ZINC000160139940 395060192 /nfs/dbraw/zinc/06/01/92/395060192.db2.gz USQBSGLGKRHQAA-CZUORRHYSA-N 1 0 279.380 2.108 20 70 CEIDRO COc1c(C)cnc(C[N@H+](C)C[C@H]2CCCO2)c1C ZINC000160971155 395062693 /nfs/dbraw/zinc/06/26/93/395062693.db2.gz QRKBULUEUGYOCB-CYBMUJFWSA-N 1 0 264.369 2.318 20 70 CEIDRO C[C@H]([NH3+])C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000161182103 395063453 /nfs/dbraw/zinc/06/34/53/395063453.db2.gz WDFLAGBGGBCVFL-DMDPSCGWSA-N 1 0 264.394 2.039 20 70 CEIDRO C[C@@H]([NH3+])C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000161046424 400283874 /nfs/dbraw/zinc/28/38/74/400283874.db2.gz IERQDIZGOLEQPV-BREBYQMCSA-N 1 0 250.317 2.082 20 70 CEIDRO CC[C@H](C)[N@H+](C)CCNCc1cnn(C(C)(C)C)c1 ZINC000217392563 153297577 /nfs/dbraw/zinc/29/75/77/153297577.db2.gz RXJSXIPOQBDECC-ZDUSSCGKSA-N 1 0 266.433 2.458 20 70 CEIDRO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Sc1ccccc1 ZINC000161120226 286858061 /nfs/dbraw/zinc/85/80/61/286858061.db2.gz UPWFWLXQHRJBRQ-QWHCGFSZSA-N 1 0 278.421 2.426 20 70 CEIDRO CN(Cc1ccccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000159687895 162312335 /nfs/dbraw/zinc/31/23/35/162312335.db2.gz HRCYEMHUBKGPAZ-GFCCVEGCSA-N 1 0 270.323 2.457 20 70 CEIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc(C)cs2)CC1 ZINC000159810674 162316721 /nfs/dbraw/zinc/31/67/21/162316721.db2.gz DKWKMDQHHYIKBB-GFCCVEGCSA-N 1 0 296.440 2.250 20 70 CEIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000160326739 162328195 /nfs/dbraw/zinc/32/81/95/162328195.db2.gz JRDHLHGMSFBHAK-INIZCTEOSA-N 1 0 281.359 2.198 20 70 CEIDRO C(CN1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCCCC1 ZINC000161416917 275391231 /nfs/dbraw/zinc/39/12/31/275391231.db2.gz JXIFPDXUFXQYAW-LSDHHAIUSA-N 1 0 284.469 2.069 20 70 CEIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000160926869 275964452 /nfs/dbraw/zinc/96/44/52/275964452.db2.gz JHTFMDKADVNHNH-ZDUSSCGKSA-N 1 0 280.343 2.154 20 70 CEIDRO CC[C@@]1(C)CCCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000160778588 276537211 /nfs/dbraw/zinc/53/72/11/276537211.db2.gz FGWFUHCFNWKHQL-YPMHNXCESA-N 1 0 258.431 2.106 20 70 CEIDRO CC1(C)C[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000161397031 278366625 /nfs/dbraw/zinc/36/66/25/278366625.db2.gz KCRHEDIGNDQNFH-GXTWGEPZSA-N 1 0 288.391 2.405 20 70 CEIDRO CC[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000159816586 280662012 /nfs/dbraw/zinc/66/20/12/280662012.db2.gz UESAKTRRUHKKNR-LSDHHAIUSA-N 1 0 260.381 2.376 20 70 CEIDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CCCn1cccc1 ZINC000159401621 297428649 /nfs/dbraw/zinc/42/86/49/297428649.db2.gz BPMMZEHVELCCRW-OAHLLOKOSA-N 1 0 277.412 2.211 20 70 CEIDRO Cc1ccc(-c2noc(CN(C)[C@H](C[NH3+])C3CC3)n2)cc1 ZINC000160052861 297432399 /nfs/dbraw/zinc/43/23/99/297432399.db2.gz UCKCPJWJUFTQHJ-CQSZACIVSA-N 1 0 286.379 2.214 20 70 CEIDRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160611294 297438820 /nfs/dbraw/zinc/43/88/20/297438820.db2.gz IMJQZOPIIDKSPX-BFUOFWGJSA-N 1 0 281.421 2.471 20 70 CEIDRO COCCC1(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000161029344 297440504 /nfs/dbraw/zinc/44/05/04/297440504.db2.gz DAISRMUIGKJTKB-UHFFFAOYSA-N 1 0 282.428 2.040 20 70 CEIDRO [NH3+]CC1(NC(=O)C2C3CC4CC(C3)CC2C4)CCCC1 ZINC000160199055 303370694 /nfs/dbraw/zinc/37/06/94/303370694.db2.gz AXVFXYMPYHPPSX-UHFFFAOYSA-N 1 0 276.424 2.446 20 70 CEIDRO CC(C)OCC[NH2+]Cc1cncc(Br)c1 ZINC000160595266 519768046 /nfs/dbraw/zinc/76/80/46/519768046.db2.gz HTPFRYSARVEDBR-UHFFFAOYSA-N 1 0 273.174 2.359 20 70 CEIDRO CC(C)(C)c1nsc(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000159661148 519141173 /nfs/dbraw/zinc/14/11/73/519141173.db2.gz CBHDNBWPONJDGI-NSHDSACASA-N 1 0 278.425 2.286 20 70 CEIDRO CCc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)O)CCC2 ZINC000160620898 522473186 /nfs/dbraw/zinc/47/31/86/522473186.db2.gz PFYSIPDDFUAZIF-VIFPVBQESA-N 1 0 254.399 2.443 20 70 CEIDRO COCCN(C)CC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000159416586 523610135 /nfs/dbraw/zinc/61/01/35/523610135.db2.gz BWPRVMUIAQFOGO-SFHVURJKSA-N 1 0 290.451 2.484 20 70 CEIDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000161307431 523960614 /nfs/dbraw/zinc/96/06/14/523960614.db2.gz BUKXIZCWVOCCOH-ZKYQVNSYSA-N 1 0 294.345 2.136 20 70 CEIDRO C[C@H]([NH3+])C(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000161303777 524824303 /nfs/dbraw/zinc/82/43/03/524824303.db2.gz IGXRMQIDKCYHNQ-WMLDXEAASA-N 1 0 298.386 2.408 20 70 CEIDRO C[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cnn(C)c1 ZINC000160616657 525497862 /nfs/dbraw/zinc/49/78/62/525497862.db2.gz WTIIBCWKXJNAMM-VXGBXAGGSA-N 1 0 284.363 2.197 20 70 CEIDRO [NH3+]CC1(C(=O)N2CCS[C@H]3CCCC[C@@H]32)CCCC1 ZINC000161428590 527162342 /nfs/dbraw/zinc/16/23/42/527162342.db2.gz ULMPYJCWEIIHGP-STQMWFEESA-N 1 0 282.453 2.392 20 70 CEIDRO CCOCCC1(C(=O)NCC[NH+](CC)CC)CCC1 ZINC000160552378 528603105 /nfs/dbraw/zinc/60/31/05/528603105.db2.gz CFKVGRIKUGAJDP-UHFFFAOYSA-N 1 0 270.417 2.041 20 70 CEIDRO CC[C@@H]([NH2+]CCO)c1ccccc1Br ZINC000159724214 529166191 /nfs/dbraw/zinc/16/61/91/529166191.db2.gz HFEZXOFRRNRTEJ-LLVKDONJSA-N 1 0 258.159 2.482 20 70 CEIDRO